01787nas a2200313   4500008004100000022001400041245009100055210006900146260006900215300001000284490000700294520075800301653000601059653003201065653003601097653001401133653002401147653002301171653001201194653001801206653001201224653002301236100002501259700001301284700002301297700001201320700002601332856011501358       2005                        eng d  a1369-703X00aNovel enzymatic route for kinetic resolution of (+/-)1,4-benzodioxan-2-carboxylic acid0 aNovel enzymatic route for kinetic resolution of 14benzodioxan2ca  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC  a66-710 v273 aEthyl 1,4-benzodioxan-2-carboxylate is used as an intermediate compound for the production of drug doxazosin mesylate. The title compound was kinetically resolved to get S-enantiomer of ethyl 1,4-benzodioxan 2-carboxylate in a simple lipase catalyzed transesterificafion reaction. Ethyl acetate was used as reaction medium as well as acyl donor. The influence of the enzyme source and time of reaction on the enantio selectivity of product were studied. Lipase from Candida antartica-B (Novozyme A/S) catalyzed transesterification reaction with good enantio selectivity towards S-enantiomer. The high enantiomeric ratio, E= 160, provided S-2 an acceptable chemical yield (50%) and enaritiomeric excess (>95%). (c) 2005 Elsevier B.V. All rights reserved.10a110a4-benzodioxan-2-carboxylate10a4-benzodioxan-2-carboxylic acid10adoxazosin10aenantio selectivity10aenantiomeric ratio10aethyl 110aethyl acetate10aLipases10atransesterfication1 aKasture, Sangita, M.1 aVarma, R1 aKalkote, Uttam, R.1 aNene, S1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/novel-enzymatic-route-kinetic-resolution-14-benzodioxan-2-carboxylic-acid-001846nas a2200181   4500008004100000022001400041245007400055210006900129260007100198300001400269490000700283520116700290100002201457700002701479700002601506700002601532856010601558       2007                        eng d  a0888-588500aData-driven dynamic modeling and control of a surface aeration system0 aDatadriven dynamic modeling and control of a surface aeration sy  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a8607-86130 v463 a<p>In this study we have developed a support vector regression (SVR) based data-driven model for predicting two important design parameters of surface aerators, namely, the volumetric mass transfer coefficient (k(L)(a) under bar) and fractional gas hold-up (epsilon(G)). The dynamical state of the surface aerator system was captured by acquiring pressure fluctuation signals (PFSs) at various design and operating conditions. The most informative features from PFS were extracted using the chaos analysis technique, which includes estimation of Lyapunov exponent, correlation dimensions, and Kolmogorov entropy. At similar conditions the values of k(L)(a) under bar and epsilon(G) were also measured. Two different SVR models for predicting the volumetric mass transfer coefficient (k(L)(a) under bar) and overall gas hold-up (epsilon(G)) as a function of chaotic invariants, design parameters, and operating parameters were developed showing test accuracies of 98.8% and 97.1%, respectively. Such SVM based models for the surface aerator can be potentially useful on a commercial scale for online monitoring and control of desired process output variables.</p>1 aGandhi, Ankit, B.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/data-driven-dynamic-modeling-and-control-surface-aeration-system-002628nas a2200217   4500008004100000022001400041245016400055210006900219260010600288300001400394490000700408520168500415653002602100653002402126653003002150100002202180700002702202700002602229700002602255856012902281       2007                        eng d  a0009-250900aDevelopment of support vector regression (SVR)-based correlation for prediction of overall gas hold-up in bubble column reactors for various gas-liquid systems0 aDevelopment of support vector regression SVRbased correlation fo  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a7078-70890 v623 a<p>The objective of this study was to develop a unified data-driven correlation for the overall gas hold-up for various gas-liquid systems using support vector regression (SVR)-based modeling technique. Over the years, researchers have amply quantified the hydrodynamics of bubble column reactors in terms of the overall gas hold-up. In this work, about 1810 experimental points were collected from 40 open sources spanning the years 1965-2007. The model for overall gas hold-up was established as a function of several parameters which include superficial gas velocity, superficial liquid velocity, gas density, molecular weight of gas, sparger type, sparger hole diameter, number of sparger holes, liquid viscosity, liquid density, liquid surface tension, operating temperature, operating pressure and column diameter of the gas-liquid system. For understanding the hold-up behavior, the data used for training the model was grouped into various gas-liquid systems viz., air-water, gas-aqueous viscous liquids, gas-organic liquids, gas-aqueous electrolyte solutions and gas-liquid systems operated over a wide range of pressure. A generalized model established using SVR was evaluated for its performance for various gas-liquid systems. Statistical analysis showed that the proposed generalized SVR-based correlation for overall gas hold-up has prediction accuracy of 97% with average absolute relative error (% AARE) of 12.11%. A comparison of this correlation with the selected system specific correlations in the literature showed that the developed SVR-based correlation significantly gives enhanced prediction of overall gas hold-up. (C) 2007 Published by Elsevier Ltd.</p>10abubble column reactor10aoverall gas hold-up10asupport vector regression1 aGandhi, Ankit, B.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/development-support-vector-regression-svr-based-correlation-prediction-overall-gas-hold-002577nas a2200277   4500008004100000022001400041245008200055210006900137260009900206300001200305490000700317520157600324653003001900653003201930653003601962100002401998700001802022700002202040700001902062700001602081700002202097700002002119700002302139700002602162856011102188       2007                        eng d  a0016-236100aEstimation of gross calorific value of coals using artificial neural networks0 aEstimation of gross calorific value of coals using artificial ne  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcFEB  a334-3440 v863 a<p>The gross calorific value (GCV) is an important property defining the energy content and thereby efficiency of fuels, such as coals. There exist a number of correlations for estimating the GCV of a coal sample based upon its proximate and/or ultimate analyses. These correlations are mainly linear in character although there are indications that the relationship between the GCV and a few constituents of the proximate and ultimate analyses could be nonlinear. Accordingly, in this paper a total of seven nonlinear models have been developed using the artificial neural networks (ANN) methodology for the estimation of GCV with a special focus on Indian coals. The comprehensive ANN model developed here uses all the major constituents of the proximate and ultimate analyses as inputs while the remaining six sub-models use different combinations of the constituents of the stated analyses. It has been found that the GCV prediction accuracy of all the models is excellent with the comprehensive model being the most accurate GCV predictor. Also, the performance of the ANN models has been found to be consistently better than that of their linear counterparts. Additionally, a sensitivity analysis of the comprehensive ANN model has been performed to identify the important model inputs, which significantly affect the GCV. The ANN-based modeling approach illustrated in this paper is sufficiently general and thus can be gainfully extended for estimating the GCV of a wide spectrum of solid, liquid and gaseous fuels. (c) 2006 Elsevier Ltd. All rights reserved.</p>10aArtificial neural network10agross calorific value (GCV)10aproximate and ultimate analyses1 aPatel, Shagufta, U.1 aKumar, Jeevan1 aBadhe, Yogesh, P.1 aSharma, B., K.1 aSaha, Sujan1 aBiswas, Subhasish1 aChaudhury, Asim1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/estimation-gross-calorific-value-coals-using-artificial-neural-networks02613nas a2200265   4500008004100000022001400041245009200055210006900147260007300216300001200289490000800301520170400309653001402013653001302027653001502040653001702055653001302072100002502085700002202110700002202132700002202154700002302176700002602199856012202225       2007                        eng d  a0376-738800aGas sorption and transport in polyarylates: effect of substituent symmetry and polarity0 aGas sorption and transport in polyarylates effect of substituent  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT  a244-2510 v3033 a<p>The gas sorption properties of polyarylates based on bisphenol-A possessing symmetric/asymmetric substitution by nonpolar -CH3 group and symmetrically linked terephthalic acid were examined. The effects of substitution of polar bromine on terephalic acid moiety of polyarylate based on asymmetrically substituted bisphenol were also studied for physical, sorption and transport properties. The estimation of dual mode sorption parameters, solubility and diffusion coefficient revealed that nature of the substituent and substitution type plays a crucial role in depicting permeation properties. An asymmetric substitution by -CH3 group increased solubility coefficient of pure gases (N-2, O-2, CH4 and CO2) up to 27% and symmetric substitution increased the same up to 106%. This was coupled with 7-35% increase in solubility selectivity in both cases of substitution, which ascertained the usefulness of methyl group substitution in polyarylates based on terephalic acid. The pressure dependency of solubility coefficients and solubility selectivity was also investigated for these polyarylates. The sorption and transport properties of these polyarylates correlated well with physical properties of polyarylates and gases studied. The sorption/desorption kinetics of symmetrically substituted TMBisA-T was performed in order to deduce time dependent sorption behavior and to evaluate diffusivity coefficient. The apparent diffusion coefficients from sorption kinetics, desorption kinetics and from steady-states permeation-sorption were compared. The diffusion coefficients of CH4 and N-2 deduced by these methods correlated well with each other. (C) 2007 Elsevier B.V. All rights reserved.</p>10aDiffusion10akinetics10apermeation10apolyarylates10aSorption1 aKaradkar, Prasad, B.1 aKharul, Ulhas, K.1 aBhole, Yogesh, S.1 aBadhe, Yogesh, P.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/gas-sorption-and-transport-polyarylates-effect-substituent-symmetry-and-polarity-002093nas a2200253   4500008004100000022001400041245010500055210006900160260007300229300001400302490000700316520117300323653002601496653001901522653002001541653000901561653002801570100002401598700001801622700001901640700002601659700002601685856012801711       2007                        eng d  a0167-865500aUsing pseudo amino acid composition to predict protein subnuclear localization: approached with PSSM0 aUsing pseudo amino acid composition to predict protein subnuclea  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT  a1610-16150 v283 a<p>Identification of Nuclear protein localization assumes significance as it can provide in depth insight for genome regulation and function annotation of novel proteins. A multiclass SVM classifier with various input features was employed for nuclear protein compartment identification. The input features include factor solution scores and evolutionary information (position specific scoring matrix (PSSM) score) apart from conventional dipeptide composition and pseudo amino acid composition. All the SVM classifiers with different sets of input features performed better than the previously available prediction classifiers. The jack-knife success rate thus obtained on the benchmark dataset constructed by Shen and Chou [Shen, H.B., Chou, K.C., 2005, Predicting protein subnuclear location with optimized evidence-theoretic K-nearest classifier and pseudo amino acid composition. Biochem. Biophys. Res. Commun. 337, 752-756] is 71.23%, indicating that the novel pseudo amino acid composition approach with PSSM and SVM classifier is very promising and may at least play a complimentary role to the existing methods. (c) 2007 Elsevier B.V. All rights reserved.</p>10afactor solution score10amulticlass SVM10anuclear protein10aPSSM10asubnuclear localization1 aMundra, Piyushkumar1 aKumar, Madhan1 aKumar, Krishna1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/using-pseudo-amino-acid-composition-predict-protein-subnuclear-localization-approached-001733nas a2200181   4500008004100000022001400041245004300055210004200098260007700140300001200217490000700229520113700236100002501373700002401398700002501422700002601447856007801473       2007                        eng d  a1022-133600aWater-triggered frontal polymerization0 aWatertriggered frontal polymerization  aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcJAN  a109-1150 v283 a<p>A totally new mode of frontal polymerization (FP) of acrylamide is established which is triggered by the simple addition of a minute, specific volume of water. Experimental conditions under which this mode of polymerization yields linear and water-soluble polyacrylamide were carefully established, paving the way to synthesize commercially pertinent homo- and copolymers. A new redox couple was identified to circumvent the imidization and the ensuing gelation, hitherto associated with FP of acrylamide. Effects of reaction variables such as type and concentration of redox couple and volume of water on measurable parameters of FP such as front velocity, front temperature, shape of front and yield have been studied. Two types of redox couples are reported. Nonplanar frontal regime was observed in few redox couples. We could visually observe helical patterns with naked eyes, while layered patterns were observable under SEM. Additionally, micro-phase separation and heterogeneity in the polymer matrix was observed due to unreacted pockets of monomer which evolve via bulk mode. This nonlinear phenomenon is described.</p>1 aPujari, Narahari, S.1 aInamdar, Satish, R.1 aPonrathnam, Surendra1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/water-triggered-frontal-polymerization01327nas a2200193   4500008004100000022001400041245004600055210004600101260009100147300000800238490000600246520067600252653001700928653002900945653003000974100002401004700002601028856007901054       2008                        eng d  a1542-658000aNanoreactors for nanostructured materials0 aNanoreactors for nanostructured materials  a2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USAbBERKELEY ELECTRONIC PRESScJAN  aA620 v63 a<p>Organized systems such as micelles, reverse micelles, vesicles, polyelectrolyte capsules, liquid crystals, etc., formed through a self-assembling process represent nanoreactors that can be used for preparing nanostructured materials. Besides a fascinating academic subject, these nanoreactors provide a unique way to develop a special type of advanced material for a wide variety of applications in electronics, photonics, biomedical and other areas. The article examines the formation, functioning, properties and special attributes of these nanoreactors with a view towards their engineering analysis, design and possible integration in manufacturing technology.</p>10ananoreactors10aNanostructured materials10aorganized self-assemblies1 aKhomane, Ramdas, B.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/nanoreactors-nanostructured-materials-002244nas a2200265   4500008004100000022001400041245013100055210006900186260005700255300001200312490000600324520126300330653002701593653001201620653001801632653002501650653002201675100002901697700002401726700002801750700002201778700002001800700002601820856013201846       2008                        eng d  a1931-757300aSulfur nanoparticles synthesis and characterization from H2S gas, using novel biodegradable iron chelates in w/o microemulsion0 aSulfur nanoparticles synthesis and characterization from H2S gas  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcJUN  a221-2290 v33 a<p>Sulfur nanoparticles were synthesized from hazardous H2S gas using novel biodegradable iron chelates in w/o microemulsion system. Fe3+-malic acid chelate (0.05 M aqueous solution) was studied in w/o microemulsion containing cyclohexane, Triton X-100 and n-hexanol as oil phase, surfactant, co-surfactant, respectively, for catalytic oxidation of H2S gas at ambient conditions of temperature, pressure, and neutral pH. The structural features of sulfur nanoparticles have been characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), energy dispersive spectroscopy (EDS), diffused reflectance infra-red Fourier transform technique, and BET surface area measurements. XRD analysis indicates the presence of alpha-sulfur. TEM analysis shows that the morphology of sulfur nanoparticles synthesized in w/o microemulsion system is nearly uniform in size (average particle size 10 nm) and narrow particle size distribution (in range of 5-15 nm) as compared to that in aqueous surfactant systems. The EDS analysis indicated high purity of sulfur (&gt; 99%). Moreover, sulfur nanoparticles synthesized in w/o microemulsion system exhibit higher antimicrobial activity (against bacteria, yeast, and fungi) than that of colloidal sulfur.</p>10aAntimicrobial activity10aH2S gas10airon chelates10asulfur nanoparticles10aw/o microemulsion1 aDeshpande, Aniruddha, S.1 aKhomane, Ramdas, B.1 aVaidya, Bhalchandra, K.1 aJoshi, Renuka, M.1 aHarle, Arti, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/sulfur-nanoparticles-synthesis-and-characterization-h2s-gas-using-novel-biodegradable-iron-000794nas a2200169   4500008004100000022001400041245010000055210006900155260007100224300001400295490000700309520011900316100001900435700001700454700002600471856012700497       2009                        eng d  a0888-588500aAdsorption of aqueous selenite [Se(IV)] species on synthetic layered double hydroxide materials0 aAdsorption of aqueous selenite SeIV species on synthetic layered  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP  a7893-78980 v483 a<p>{Layered double hydroxide materials (Zn/Al, Mg/Al, Zn/Fe) with varying composition (M(2+):M(3+) molar ratio</p>1 aMandal, Sujata1 aMayadevi, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/adsorption-aqueous-selenite-seiv-species-synthetic-layered-double-hydroxide-materials-003142nas a2200229   4500008004100000022001400041245026000055210006900315260007100384300001400455490000700469520211800476100002402594700002502618700002102643700002202664700002302686700002702709700002602736700002602762856012402788       2009                        eng d  a0888-588500aDevelopment of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq0 aDevelopment of correlations for overall gas holdup volumetric ma  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV  a9631-96540 v483 a<p>The objective of this study was to develop hybrid genetic algorithm-support vector regression (GA-SVR)-based correlations for overall gas hold-up (epsilon(G)), volumetric mass-transfer coefficient (kt,a), and effective interfacial area (a) in bubble Column reactors for gas-liquid systems employing Viscous Newtonian and non-Newtonian systems as the liquid phase. The hybrid GA-SVR is a novel technique based on the feature 0 generation approach using genetic algorithm (GA). In the present study, GA has been used for nonlinear rescaling of attributes. These, exponentially scaled, are eventually subjected to SVR training The technique is an extension of conventional SVR technique, showing relatively enhanced results For this purpose an extensive literature search was done. From the published literature, 1629 data points for viscous Newtonian and 845 data points for VISCOUS non-Newtonian systems for cc;, 500 data points for viscous Newtonian and 556 data points for viscous non-Newtonian systems for k(L)a, and 208 data points for viscous non-Newtonian systems for a, respectively, were collected These data sets were collected spanning the years 1965-2007 Correlations were developed after taking into account all the parameters affecting epsilon(G), k(1)a, and a such as column and sparger geometry, gas-liquid properties, operating temperature, pressure, and Superficial gas and liquid velocities. The correlations thus developed gave prediction accuracies of 0.994 and 0.999 and average absolute relative errors (AARE) of 3.75 and 1.65% for viscous Newtonian and non-Newtonian systems for epsilon(G), prediction accuracies of 0.983 and 0.998 and AARE of 8 62 and 1.91% for viscous Newtonian and non-Newtonian systems for k(1)a, and prediction accuracy of 0.999 and AARE of 1% for viscous non-Newtonian systems for a, respectively. These correlations also showed much improved results when compared with all the existing correlations proposed in literature. To facilitate their usage, all the hybrid GA-SVR-based correlations have been uploaded on the web link http-//wwwesnips.com/web/UICT-NCL.</p>1 aGupta, Prashant, P.1 aMerchant, Shamel, S.1 aBhat, Akshay, U.1 aGandhi, Ankit, B.1 aBhagwat, Sunil, S.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/development-correlations-overall-gas-hold-volumetric-mass-transfer-coefficient-and-002056nas a2200193   4500008004100000022001400041245020100055210006900256260007100325300001400396490000700410520119500417100002201612700002401634700002701658700002601685700002601711856012501737       2009                        eng d  a0888-588500aDevelopment of unified correlations for volumetric mass-transfer coefficient and effective interfacial area in bubble column reactors for various gas-liquid systems using support vector regression0 aDevelopment of unified correlations for volumetric masstransfer   a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a4216-42360 v483 a<p>The objective of this study was to develop a unified correlation for the volumetric mass-transfer coefficient (k(L)a) and effective interfacial area (a) in bubble columns for various gas-liquid systems using support vector regression (SVR-) based modeling technique. From the data published in the open literature, 1600 data points from 27 open sources spanning the years 1965-2007 for k(L)a and 1330 data points from 28 open sources spanning the years 1968-2007 for a were collected. Generalized SVR-based models were developed for the relationship between k(L)a (and a) and each design and operating parameters such as column and sparger geometry, gas-liquid physical properties, operating temperature, pressure, superficial gas velocity, and so on. Further, these models for k(L)a and a are available online at http://www.esnips.com/web/UICT-NCL. The proposed generalized SVR-based correlations for k(L)a and a have prediction accuracies of 99.08% and 98.6% and average absolute relative errors (AAREs) of 7.12% and 5.01%, respectively. Also, the SVR-based correlation provided much improved predictions compared to those obtained using empirical correlations from the literature.</p>1 aGandhi, Ankit, B.1 aGupta, Prashant, P.1 aJoshi, Jyeshtharaj, B.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/development-unified-correlations-volumetric-mass-transfer-coefficient-and-effective-001976nas a2200253   4500008004100000022001400041245013800055210006900193260008000262300001200342490000700354520098200361653001201343653002401355653003001379653003301409653002901442100002801471700002401499700002201523700002101545700002601566856013001592       2009                        eng d  a1367-543500aEnhanced production of amidase from Rhodococcus erythropolis MTCC 1526 by medium optimisation using a statistical experimental design0 aEnhanced production of amidase from Rhodococcus erythropolis MTC  aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcMAY  a671-6780 v363 a<p>In the present work, statistical experimental methodology was used to enhance the production of amidase from Rhodococcus erythropolis MTCC 1526. R. erythropolis MTCC 1526 was selected through screening of seven strains of Rhodococcus species. The Placket-Burman screening experiments suggested that sorbitol as carbon source, yeast extract and meat peptone as nitrogen sources, and acetamide as amidase inducer are the most influential media components. The concentrations of these four media components were optimised using a face-centred design of response surface methodology (RSM). The optimum medium composition for amidase production was found to contain sorbitol (5 g/L), yeast extract (4 g/L), meat peptone (2.5 g/L), and acetamide (12.25 mM). Amidase activities before and after optimisation were 157.85 units/g dry cells and 1,086.57 units/g dry cells, respectively. Thus, use of RSM increased production of amidase from R. erythropolis MTCC 1526 by 6.88-fold.</p>10aAmidase10aMedium optimisation10aPlackett-Burman screening10aResponse surface methodology10aRhodococcus erythropolis1 aVaidya, Bhalchandra, K.1 aMutalik, Snehal, R.1 aJoshi, Renuka, M.1 aNene, Sanjay, N.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/enhanced-production-amidase-rhodococcus-erythropolis-mtcc-1526-medium-optimisation-using-002362nas a2200277   4500008004100000022001400041245014500055210006900200260008000269300001200349490000700361520130400368653003001672653001801702653002201720653002301742653003301765653001601798100002101814700002801835700002101863700002201884700002101906700002601927856013101953       2009                        eng d  a1367-543500aMedia optimization for biosurfactant production by rhodococcus erythropolis MTCC 2794: artificial intelligence versus a statistical approach0 aMedia optimization for biosurfactant production by rhodococcus e  aTIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANYbSPRINGER HEIDELBERGcMAY  a747-7560 v363 a<p>This paper entails a comprehensive study on production of a biosurfactant from Rhodococcus erythropolis MTCC 2794. Two optimization techniques-(1) artificial neural network (ANN) coupled with genetic algorithm (GA) and (2) response surface methodology (RSM)-were used for media optimization in order to enhance the biosurfactant yield by Rhodococcus erythropolis MTCC 2794. ANN and RSM models were developed, incorporating the quantity of four medium components (sucrose, yeast extract, meat peptone, and toluene) as independent input variables and biosurfactant yield [calculated in terms of percent emulsification index (% EI24)] as output variable. ANN-GA and RSM were compared for their predictive and generalization ability using a separate data set of 16 experiments, for which the average quadratic errors were similar to 3 and similar to 6%, respectively. ANN-GA was found to be more accurate and consistent in predicting optimized conditions and maximum yield than RSM. For the ANN-GA model, the values of correlation coefficient and average quadratic error were similar to 0.99 and similar to 3%, respectively. It was also shown that ANN-based models could be used accurately for sensitivity analysis. ANN-GA-optimized media gave about a 3.5-fold enhancement in biosurfactant yield.</p>10aArtificial neural network10aBiosurfactant10aGenetic algorithm10aMedia optimization10aResponse surface methodology10aRhodococcus1 aPal, Moumita, P.1 aVaidya, Bhalchandra, K.1 aDesai, Kiran, M.1 aJoshi, Renuka, M.1 aNene, Sanjay, N.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/media-optimization-biosurfactant-production-rhodococcus-erythropolis-mtcc-2794-artificial-001156nas a2200169   4500008004100000022001400041245006800055210006800123260007100191300001200262490000700274520054300281100002400824700001800848700002600866856009400892       2009                        eng d  a1083-616000aPilot plant study of recovery of lactic acid from ethyl lactate0 aPilot plant study of recovery of lactic acid from ethyl lactate  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a573-5750 v133 a<p>Purified lactic acid is used for production of biodegradable polymer. Esterification with ethanol and subsequent hydrolysis in distillation columns to produce purified lactic acid without catalyst has obvious advantages. In this paper, we present a pilot-plant study of ethyl lactate hydrolysis to produce 3.86 kg/h lactic acid (99.85% purity) using three distillation columns. Simulation of distillation columns at steady state has been carried out, and the results obtained tally with the experimental results of the pilot plant.</p>1 aBarve, Prashant, P.1 aRahman, Imran1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/pilot-plant-study-recovery-lactic-acid-ethyl-lactate-001794nas a2200229   4500008004100000022001400041245007000055210006900125260011100194300001200305490000700317520093200324653001901256653001801275653002101293653005601314653001501370100002601385700002601411700002601437856010101463       2009                        eng d  a1386-207300aReview on lazy learning regressors and their applications in QSAR0 aReview on lazy learning regressors and their applications in QSA  aEXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcMAY  a440-4500 v123 a<p>Building accurate quantitative structure-activity relationships (QSAR) is important in drug design, environmental modeling, toxicology, and chemical property prediction. QSAR methods can be utilized to solve mainly two types of problems viz., pattern recognition, (or classification) where output is discrete (i.e. class information), e. g., active or non-active molecule, binding or non-binding molecule etc., and function approximation, (i.e. regression) where the output is continuous (e.g., actual activity prediction). The present review deals with the second type of problem (regression) with specific attention to one of the most effective machine learning procedures, viz. lazy learning. The methodologies of the algorithm along with the relevant technical information are discussed in detail. We also present three real life case studies to briefly outline the typical characteristics of the modeling formalism.</p>10aclassification10alazy learning10amachine learning10aQuantitative structure activity relationship (QSAR)10aregression1 aKulkarni, Abhijit, J.1 aJayaraman, Valadi, K.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/review-lazy-learning-regressors-and-their-applications-qsar-002246nas a2200277   4500008004100000022001400041245011100055210006900166260007300235300001000308490000800318520125700326653001501583653002101598653002501619653001301644653002101657100002301678700002401701700002401725700002001749700002601769700002401795700002601819856012301845       2010                        eng d  a0011-916400aAdsorption of fluoride from aqueous solution by alumina of alkoxide nature: batch and continuous operation0 aAdsorption of fluoride from aqueous solution by alumina of alkox  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC  a15-230 v2643 a<p>In this investigation, we report the adsorption potential of alkoxide origin alumina for defluoridation of drinking water using batch and continuous mode of operations. The effects of different operating parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and interfering ions (usually present in groundwater) were studied with a view to understand the adsorption behavior of the material under various conditions. A thermodynamic study shows that the adsorption of fluoride by alkoxide origin alumina is an exothermic and spontaneous process. The kinetic results showed that the fluoride sorption follows pseudo-second-order kinetics. The applicability of adsorbent in the field is also tested through column breakthrough studies. It has been observed that with an increase in the flow rate and initial fluoride concentration, the breakthrough curve becomes sharper and the breakthrough time and adsorbed fluoride ion concentration decrease. The breakthrough curve also becomes steeper as the bed height increases. The alkoxide origin alumina based adsorbent media can be used directly for field applications since it is also commercially available in granular form. (C) 2010 Elsevier B.V. All rights reserved.</p>10aAdsorption10aAlkoxide alumina10aBreakthrough studies10aFluoride10aKinetic modeling1 aKamble, Sanjay, P.1 aDeshpande, Gunavant1 aBarve, Prashant, P.1 aRayalu, Sadhana1 aLabhsetwar, Nitin, K.1 aMalyshew, Alexander1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/adsorption-fluoride-aqueous-solution-alumina-alkoxide-nature-batch-and-continuous-001777nas a2200217   4500008004100000022001400041245006800055210006800123260007300191300001200264490000700276520102000283653002001303653001801323653002301341653002201364653002701386100002101413700002601434856009901460       2010                        eng d  a0378-382000aThermodynamic analysis of dry autothermal reforming of glycerol0 aThermodynamic analysis of dry autothermal reforming of glycerol  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY  a520-5300 v913 a<p>{Dry autothermal reforming of glycerol uses a combination of dry (CO(2)) reforming and partial oxidation reactions to produce syngas rich product stream. Thermodynamic equilibrium data for dry autothermal reforming of glycerol was generated for temperature range 600-1000 K . 1 bar pressure, OCGR [feed O(2)/C (C of glycerol only) ratio] 0.1 to 0.5 and CGR [feed CO(2)/glycerol ratio] 1 to 5 and analyzed. The objective of the paper is to identify the thermodynamic domain of the process operation, study the variation of product distribution pattern and describe the optimum conditions to maximize yield of the desired product and minimize the undesired product formation. Higher OCGR and higher CGR yielded a syngas ratio (similar to 1), with lower carbon and methane formation, while lower CGR and lower OCGR yielded good hydrogen and total hydrogen, with low water and CO2 production. The best thermoneutral condition for DATR of glycerol operation was seen at a temperature of 926.31 K at 1 bar pressure</p>10aCO(2) reforming10aDry reforming10aGlycerol reforming10aSyngas production10aThermodynamic modeling1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/thermodynamic-analysis-dry-autothermal-reforming-glycerol-002218nas a2200217   4500008004100000022001400041245009900055210006900154260009900223300001400322490000700336520137600343653003201719653000801751653002201759653002201781100002101803700002601824700002001850856013001870       2010                        eng d  a0016-236100aThermodynamic study of combining chemical looping combustion and combined reforming of propane0 aThermodynamic study of combining chemical looping combustion and  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcOCT  a3141-31460 v893 a<p>Existing energy generation technologies emit CO(2) gas and are posing a serious problem of global warming and climate change. The thermodynamic feasibility of a new process scheme combining chemical looping combustion (CLC) and combined reforming (CR) of propane (LPG) is studied in this paper. The study of CLC of propane with CaSO(4) as oxygen carrier shows thermodynamic feasibility in temperature range (400-782.95 degrees C) at 1 bar pressure. The CO(2) generated in the CLC can be used for combined reforming of propane in an autothermal way within the temperature range (400-1000 degrees C) at 1 bar pressure to generate syngas of ratio 3.0 (above 600 degrees C) which is extremely desirable for petrochemical manufacture. The process scheme generates (a) huge thermal energy in CLC that can be used for various processes, (b) pure N(2) and syngas rich streams can be used for petrochemical manufacture and (c) takes care of the expensive CO(2) separation from flue gas stream and CO(2) sequestration. The thermoneutral temperature (TNP) of 702.12 degrees C yielding maximum syngas of 5.98 mol per mole propane fed, of syngas ratio 1.73 with negligible methane and carbon formation was identified as the best condition for the CR reactor operation. The process can be used for different fuels and oxygen carriers. (C) 2010 Elsevier Ltd. All rights reserved.</p>10aChemical looping combustion10aCLC10aCO(2) utilization10aEnergy generation1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.1 aJoshi, Ajit, R.  uhttps://library.ncl.res.in/content/thermodynamic-study-combining-chemical-looping-combustion-and-combined-reforming-propane-001580nas a2200205   4500008004100000022001400041245007000055210006900125260006900194300001200263490000800275520085000283653002001133653003001153653002201183653001801205100002101223700002601244856010401270       2010                        eng d  a1385-894700aThermoneutral point analysis of ethanol dry autothermal reforming0 aThermoneutral point analysis of ethanol dry autothermal reformin  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC  a864-8730 v1653 a<p>{Dry autothermal reforming of ethanol can be used to produce a variety of value added products like hydrogen, syngas and also carbon (possible CNF). A thermodynamic analysis of dry autothermal reforming of ethanol has been carried out to locate the thermoneutral temperatures and product composition at those points at 1, 3, 6 and 9 bar reaction pressures. The variations of thermoneutral temperatures and individual product yields at those temperatures have been discussed to find the optimum operating parameters for desired product output from the process. The process operated at thermoneutral conditions can give useful products like hydrogen, syngas (of low ratio) and carbon (possibly CNFs) and also provide a way for CO2 sequestration using renewable ethanol fuel. A maximum of 2.58 moles of syngas of ratio 2.01 obtained at 1 bar</p>10aCO2 utilization10aDry autothermal reforming10aEthanol reforming10aThermoneutral1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/thermoneutral-point-analysis-ethanol-dry-autothermal-reforming-001976nas a2200217   4500008004100000022001400041245005300055210005300108260010600161300001400267490000700281520120600288653002601494653003001520653002401550653002401574653002701598100002101625700002601646856008601672       2011                        eng d  a0360-319900aAlternative process for gasoline fuel processors0 aAlternative process for gasoline fuel processors  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB  a2118-21270 v363 a<p>The article explores the thermodynamics of an alternate hydrogen generation process dry autothermal reforming and its comparison to autothermal reforming process of isooctane for use in gasoline fuel processors for SOFC. A thermodynamic analysis of isooctane as feed hydrocarbon for autothermal reforming and dry autothermal reforming processes for feed OCIR (oxygen to carbon in isooctane ratio) from 0.5 to 0.7 at 1 bar pressure under analogous thermoneutral operating conditions was done using Gibbs free energy minimization algorithm in HSC Chemistry. The trends in thermoneutral points (TNP), important product gas compositions at TNPs and fuel processor energy requirements were compared and analyzed. Dry autothermal reforming was identified as a less energy consuming alternative to autothermal reforming as the syngas can be produced with lower energy requirements at thermoneutral temperatures, making it a promising candidate for use in gasoline fuel processors to power the solid oxide fuel cells. The dry autothermal reforming process for syngas production can also be used for different fuels. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.</p>10aAutothermal reforming10aDry autothermal reforming10ahydrogen production10aIsooctane reforming10aThermodynamic modeling1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/alternative-process-gasoline-fuel-processors-002276nas a2200241   4500008004100000022001400041245010500055210006900160260009900229300001200328490000700340520134900347653002401696653002301720653002301743653002401766100002301790700002201813700001901835700002301854700002601877856013101903       2011                        eng d  a0016-236100aClassification of Indian power coals using K-means clustering and self organizing map neural network0 aClassification of Indian power coals using Kmeans clustering and  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcJAN  a339-3470 v903 a<p>The present study reports results of the classification of Indian coals used in thermal power stations across India. For classifying these power coals a classical unsupervised clustering technique, namely ``K-Means Clustering'' and an artificial intelligence (AI) based nonlinear clustering formalism known as ``Self-Organizing Map (SOM)'' have been used for the first time. To conduct the said classification, five coal descriptor variables namely moisture, ash, volatile matter, carbon and gross calorific value (GCV) have been used. The classification results thereof indicate that Indian power coals from different geographical origins can be classified optimally into seven classes. It has also been found that the K-means and SOM based classification results exhibit similarity in close to 75% coal samples. Further, K-means and SOM based seven coal categories have been compared with as many grades of a commonly employed Useful Heat Value (UHV) based Indian non-coking coal grading system. Here, it was observed that a number of UHV-based grades exhibit similarity with the categories identified by the K-means and SOM methods. The classification of Indian power coals as provided here can be gainfully used in selecting application-specific coals as also in their grading and pricing. (C) 2010 Elsevier Ltd. All rights reserved.</p>10aCoal classification10aIndian power coals10aK-means clustering10aSelf-Organizing Map1 aPandit, Yogesh, P.1 aBadhe, Yogesh, P.1 aSharma, B., K.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/classification-indian-power-coals-using-k-means-clustering-and-self-organizing-map-neural-001730nas a2200193   4500008004100000022001400041245004700055210004700102260007100149300001400220490000700234520111100241100002301352700001401375700002001389700002101409700002601430856008001456       2011                        eng d  a0888-588500aFractal impeller for stirred tank reactors0 aFractal impeller for stirred tank reactors  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUN  a7667-76760 v503 a<p>Stirred tank reactors are used for variety of applications at different scales of operation. The conventional impellers tend to develop regions having nonuniform energy dissipation rates in the stirred reactor. In this work, we propose a novel fractal impeller, which helps in reducing such nonuniformities and help develop a uniform randomness throughout the reactor. The impeller geometry is discussed in detail. Experimental measurements of the power consumption, mixing time, suspension quality, and the ability for gas dispersion were carried out, and the performance is compared with the conventional impellers. The impeller is seen to have a low power number, and it can generate a uniform suspension of particles even at relatively lower impeller speeds and can efficiently disperse gas into liquid to yield relatively higher gas hold-up values. The Fourier analysis of the power consumption time series data indicates that no specific prominent frequency events exist in the reactor, and the spectrum showed several frequency events to exist in the reactor with almost identical prominence.</p>1 aKulkarni, Amol, A.1 aJha, Neha1 aSingh, Abhishek1 aBhatnagar, Sumit1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/fractal-impeller-stirred-tank-reactors-001618nas a2200229   4500008004100000022001400041245006800055210006800123260009900191300001200290490000800302520081600310653004201126653000801168653000901176653001101185653000801196100003201204700002101236700002601257856010501283       2012                        eng d  a0960-852400aEfficient lipase purification using reverse micellar extraction0 aEfficient lipase purification using reverse micellar extraction  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR  a224-2300 v1083 a<p>Reverse micellar extraction (RME) of enzyme provides an attractive option for conventional method with the potential to achieve purification and concentration in a single step with high yield. This study presents a methodology for optimization of RME with Pseudomonas lipase as model system. Fold-purification, percent recovery and extraction time were the objective functions while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Under optimized conditions, the AOT (Aerosol OT (bis 2-ethylhexyl) sodium sulfosuccinate)-isooctane system gave a 15-fold purification, 80% recovery and 2.5-fold concentration of the Pseudomonas lipase with process time of 45 min. (C) 2011 Elsevier Ltd. All rights reserved.</p>10a(Hexadicetyltrimethylammoniumbromide)10aAOT10aCTAB10aLipase10aRME1 aGaikaiwari, Raghavendra, P.1 aWagh, Shilpa, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/efficient-lipase-purification-using-reverse-micellar-extraction-002242nas a2200205   4500008004100000022001400041245006900055210006900124260007300193300001200266490000700278520151900285653000901804653003201813653001201845100003201857700002101889700002601910856010001936       2012                        eng d  a1383-586600aExtraction and purification of tannase by reverse micelle system0 aExtraction and purification of tannase by reverse micelle system  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR  a288-2960 v893 a<p>Tannin acyl hydrolase commonly called as tannase (EC 3.1.1.20) is a commercially important enzyme. Partially purified and concentrated tannase is required for commercial applications. Typical objectives of purification process comprise high fold-purification, recovery and concentration. These objectives may be potentially conflicting. Conventional methods of purification require multiple steps which are time consuming and may cause higher loss. Reverse micellar extraction (RME) using ionic surfactants provides an attractive option for concentration and purification of tannase which is a highly hydrophilic glycoprotein. This study presents an optimized methodology for RME and purification of Aspergillus allahabadi intracellular tannase. Fold-purification, percent recovery and extraction time were the objective while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Some of these parameters were also studied for their effect on back-extraction. Among the surfactants tested, CTAB-isooctane system was found to be suitable. Under optimized conditions, 12.7-fold purification, 81.2% recovery and 3-fold concentration of tannase with a process time of 45 min was obtained. Conventional purification methods provided a higher fold-purification albeit at a much lower enzyme recovery. Further, the conventional method requires a process time of several hours. (c) 2012 Elsevier B.V. All rights reserved.</p>10aCTAB10aReverse micellar extraction10aTannase1 aGaikaiwari, Raghavendra, P.1 aWagh, Shilpa, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/extraction-and-purification-tannase-reverse-micelle-system-001685nas a2200205   4500008004100000245009700041210006900138260000800207300001200215490000700227520096800234100002301202700002201225700001701247700002601264700002101290700002201311700002401333856012201357       2012                        eng d00aKinetic modeling and optimization of operating parameters for transvinylation of lauric acid0 aKinetic modeling and optimization of operating parameters for tr  cSEP  a624-6340 v443 aThe transition metal complex catalyzed transvinylation of carboxylic acid with vinyl acetate monomer is of significant interest to industry. The palladium complex catalyzed transvinylation of lauric acid using vinyl acetate monomer is a reversible reaction. In present article, design of experiments (DOE) statistics is used to study effects of various operating parameters on transvinylation of lauric acid. The kinetic parameters forward and backward rate constants and the thermodynamic parameters such as equilibrium constant and energy of activation of the transvinylation of lauric acid were estimated using the Dynochem model. The optimum operating parameters for the transvinylation of lauric acid were then predicted using the Dynochem model and verified by performing the actual experiments to validate the model. It was found that the experimental results match with the predicted one. (c) 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 624634, 20121 aKamble, Sanjay, P.1 aManjarekar, Onkar1 aMawale, Ravi1 aKulkarni, Bhaskar, D.1 aChowdary, Naresh1 aGupte, Milind, Y.1 aBarve, Prashant, P.  uhttps://library.ncl.res.in/content/kinetic-modeling-and-optimization-operating-parameters-transvinylation-lauric-acid02224nas a2200193   4500008004100000022001400041245013000055210006900185260007100254300001400325490000700339520143400346100002401780700002301804700002701827700002201854700002601876856012801902       2012                        eng d  a0888-588500aPreparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol0 aPreparation of pure methyl esters from corresponding alkali meta  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB  a1498-15050 v513 a<p>In the present article, for the first time, we report the synthesis of alkyl esters by direct esterification of alkali metal salts of carboxylic acids using carbon dioxide and alcohol. Methyl acetate, methyl benzoate, methyl salicylate, and methyl lactate have been synthesized by esterification of sodium acetate, sodium benzoate, sodium salicylate, and calcium lactate, respectively. The esterification reaction was carried out in a batch as well as in a semicontinuous mode of operation. A detailed study on the esterification of calcium lactate using methanol and carbon dioxide was carried out to record the effects of various operating parameters (like CO2 pressure, reaction temperature, moisture content in the calcium lactate, and initial concentrations of calcium lactate) on the esterification reaction. This synthesis route produces highly pure methyl lactate by direct esterification of calcium lactate with calcium carbonate as byproduct. The byproduct calcium carbonate was characterized for its crystallinity, surface area, and pore volume. The process route has the advantage that the synthesized byproduct can be recycled into the fermenter to make corresponding alkali metal lactate or the finely precipitated calcium carbonate can be used for various other applications. Thus, the recovery and recycle of alkali metal is possible providing a pollution free process for synthesis of pure methyl lactate.</p>1 aBarve, Prashant, P.1 aKamble, Sanjay, P.1 aJoshi, Jyeshtharaj, B.1 aGupte, Milind, Y.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/preparation-pure-methyl-esters-corresponding-alkali-metal-salts-carboxylic-acids-using-002370nas a2200193   4500008004100000022001400041245022700055210006900282260007100351300001400422490000700436520149300443100002301936700002401959700002701983700001802010700002602028856012202054       2012                        eng d  a0888-588500aPurification of lactic acid via esterification of lactic acid using a packed column, followed by hydrolysis of methyl lactate using three continuously stirred tank reactors (CSTRs) in series: a continuous pilot plant study0 aPurification of lactic acid via esterification of lactic acid us  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB  a1506-15140 v513 a<p>The world market of lactic acid is growing every year, mainly as a solvent and precursor to poly(lactic acid) (PLA). The cost of renewable biomass-derived PLA will have to compete with other synthetic polymers, if it is to grab a significant and sustainable fraction of the market share. It is thus necessary to have efficient and cost-effective technology for the production of pure-grade lactic acid (LA). In this article, a novel cost-effective, eco-friendly continuous process for the production of high-quality lactic acid at pilot plant scale has been demonstrated. The novelty of this process is that, for the first time, we report and use the concept of inverse reactive distillation for the esterification of crude concentrated LA in a continuous countercurrent packed column mode. This allows us to operate the column at higher temperatures, improving the kinetic rate process and leading to shorter columns. This is followed by the hydrolysis of methyl lactate (MLA) in a series of three continuously stirred tank reactors (CSTRs), where LA itself acts as a catalyst. The LA obtained in the pilot plant process shows 99.81% purity (by weight) on water-free basis and has an optical purity of 99.9%. The pilot scale experimental results pertaining to the autocatalytic esterification of LA and hydrolysis of MLA have been compared and validated, with respect to simulated results. The innovations reported here can make the process economically viable for commercial use.</p>1 aKamble, Sanjay, P.1 aBarve, Prashant, P.1 aJoshi, Jyeshtharaj, B.1 aRahman, Imran1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/purification-lactic-acid-esterification-lactic-acid-using-packed-column-followed-001767nas a2200253   4500008004100000022001400041245011600055210006900171260007400240300001200314490000700326520086700333653001901200653000901219653002201228653003501250653001201285653000801297653000801305100002101313700002401334700002601358856012901384       2012                        eng d  a0928-070700aSodium-doped lithium zirconate nano squares: synthesis, characterization and applications for CO2 sequestration0 aSodiumdoped lithium zirconate nano squares synthesis characteriz  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcFEB  a316-3200 v613 a<p>Nano squares of sodium-doped lithium zirconate have been synthesized by a simple citrate based sol-gel method at room temperature in the presence of cetyl trimethylammonium bromide (CTAB) as a surfactant. The structural and morphological properties were investigated by X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM) respectively. XRD analysis of sample calcined at 900 A degrees C for 4 h shows the formation of monoclinic lithium zirconate phase. The TEM shows the interesting morphology of formation of nano squares of sodium doped lithium zirconate sample. The carbon dioxide sorption capacity was carried out by TGA analysis at different high temperatures. It is observed that the sample shows similar to 20 wt% carbon dioxide sorption at higher temperature (650 A degrees C) within 20 min which are better than the known reports.</p>10aCarbon dioxide10aCTAB10aLithium zirconate10aSodium doped lithium zirconate10asol-gel10aTEM10aXRD1 aKhokhani, Mrinal1 aKhomane, Ramdas, B.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/sodium-doped-lithium-zirconate-nano-squares-synthesis-characterization-and-applications-002003nas a2200229   4500008004100000022001400041245009300055210006900148260006700217300001200284490000700296520116600303653003101469653002201500653001901522653002301541653002001564100002101584700002601605700002201631856012001653       2013                        eng d  a0363-907X00aChemical looping reforming of ethanol for syngas generation: a theoretical investigation0 aChemical looping reforming of ethanol for syngas generation a th  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAY  a645-6560 v373 a<p>Chemical looping reforming (CLR) is a novel technology that can be used for reforming of cheaply available abundant biofuel like ethanol for the production of hydrogen/syngas for fuel cells. A systematic thermodynamic study for the CLR process using selected oxygen carriers was done to analyze the products and energy requirements of the CLR process in the temperature range of 5001200 degrees C at 1bar pressure for ethanol. The results showed favorable conditions for syngas manufacture from this process. Fe2O3 was found to be the best performing oxygen carrier followed by calcium and sodium sulfates, while Mn oxides were the least preferred oxygen carriers for CLR of ethanol process. The optimum process temperature was found to be 1000 degrees C. The actual CLR-ethanol process shows exothermicity against the theoretical endothermic partial oxidation of ethanol. The results obtained in this theoretical study can pave the way for experimental programs for syngas generation for SOFC-type fuel cells. Similar studies can be undertaken for other fuels for fuel processor development by CLR process. Copyright (c) 2012 John Wiley &amp; Sons, Ltd.</p>10achemical looping reforming10aethanol to syngas10aFuel Processor10aGibbs minimization10aoxygen carriers1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.1 aBharadwaj, K., V.  uhttps://library.ncl.res.in/content/chemical-looping-reforming-ethanol-syngas-generation-theoretical-investigation-002255nas a2200241   4500008004100000022001400041245008500055210006900140260007400209300000900283490000800292520136100300653002501661653003701686653002201723653003001745100002601775700002201801700002601823700002401849700002301873856011701896       2013                        eng d  a0049-697900aDefluoridation of drinking water using pural (R) MG-20 mixed hydroxide adsorbent0 aDefluoridation of drinking water using pural R MG20 mixed hydrox  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcSEP  a17270 v2243 a<p>The potential ofmixed alumina-magnesia hydroxide adsorbent (PURAL (R) MG-20) for defluoridation of drinking water using batch and continuous mode of operations has been reported in the present article. Systematic adsorption experiments were carried out to elucidate the effects of different process parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and effect of other ions (usually present in groundwater). These studies were aimed to understand the adsorption behaviour of the PURAL (R) MG-20 adsorbents. Fluoride adsorption by PURAL (R) MG-20 sorbent was found pH dependent. Maximum fluoride removal efficiency was observed in the range of pH 5-7. Langmuir isotherm described the data better than Freundlich and Temkin isotherm models and the adsorption capacity was found to be 5.62 mg g(-1) at initial fluoride concentration of 5.13 mg L-1, pH 7 and contact time 24 h. The kinetic result shows that the fluoride sorption follows pseudo-second-order kinetics. Column breakthrough studies were performed to test the performance of the adsorbent media at continuous mode of operation. Thus, it can be concluded that PURAL (R) MG-20 adsorbent can be used directly for field applications since it shows high fluoride uptake capacity under simulated drinking water conditions and it is also commercially available.</p>10aBreakthrough studies10aDefluoridation of drinking water10aKinetic modelling10aMixed hydroxide adsorbent1 aPatankar, Gaurang, V.1 aTambe, Amruta, S.1 aKulkarni, Bhaskar, D.1 aMalyshew, Alexander1 aKamble, Sanjay, P.  uhttps://library.ncl.res.in/content/defluoridation-drinking-water-using-pural-r-mg-20-mixed-hydroxide-adsorbent-001682nas a2200265   4500008004100000022001400041245005900055210005900114260006900173300000800242490000800250520082700258653001901085653002501104653002801129653000801157100002401165700001701189700002401206700002401230700002601254700002401280700001901304856009301323       2013                        eng d  a1010-603000aGreen synthesis of silver nanoparticles using sunlight0 aGreen synthesis of silver nanoparticles using sunlight  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAPR  a1-90 v2583 a<p>Silver nanoparticles (AgNPs) are currently among the most widely used man-made nanomaterials, present in a huge range of consumer products. Here we report a simple `green' method of AgNP synthesis of using an anionic surfactant without use of any additional reducing agents. It was observed that synthesis of AgNPs at room temperature (25-35 degrees C) using sodium dodecyl sulphate (SDS) and sunlight. The nanoparticles have been characterised using high-resolution transmission electron spectroscopy (HRTEM), UV-vis spectrophotometry, X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) and are found to have an average diameter of 30 nm. The nanoparticles are water soluble and the nature of the process is amenable to scaling up. (c) 2013 Elsevier B.V. All rights reserved.</p>10aphotochemistry10asilver nanoparticles10aSodium dodecyl sulphate10aXPS1 aBhaduri, Gaurav, A.1 aLittle, Ross1 aKhomane, Ramdas, B.1 aLokhande, Suhas, U.1 aKulkarni, Bhaskar, D.1 aMendis, Budhika, G.1 aSiller, Lidija  uhttps://library.ncl.res.in/content/green-synthesis-silver-nanoparticles-using-sunlight-001588nas a2200217   4500008004100000022001400041245006900055210006800124260010600192300001400298490000700312520080900319653002001128653002001148653001701168653002001185653002001205100002101225700002601246856009801272       2013                        eng d  a0360-319900aHydrogen generation with CO2 utilization: a solvay cluster study0 aHydrogen generation with CO2 utilization a solvay cluster study  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB  a2624-26330 v383 a<p>The fuel cell economy is yet to start research programs in hydrogen generation with CO2 utilization for hydrocarbon reforming processes used in fuel processor applications. A simple thermodynamic study using solvay clusters was done to investigate the feasibility of using the carbon species produced in the steam methane reforming process to produce value added chemicals. The results of this study are highly encouraging to start process development of closed systems of hydrogen generation with CO2 conversion to acetic acid/acrylic acid making easier the commercialization of fuel cells and hydrogen energy. Such studies can be specifically carried out for different fuel processor systems. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.</p>10aCO2 utilization10aFuel processing10aGibbs energy10aSolvay clusters10aSteam reforming1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/hydrogen-generation-co2-utilization-solvay-cluster-study-002522nas a2200265   4500008004100000022001400041245011700055210006900172260009500241300001400336490000700350520150500357653003001862653003101892653001801923653002301941653002501964100001801989700002902007700002202036700002402058700002302082700002602105856012502131       2014                        eng d  a0263-876200aBiodegradable iron chelate for H2S abatement: modeling and optimization using artificial intelligence strategies0 aBiodegradable iron chelate for H2S abatement modeling and optimi  a165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLANDbINST CHEMICAL ENGINEERScJUN  a1119-11320 v923 a<p>A batch reactor process for the abatement of a common pollutant, namely, H2S using Fe3+-malic acid chelate (Fe3+-MA) catalyst has been developed. Further, process modeling and optimization was conducted in the three stages with a view to maximize the H2S conversion: (i) sensitivity analysis of process inputs was performed to select the most influential process operating variables and parameters, (ii) an artificial neural network (ANN)-based data-driven process model was developed using the influential process variables and parameters as model inputs, and H2S conversion (%) as the model output, and (iii) the input space of the ANN model was optimized using the artificial immune systems (AIS) formalism. The AIS is a recently proposed stochastic nonlinear search and optimization method based on the human biological immune system and has been introduced in this study for chemical process optimization. The AIS-based optimum process conditions have been compared with those obtained using the genetic algorithms (GA) formalism. The AIS-optimized process conditions leading to high (approximate to 97%) H2S conversion, were tested experimentally and the results obtained thereby show an excellent match with the AIS-maximized H2S conversion. It was also observed that the AIS required lesser number of generations and function evaluations to reach the convergence when compared with the GA. (C) 2013 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.</p>10aArtificial immune systems10aArtificial neural networks10aBatch reactor10aGenetic algorithms10aSensitivity analysis1 aHamid, Aashti1 aDeshpande, Aniruddha, S.1 aBadhe, Yogesh, P.1 aBarve, Prashant, P.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/biodegradable-iron-chelate-h2s-abatement-modeling-and-optimization-using-artificial-002036nas a2200229   4500008004100000022001400041245007900055210006900134260007300203300001200276490000700288520122000295653002001515653002201535653001901557653002601576653002401602100002101626700002601647700002101673856011201694       2014                        eng d  a1876-107000aCombined gasification of lignite coal: thermodynamic and application study0 aCombined gasification of lignite coal thermodynamic and applicat  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN  a163-1730 v453 a<p>Combined gasification (a combination of steam gasification and CO2 gasification) without air is an important process for research in coal gasification to reduce the steam generation energy in the gasification system and also to enhance the slow CO2 gasification reaction. A thermodynamic study involving the effect of temperature, pressure and feed CO2 and steam ratios in gasification of lignite coal was studied in this paper. The product generation trends of syngas and methane with carbon (in coal) conversion were studied in detail. The carbon (in lignite coal) was converted completely at a lower temperature than pure carbon in the combined gasification. Some applications of the gasifier product gas were also studied. Combined gasification offers great advantages to produce syngas of exact ratio in one step for use in petrochemical manufacture and fuel cell systems. The complete carbon (in coal) conversion occurred beyond the thermoneutral gasification temperature in the study. The combined gasification process was a useful way for CO2 utilization reducing the net CO2 emission to the atmosphere. (C) 2013 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.</p>10aCO2 utilization10aCoal gasification10aCoal to syngas10aCombined gasification10aThermodynamic study1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.1 aChavan, Rank, N.  uhttps://library.ncl.res.in/content/combined-gasification-lignite-coal-thermodynamic-and-application-study-001820nas a2200181   4500008004100000022001400041245014200055210006900197260007100266300001600337490000700353520106200360100002101422700002001443700002301463700002601486856012601512       2014                        eng d  a0888-588500aEfficient conversion of cellulose to levulinic acid by hydrothermal treatment using zirconium dioxide as a recyclable solid acid catalyst0 aEfficient conversion of cellulose to levulinic acid by hydrother  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a18796-188050 v533 a<p>Conversion of cellulose into platform chemicals is essential for sustainable development of the chemical industry. With this aim, single step hydrothermal conversion of cellulose to industrially important levulinic acid using zirconium dioxide as a catalyst has been investigated. A remarkably high yield (53.9 mol %) of levulinic acid with excellent accountability and total conversion of cellulose has been achieved at 180 degrees C reaction temperature and reaction time of 3 h with 2 wt % of catalyst and 2 g of cellulose. The major products identified were levulinic acid (LA), formic acid (FA), 5-hydroxymethylfurfural (5-HMF), furfural, and humins. Formation of humins during cellulose hydrolysis and dehydration was observed and is also confirmed by NMR and FTIR analysis. The effect of various reaction parameters such as temperature, time, substrate concentration, and catalyst loading on conversion and selectivity has been studied. The catalyst has been regenerated and recycled several times without any loss of activity and selectivity.</p>1 aJoshi, Sunil, S.1 aZodge, Amit, D.1 aPandare, Kiran, V.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/efficient-conversion-cellulose-levulinic-acid-hydrothermal-treatment-using-zirconium-002189nas a2200217   4500008004100000022001400041245005700055210005700112260006700169300001200236490000600248520147100254653002501725653002001750653001801770653002201788653002601810100002101836700002601857856008801883       2014                        eng d  a1932-213500aThermoneutral conditions in dry reforming of ethanol0 aThermoneutral conditions in dry reforming of ethanol  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcMAR  a196-2040 v93 a<p>The reaction enthalpy (Delta H) of reforming processes like steam and dry (CO2) reforming is of great importance for scale-up and process development. Generally, the reforming processes are considered endothermic in nature. However, a detailed study of the reaction enthalpy of reforming process, taking the example of dry reforming of ethanol considered in this study, reveals the existence of exothermic reaction enthalpy at low temperatures. A study of reaction enthalpy of ethanol dry reforming within pressure (1-10 bar), temperature range (300-900 degrees C), and CO2 to carbon in ethanol ratio (CCER 1-5) was initiated to determine the existence of thermoneutral temperatures for the overall reaction. The variation of thermoneutral conditions and product yields at the thermoneutral temperatures was studied. The utilization potential of the products generated at thermoneutral conditions was also evaluated. The low-pressure thermoneutral operation favored higher hydrogen production, lower methane and water formation, whereas the high-pressure thermoneutral operation favored product gas of lower syngas ratio with higher CO2 conversion (utilization) in the process. The study can be extended to steam and dry reforming of other fuels to generate valuable products at thermoneutral conditions avoiding use of air in the process and subsequent N-2 dilution of the product gas. (c) 2013 Curtin University of Technology and John Wiley &amp; Sons, Ltd.</p>10acarbon nanofilaments10aCO2 utilization10aDry reforming10aethanol to syngas10athermoneutral process1 aKale, Ganesh, R.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/thermoneutral-conditions-dry-reforming-ethanol-001884nas a2200229   4500008004100000022001400041245005500055210005400110260007900164300001200243490000700255520112700262653001401389653001501403653002101418653003701439653001501476100002301491700002701514700002601541856008701567       2015                        eng d  a0167-829900aFruit peel waste as a novel low-cost bio adsorbent0 aFruit peel waste as a novel lowcost bio adsorbent  aGENTHINER STRASSE 13, D-10785 BERLIN, GERMANYbWALTER DE GRUYTER GMBHcAUG  a361-3810 v313 a<p>Fruit peel waste (FPW) is abundantly available from the agricultural and food processing industry and has been studied in recent past as an adsorbent. This paper critically reviews the reported work and investigates various FPW-pollutant systems. The study includes statistics of FPW generation, modification, characterization, adsorption ability, recovery/regeneration, and modeling (isotherms, kinetics, and thermodynamics) of batch adsorption. It is found that orange and banana peels are the most extensively studied adsorbents, whereas Pb2+ and methylene blue are the most efficiently removed pollutants, the Langmuir and Freundlich adsorption isotherms provide the best fit in most of the cases, and in general, pseudo-second-order kinetics is followed. There are very limited column studies and no report on commercial plant. Though the reproducibility of the results is poor, FPW has a great potential in the wastewater treatment due to its abundant and cheap availability. FPW can be used for removal of heavy metals and dyes; however, removal of organic and gaseous impurities needs further investigation.</p>10aadsorbent10aAdsorption10afruit peel waste10aorganic and inorganic pollutants10awastewater1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/fruit-peel-waste-novel-low-cost-bio-adsorbent-002540nas a2200301   4500008004100000022001400041245008400055210006900139260011100208300001200319490000700331520149700338653001701835653001801852653002301870653002301893653002401916653001301940653001401953653001401967653002201981100003302003700001502036700002302051700002402074700002602098856011402124       2015                        eng d  a1386-207300aRole of chemical reactivity and transition state modeling for virtual screening0 aRole of chemical reactivity and transition state modeling for vi  aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJAN  a638-6570 v183 a<p>Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product-like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.</p>10afingerprints10aintermediates10ametabolic pathways10aproduct-like score10areactant-like score10areaction10ascreening10asynthesis10avirtual screening1 aKarthikeyan, Muthukumarasamy1 aVyas, Renu1 aTambe, Sanjeev, S.1 aRadhamohan, Deepthi1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/role-chemical-reactivity-and-transition-state-modeling-virtual-screening-002881nas a2200325   4500008004100000022001400041245011500055210006900170260011100239300001200350490000700362520173200369653001702101653001902118653001902137653002002156653003402176653001602210653001502226653002102241653001802262653001602280100001502296700001802311700001502329700002302344700003302367700002602400856012902426       2015                        eng d  a1386-207300aStudy of applications of machine learning based classification methods for virtual screening of lead molecules0 aStudy of applications of machine learning based classification m  aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcAUG  a658-6720 v183 a<p>The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 %) and toxicophoric (70.64 %). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.</p>10aAnti-anginal10aanti-arrythmic10aanti-bacterial10aanti-convulsant10aanti-depressant anti-diabetic10abinary QSAR10achemophore10amachine learning10apharmacophore10atoxicophore1 aVyas, Renu1 aBapat, Sanket1 aJain, Esha1 aTambe, Sanjeev, S.1 aKarthikeyan, Muthukumarasamy1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/study-applications-machine-learning-based-classification-methods-virtual-screening-lead-002571nas a2200157   4500008004100000245014900041210006900190260000800259300001400267490000700281520192300288100002202211700002702233700002602260856012702286       2016                        eng d00aAdsorptive removal of 2,4-dichlorophenoxyacetic acid from aqueous solution using bagasse fly ash as adsorbent in batch and packed-bed techniques0 aAdsorptive removal of 24dichlorophenoxyacetic acid from aqueous   cAUG  a1971-19830 v183 aAmong the several synthetic herbicides available currently, 2,4-D is a commonly used herbicide to control broadleaf weeds in agriculture and forestry. However, its increasing use in agricultural and nonagricultural activities has resulted in increasing concentrations of 2,4-D being detected in water bodies. Thus, there is a need to identify methods to remove 2,4-D to protect the environment. Among the various methods used for 2,4-D removal, adsorption is found to be effective, and several adsorbents have been studied to remove 2,4-D from aqueous solutions. In this study, we used bagasse fly ash (BFA), a common industrial waste generated in large amount worldwide, for 2,4-D removal from aqueous solution using batch and continuous packed-bed adsorption. In the batch adsorption process, the effects of initial concentration, contact time, temperature, pH, and particle size of BFA were studied. The packed-bed performance of BFA was investigated by varying the influent concentration (50-150 mg/L), flow rate (1.2-4 mL/min), and bed height (4.5-9 cm). Isotherm and thermodynamic parameters are determined for batch adsorption, whereas the performance of continuous adsorption is evaluated by different packed-bed models. The particle-size effect indicated the higher removal of 2,4-D on the bigger particles of BFA due to greater BET surface area and carbon-to-silica ratio than smaller particles. The maximum percentage removal (37.04) is achieved for an influent concentration of 50 mg/L, flow rate of 1.2 mL/min, and bed height of 6.5 cm. For the first time ever, the deactivation kinetic model was applied for the solid-liquid adsorption system and it showed the best fit among the selected models. The bed capacity (m(2)/g) of BFA is three times greater than synthetic activated carbon for adsorption of 2,4-D. This informs that the BFA can be used as an adsorbent for 2,4-D removal from aqueous solution.1 aDeokar, Sunil, K.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/adsorptive-removal-24-dichlorophenoxyacetic-acid-aqueous-solution-using-bagasse-fly-ash02184nas a2200181   4500008004100000245012500041210006900166260000800235300001600243490000700259520149700266100002201763700001801785700001701803700002701820700002601847856012901873       2016                        eng d00aAdsorptive removal of diuron on biomass ashes: a comparative study using rice husk ash and bagasse fly ash as adsorbents0 aAdsorptive removal of diuron on biomass ashes a comparative stud  cJAN  a22378-223910 v573 aThis study describes the use of two types of biomass ashes (BMAs) as adsorbents for diuron removal. Two BMAs, namely rice husk ash (RHA) and bagasse fly ash (BFA), were used in this study, and their adsorption behavior and adsorption mechanism were compared based on various characteristics, such as surface area, pore diameter, and volume. It was found that the particle size and the composition of these BMAs, especially the content of carbon and silica, primarily affect the adsorption kinetics and capacity. Compared with RHA, BFA has more carbon content (47.37%), and therefore shows higher adsorption capacity (43.48mol/g). In addition, BFA has larger external surface area and exhibited faster kinetics at the initial adsorption stage; by contrast, RHA due to its larger pore diameter allows for faster pore adsorption and surpasses the initial kinetic rate of BFA. For the same particle size (0.354-0.251mm), the equilibrium capacity of BFA was found to be four times greater than that of RHA; in addition, the surface area of BFA is two times more than that of RHA, suggesting that BFA has more active sites than RHA. It was found that solution pH influences adsorption mechanism of diuron molecule on BMA. The uptake capacity of BFA and RHA is 10 times greater than natural adsorbents such as soil and is comparable with synthetic adsorbents such as activated carbon and multiwalled carbon nanotubes. To our knowledge, removal of diuron using ashes has not been reported previously.1 aDeokar, Sunil, K.1 aSingh, Diksha1 aModak, Sweta1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/adsorptive-removal-diuron-biomass-ashes-comparative-study-using-rice-husk-ash-and-bagasse02040nas a2200157   4500008004100000245014900041210006900190260000800259300001600267490000700283520138800290100002201678700002701700700002601727856012901753       2016                        eng d00aAgro-industrial waste: a low cost adsorbent for effective removal of 4-chloro-2-methylphenoxyacetic acid herbicide in batch and packed bed modes0 aAgroindustrial waste a low cost adsorbent for effective removal   cAUG  a16164-161750 v233 aThe present work describes the aqueous phase removal of 4-chloro-2-methylphenoxyacetic acid herbicide by rice husk ash (RHA) using batch and packed bed adsorption techniques. The effects of dosage, initial concentration, time, pH, temperature, and particle size of adsorbent in batch compared with effects of influent concentration, flow rate, and bed height in packed bed were studied. The particle size effect reveals that the removal is dependent on chemical composition (silica and carbon content) together with BET surface area of RHA. The aptness of Langmuir isotherm to batch data indicates the favorable adsorption whereas that of Temkin isotherm informs the heterogeneous nature of RHA. The kinetics of adsorption follows the pseudo-second order and Elovich models while thermodynamics of process indicates the exothermic adsorption. Among the models applied in packed bed study, the deactivation kinetic, Yoon-Nelson and bed depth service time (BDST) models are suitable to explain the packed bed adsorption. The adsorption capacity of RHA in packed bed study is found greater than that in batch. The adsorption capacity of RHA determined by the BDST model is 3019 mg/L for 90 % saturation of bed. The adsorption capacity of RHA based on weight is similar to 2.3 times and that based on surface area is similar to 55.55 times greater than that of granular activated carbon.1 aDeokar, Sunil, K.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/agro-industrial-waste-low-cost-adsorbent-effective-removal-4-chloro-2-methylphenoxyacetic01657nas a2200229   4500008004100000022001400041245006000055210006000115260010200175300001200277490000800289520087100297653002401168653001201192653001601204653001401220653002701234100002201261700002701283700002601310856009101336       2016                        eng d  a0011-389100aBehaviour of biomass multicomponent ashes as adsorbents0 aBehaviour of biomass multicomponent ashes as adsorbents  aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScJAN  a180-1860 v1103 a<p>Physico-chemical characteristics of rice husk ash and baggase fly ash, commonly referred to as biomass ashes enable their use as adsorbents. Contrary to normal expectations, it is observed that larger particles have more number, narrower and deeper pores than smaller particles. As a consequence they have higher pore volume, total surface area and hence adsorption capacity. Also, the uptake rate of adsorption depends on the silica to carbon ratio, which is seen to be smaller for larger particles and hence they take a longer time to reach equilibrium. The extent of carbon content determines the capacity, whereas silica to carbon ratio determines the kinetics of adsorption. Removal of 2,4-dichlorophenoxyacetic acid, from aqueous solution was chosen as a representative case for study and the results obtained are compared with earlier reported results.</p>10aAdsorption capacity10abagasse10abiomass ash10arice husk10asilica to carbon ratio1 aDeokar, Sunil, K.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/behaviour-biomass-multicomponent-ashes-adsorbents-002122nas a2200193   4500008004100000245016100041210006900202260000800271300001000279490000700289520137600296100001501672700001801687700001501705700003301720700001901753700002601772856013001798       2016                        eng d00aBuilding and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis0 aBuilding and analysis of proteinprotein interactions related to   cDEC  a37-440 v653 aIn order to understand the molecular mechanism underlying any disease, knowledge about the interacting proteins in the disease pathway is essential. The number of revealed protein-protein interactions (PPI) is still very limited compared to the available protein sequences of different organisms. Experiment based high-throughput technologies though provide some data about these interactions, those are often fairly noisy. Computational techniques for predicting protein protein interactions therefore assume significance. 1296 binary fingerprints that encode a combination of structural and geometric properties were developed using the crystallographic data of 15,000 protein complexes in the pdb server. In a case study, these fingerprints were created for proteins implicated in the Type 2 diabetes mellitus disease. The fingerprints were input into a SVM based model for discriminating disease proteins from non disease proteins yielding a classification accuracy of 78.2% (AUC value of 0.78) on an external data set composed of proteins retrieved via text mining of diabetes related literature. A PPI network was constructed and analysed to explore new disease targets. The integrated approach exemplified here has a potential for identifying disease related proteins, functional annotation and other proteomics studies. (C) 2016 Elsevier Ltd. All rights reserved.1 aVyas, Renu1 aBapat, Sanket1 aJain, Esha1 aKarthikeyan, Muthukumarasamy1 aTambe, Sanjeev1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/building-and-analysis-protein-protein-interactions-related-diabetes-mellitus-using-support02197nas a2200169   4500008004100000245005500041210005500096260000800151300001600159490000700175520165800182100002701840700002701867700002001894700002601914856008701940       2016                        eng d00aCharacterization and valorization of biomass ashes0 aCharacterization and valorization of biomass ashes  cOCT  a20243-202560 v233 aIn India, farming is the primary source of income for many families. Following each harvest, a huge amount of biomass is generated. These are generally discarded as "agrowaste," but recent reports have indicated several beneficial uses for these biomasses and their ashes. However, before the utilization of biomass ashes (BMAs), their chemical and physical properties need to be investigated (characterized) so as to utilize their potential benefit to the fullest. In this paper, eight different biomass ashes (soybean plant ash, mustard plant ash, maize ash, groundnut plant ash, cotton plant ash, wheat plant ash, pigeon peas ash, and groundnut shell ash) were characterized, and their chemical properties are discussed. Surface chemical composition analysis, proximate analysis, and ultimate analysis were performed on all BMA samples, and properties such as porosity, particle density, bulk density, point of zero charge, BET surface area, water-absorption capacity, and bulk parameters such as surface pH and surface charges were determined. BMAs were characterized by SEM and FTIR. The surface areas of biomass ashes vary from 1.9 to 46 m(2)/g, and point of zero charge for all BMAs exceed 9.8, which confirmed the alkaline nature of these samples. Based on the chemical composition, BMAs are categorized into four types (S, C, K, and CK), and their utilization is proposed based on the type. BMAs find applications in agriculture and construction industries; glass, rubber, and zeolite manufacturing; and in adsorption (as a source of silica/zeolites). The paper also discusses the research challenges and opportunities in utilization of BMAs.
1 aTrivedi, Nikhilesh, S.1 aMandavgane, Sachin, A.1 aMehetre, Sayaji1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/characterization-and-valorization-biomass-ashes02108nas a2200217   4500008004100000022001400041245006200055210006200117260010200179300001400281490000800295520131400303653001701617653003001634653001801664653003801682100002301720700002701743700002601770856009401796       2016                        eng d  a0011-389100aCharacterizing fruit and vegetable peels as bioadsorbents0 aCharacterizing fruit and vegetable peels as bioadsorbents  aC V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIAbINDIAN ACAD SCIENCEScJUN  a2114-21230 v1103 a<p>Fruit and vegetable peel (FVP) wastes are a commonly generated organic waste from both households and food-processing industries. However, FVPs are low-cost lignocellulosic materials that have some potential for reutilization. For its particular reutilization, the characterization of FVP is essential. In this regard, the present study provides a detailed physico-chemical characterization of commonly used FVPs such as pomegranate, pineapple, watermelon, garlic, green pea and pigeon pea. The materials were characterized by SEM, FTIR and TGA/DTG. Various properties of these materials, such as porosity, particle density, bulk density, surface charges, point of zero charge, surface pH, water absorption capacity and BET surface area were determined. The BET surface area of FVP was found in the range 1.0-1.4 m(2)/g. Water absorption capacity was highest for watermelon peel (11.5 ml/g), while it was lowest for pigeon pea peel (5.5 ml/g). Point of zero charge and surface pH of all FVPs were in the acidic range 3-6. The surface of FVP was irregular and rough with some pores. Thermal analysis showed that FVPs are thermally stable below 150 degrees C. The results of this study provide an understanding of the properties of FVPs and suggest that the materials can be used as a low-cost adsorbent.</p>10aBioadsorbent10afruit and vegetable peels10aorganic waste10aphysico-chemical characterization1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/characterizing-fruit-and-vegetable-peels-bioadsorbents02276nas a2200157   4500008004100000245012800041210006900169260000800238300001600246490000700262520164900269100002201918700002701940700002601967856012501993       2016                        eng d00aComparative evaluation of packed-bed performance of biomass ashes as adsorbents for removal of diuron from aqueous solution0 aComparative evaluation of packedbed performance of biomass ashes  cDEC  a28831-288460 v573 aThe packed-bed performance of biomass ashes (BMA), namely rice husk ash (RHA) and bagasse fly ash (BFA), was investigated for adsorptive removal of diuron (herbicide) under dynamic conditions. The effects of influent concentration (10-30mg/L), flow rate (1-3mL/min), and bed height (3-11cm) were studied at 30 degrees C and results were analyzed using various packed-bed models. The saturation time and capacity of the BFA bed were found to be approximately 1.5 and 1.6 times higher due to higher BET surface area than that of RHA bed. However, the bed utilization of RHA was higher because of smaller mass transfer zone. At a constant influent concentration (20mg/L) and flow rate (1mL/min), the maximum volume of diuron treated was 1,325 and 1,685mL using RHA (bed height 10cm) and BFA (bed height 11cm), respectively. Among the packed-bed models applied, the BDST model revealed the inconsistent MTZ and complex mechanism involving more than one rate-controlling step for the adsorption of diuron on both ashes. The kinetics in the initial part of the breakthrough curve was governed by external mass transfer according to the Bohart-Adams and Wolborska models. Better agreements between experimental and predicted values of bed capacities for each ash and the higher bed capacity of BFA than RHA were demonstrated by the Thomas model. The Yoon-Nelson model was found to be superior for BFA rather than for RHA to estimate 50% saturation time. However, the deactivation kinetic model, previously discovered and applied only for gas-solid adsorption, was found to be the best for the diuron-BMA (liquid-solid) adsorption system in this study.1 aDeokar, Sunil, K.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/comparative-evaluation-packed-bed-performance-biomass-ashes-adsorbents-removal-diuron02624nas a2200265   4500008004100000022001400041245016000055210006900215260008600284300001400370490000800384520154200392653003901934653002501973653002401998653004102022653003002063653003202093100002402125700001602149700002202165700002302187700002602210856012202236       2016                        eng d  a0098-644500aHigh ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms0 aHigh ash char gasification in thermogravimetric analyzer and pre  a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJAN  a1029-10440 v2033 a<p>The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.</p>10aChar gasification kinetic modeling10aData-driven modeling10agenetic programming10aMultilayer perceptron neural network10asupport vector regression10aThermo-gravimetric analyzer1 aPatil-Shinde, Veena1 aSaha, Sujan1 aSharma, Bijay, K.1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/high-ash-char-gasification-thermo-gravimetric-analyzer-and-prediction-gasification01574nas a2200181   4500008004100000245007900041210006900120260000800189300001400197490000700211520095600218100002201174700002401196700001701220700002601237700002301263856010601286       2016                        eng d00aKinetic studies on an algal biofilm reactor for raw sewage water treatment0 aKinetic studies on an algal biofilm reactor for raw sewage water  cSEP  a1629-16350 v393 aA packed-bed algae biofilm reactor was developed using porous and nonporous dual packings. The biofilm was cultivated on reticulated polyurethane foam cubes. The nonporous glass Raschig rings were taken as bed support that helps to remove generated gas from the system. The effect of variables such as column length-to-diameter ratio, catalyst cube dimension, and feed flow rate on the treatment of sewage water was studied. The reaction kinetics indicates that the nutrients uptake rate is dependent on both pore and film diffusion. The kinetics of uptake of nutrients follows a pseudo first-order reaction. From the pseudo reaction rate constant, Thiele modulus and effectiveness factor were calculated and a kinetic model equation for fractional nutrient uptake was developed in terms of operating variables. The model can predict the reaction rate with low deviation. The results obtained may be valuable for large-scale treatment of sewage water.1 aGera, Gayatri, S.1 aYewalkar, Swati, N.1 aNene, Sanjay1 aKulkarni, Bhaskar, D.1 aKamble, Sanjay, P.  uhttps://library.ncl.res.in/content/kinetic-studies-algal-biofilm-reactor-raw-sewage-water-treatment-002129nas a2200157   4500008004100000245011200041210006900153260000800222300001600230490000700246520150800253100002701761700002701788700002601815856013001841       2016                        eng d00aMustard plant ash: a source of micronutrient and an adsorbent for removal of 2,4-dichlorophenoxyacetic acid0 aMustard plant ash a source of micronutrient and an adsorbent for  cOCT  a20087-200990 v233 aThe work highlights the utilization of an agricultural waste mustard plant ash (MPA) as a soil additive and an adsorbent. MPA was characterized by X-ray fluorescence (XRF), energy-dispersive X-ray spectroscopy (EDX), proximate analysis, CHNS analysis, Brunauer-Emmett-Teller (BET) surface area analysis, zeta potential measurements, Fourier transform infrared (FTIR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRF analysis confirmed the presence of CaO (31.35 %), K2O (18.55 %), and P2O5 (6.99 %), all of which act as micronutrients to plants. EDX also confirms high amount of elemental O, Ca, K, and P. The adsorptive ability of MPA was investigated using a commonly used herbicide, 2,4-dichlorophenoxyacetic acid (2,4-D), as a representative chemical. Batch adsorption experiments were conducted to study the effect of different operational parameters such as adsorbent dose, initial 2,4-D concentration, contact time, and temperature on the adsorption process. Data from experiments were fitted to various kinetic and isothermal models. The pseudo-second-order kinetic model was found to show the best fit (R (2) > 0.99), with the highest k (2) value of the order 10(5). Based on the study results, dosage of MPA/hectare for different crops has been recommended for effective removal of 2,4-D. To our knowledge, this is the first study in which MPA has been characterized in detail and investigated for dual applications (as an adsorbent and as a soil additive).1 aTrivedi, Nikhilesh, S.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/mustard-plant-ash-source-micronutrient-and-adsorbent-removal-24-dichlorophenoxyacetic-acid02212nas a2200289   4500008004100000022001400041245016400055210006900219260011000288300001000398490000700408520106800415653003101483653002701514653002501541653003301566653001601599653003501615653001901650653002001669100001801689700002001707700002201727700002601749700002301775856012401798       2016                        eng d  a0376-471000aPhotocatalytic degradation of ciprofloxacin center dot HCl using Aeroxide (R) P-25 TiO2 photocatalyst: comparative evaluation of solar and artificial radiation0 aPhotocatalytic degradation of ciprofloxacin center dot HCl using  aDR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATION-NISCAIRcJAN  a16-220 v553 a<p>The photocatalytic degradation of ciprofioxacin (CFX) has been investigated using Aeroxide (R) P-25 TiO2 photocatalyst in the presence of solar as well as artificial radiation. The effects of different operating parameters like initial concentration of CFX, catalyst loading, pH of solution and effect of co-existing ions on photocatalytic degradation of CFX have been investigated with a view to establish the optimum operating conditions. It is observed that as the initial concentration of CFX increases, the rate of photocatalytic degradation decreases. Optimum catalyst loading is observed at 1 g L-1 for CFX concentration of 100 mg L-1. Over the pH range 3-11, maximum degradation rate occurs at pH 9. The mechanism and intermediates formed during the photocatalytic degradation of CFX are discussed based on UPLC-MS/MS analysis. From kinetic studies, it is found that the photocatalytic degradation obeys pseudo-first order kinetics. The degradation rate constant using solar radiation is about 1.7 times higher than that under artificial radiation.</p>10aAdvanced oxidation process10aAeroxide (R) P-25 TiO210aArtificial radiation10aCiprofloxacin center dot HCl10aDegradation10aPharmaceutical micropollutants10aPhotocatalysis10aSolar radiation1 aShetty, Rohit1 aKothari, Gaurav1 aTambe, Amruta, S.1 aKulkarni, Bhaskar, D.1 aKamble, Sanjay, P.  uhttps://library.ncl.res.in/content/photocatalytic-degradation-ciprofloxacin-center-dot-hcl-using-aeroxide-r-p-25-tio2-002412nas a2200289   4500008004100000022001400041245015200055210006900207260007900276300001200355490000700367520132100374653002401695653003401719653002401753653002101777653002401798100001801822700002401840700001701864700002701881700001501908700002301923700001901946700002601965856013101991       2016                        eng d  a2194-574800aPrediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models0 aPrediction of reactivity ratios in free radical copolymerization  aGENTHINER STRASSE 13, D-10785 BERLIN, GERMANYbWALTER DE GRUYTER GMBHcFEB  a361-3720 v143 a<p>The principal deficiency of the widely utilized Alfrey-Price (AP) scheme for computing reactivity ratios in the widely used free radical copolymerization is that it ignores important factors, such as the steric effects. This often leads to inaccurate reactivity ratio predictions by AP model. Accordingly, in this study, exclusively data-driven, Q-e parameter-based new models have been developed for the reactivity ratio prediction in free radical copolymerization. In the model development, a novel artificial intelligence formalism known as ``genetic programming (GP)'' that performs symbolic regression has been employed. The GP-based models possess a different functional form than AP model. Further, parameters of GP-based models were fine-tuned using Levenberg-Marquardt (LM) nonlinear regression method. A comparison of AP, GP and GP-LM as well as artificial neural network (ANN)-based models indicates that GP and GP-LM models exhibit superior reactivity ratio prediction accuracy and generalization performance (with correlation coefficient magnitudes close to or greater than 0.9) when compared with AP and ANN models. The GPbased reactivity ratio prediction models developed here due to their higher accuracy and generalization capability have the potential of replacing the widely used AP models.</p>10aAlfrey-Price scheme10afree radical copolymerization10agenetic programming10areactivity ratio10asymbolic regression1 aShrinivas, K.1 aKulkarni, Rahul, P.1 aShaikh, Saif1 aGhorpade, Ravindra, V.1 aVyas, Renu1 aTambe, Sanjeev, S.1 aPonrathnam, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/prediction-reactivity-ratios-free-radical-copolymerization-monomer-resonance-polarity-q-e-101441nas a2200229   4500008004100000022001400041245012400055210006900179260008600248300001600334490000700350520055900357653001500916653001600931653001800947653001900965653002500984100002301009700002701032700002601059856012601085       2016                        eng d  a1944-399400aUtilization of banana peel for the removal of benzoic and salicylic acid from aqueous solutions and its potential reuse0 aUtilization of banana peel for the removal of benzoic and salicy  a530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcJUN  a12717-127290 v573 a<p>We report on the adsorptive removal of benzoic acid (BA) and salicylic acid (SA) using banana peel (BP), an abundantly available agricultural waste material, for the first time. BP was characterized by proximate analysis, FT-IR, scanning electron microscopy, BET surface area, and XRF. The number of basic sites on BP (4.9mmolg(-1)) is relatively more than acidic sites (0.75mmolg(-1)). The Langmuir uptake capacity values obtained are 6.62mgg(-1) for BA and 9.80mgg(-1) for SA. A mechanism for binding acid molecule to the BP surface is proposed.</p>10aAdsorption10aBanana peel10aBenzoic acids10aSalicylic acid10aWastewater treatment1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/utilization-banana-peel-removal-benzoic-and-salicylic-acid-aqueous-solutions-and-its-001701nas a2200157   4500008004100000245005600041210005500097260000800152300001200160490000700172520120300179100002301382700002701405700002601432856008501458       2016                        eng d00aValorization of banana peel: a biorefinery approach0 aValorization of banana peel a biorefinery approach  cDEC  a651-6660 v323 aBanana peel (BP) is an agrowaste produced in large volumes annually, especially by food-processing industries; however, its disposal is of significant concern. However, recent research suggests that BP is a valuable source of bioactive compounds, which can be converted into value-added products. This article reviews the conversion process of value-added products from BP and provides an outline on the chemical composition of BP and its possible applications. In addition, we also discuss the - utilization of BP as a substrate to produce animal feed, biofertilizer, dietary fibers, clean energy, industrial enzymes, as well as its use in the synthesis of nanomaterials. Based on the research conducted so far, it is obvious that BP has a wide variety of applications, and thus, developing a biorefinery approach to adequately utilize BP will help realize its economic benefits to the fullest. Based on the valorization of BP, a scheme for BP biorefinery has been proposed. A material balance for BP biorefinery for 1-ton bone-dry BP is presented and our results show that 432 kg of protein or 170 kg of citric acid, 170 kg of pectin, 325 m(3) of ethanol, and 220 m(3) of methane can be produced.1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/valorization-banana-peel-biorefinery-approach01842nas a2200157   4500008004100000245006200041210006100103260000800164300001200172490000800184520132000192100002301512700002701535700002601562856009601588       2017                        eng d00aFruit peel waste: characterization and its potential uses0 aFruit peel waste characterization and its potential uses  cAUG  a444-4540 v1133 aGlobally, India is the leading producer of fruits. Fruits after consumption leave a peel which is a nuisance to the environment as a solid waste. In this article, commonly available large volume-fruit peels (FP) (viz. banana, orange, citrus, lemon and jackfruit) were investigated for surface, physical and chemical characteristics with a view to propose their valorization in detail. Each FP was characterized by proximate and ultimate analysis, porosity, particle density, bulk density, point of zero charge (pH(pzc)), surface pH, surface charges, water absorption capacity, BET surface area, scanning electron microscopy, Fourier transform infrared spectroscopy and TGA/derivative of thermogravimetric. The BET surface area of FP is very less, between 0.60 and 1.2 m(2)/g. The pH(pzc) and surface pH values of orange peel (OP), citrus peel (CP), lemon peel (LP) and jackfruit peels (JFP) are in the range of 3-4. The pH(pzc) value and surface pH of banana peel (BP) is closer to 7. The order of surface acidity is OP > LP > CP > JFP > BP. From TG curves it is clear that FPs are stable below 150 degrees C. The results will be useful for rational design, when FP is used as a substrate for bioactive compounds, phenolic antioxidants, organic acids, enzymes, biofertilizer, production of energy and as adsorbents.1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/fruit-peel-waste-characterization-and-its-potential-uses02171nas a2200169   4500008004100000245014400041210006900185260000800254490000700262520148400269100001801753700002201771700003201793700002601825700002301851856012701874       2017                        eng d00aPhotocatalytic degradation of pharmaceuticals pollutants using N-doped TiO 2 photocatalyst: identification of CFX degradation intermediates0 aPhotocatalytic degradation of pharmaceuticals pollutants using N  cFEB0 v593 aThe N-doped TiO2 photocatalyst was synthesized by the sol–gel method and characterized in detail in terms of its morphology, structure and composition. The prepared N-doped TiO2 exhibited polycrystalline structure having particle sizes of around 50–120 nm and rod-shaped geometry. The N-doped TiO2 was subsequently used for the photocatalytic degradation (PCD) of pharmaceutical micropollutants, namely ciprofloxacin HCl (CFX), naproxen (NPX) and paracetamol (PARA) and it was found that the rate of degradation of CFX and NPX is higher than that of PARA. To verify the beneficial effect of N-doped TiO2 for PCD of CFX, similar experiments were carried out using commercially available Aeroxide P-25 TiO2. It was observed that N-doped TiO2 was more efficient than Aeroxide® P-25 TiO2. It was also found that the PCD of CFX in the presence of N-doped TiO2 was highly efficient under the solar radiation as compared with artificial radiation. The effect of various operating parameters, such as adsorption of CFX, pH of the aqueous solution, effect of co-existing ions on PCD of CFX, was investigated using artificial radiation and optimum conditions were established. The intermediates formed during the PCD of CFX were identified using liquid chromatography tandem mass chromatography (LC-MS/MS). The presented results demonstrate that N-doped TiO2 photocatalyst shows excellent photocatalytic activity in the visible region for the degradation of pharmaceutical pollutants.1 aShetty, Rohit1 aChavan, Vilas, B.1 aKulkarni, Prashant, Shripad1 aKulkarni, Bhaskar, D.1 aKamble, Sanjay, P.  uhttps://library.ncl.res.in/content/photocatalytic-degradation-pharmaceuticals-pollutants-using-n-doped-tio-2-photocatalyst02246nas a2200289   4500008004100000022001400041245013800055210006900193260000800262300001000270490000700280520126700287653001901554653001101573653001201584653002401596653002101620653003301641653002401674100001501698700001801713700001601731700003301747700002301780700002601803856012701829       2018                        eng d  a1545-596300aApplication of genetic programming (GP) formalism for building disease predictive models from protein-protein interactions (PPI) data0 aApplication of genetic programming GP formalism for building dis  cFEB  a27-370 v153 a<p>Protein-protein interactions (PPIs) play a vital role in the biological processes involved in the cell functions and disease pathways. The experimental methods known to predict PPIs require tremendous efforts and the results are often hindered by the presence of a large number of false positives. Herein, we demonstrate the use of a new Genetic Programming (GP) based Symbolic Regression (SR) approach for predicting PPIs related to a disease. In this case study, a dataset consisting of 135 PPI complexes related to cancer was used to construct a generic PPI predicting model with good PPI prediction accuracy and generalization ability. A high correlation coefficient (CC) magnitude of 0.893, and low root mean square error (RMSE), and mean absolute percentage error (MAPE) values of 478.221 and 0.239, respectively, were achieved for both the training and test set outputs. To validate the discriminatory nature of the model, it was applied on a dataset of diabetes complexes where it yielded significantly low CC values. Thus, the GP model developed here serves a dual purpose: (a) a predictor of the binding energy of cancer related PPI complexes, and (b) a classifier for discriminating PPI complexes related to cancer from those of other diseases.</p>10aBinding energy10acancer10aDisease10agenetic programming10amachine learning10aprotein-protein interactions10asymbolic regression1 aVyas, Renu1 aBapat, Sanket1 aGoel, Purva1 aKarthikeyan, Muthukumarasamy1 aTambe, Sanjeev, S.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/application-genetic-programming-gp-formalism-building-disease-predictive-models-protein02353nas a2200229   4500008004100000022001400041245006200055210006200117260000800179300001400187490000700201520163500208653002501843653002501868653000801893653002401901100003101925700002201956700002501978700002602003856009402029       2018                        eng d  a1877-264100aEnvironmental impact study of bagasse valorization routes0 aEnvironmental impact study of bagasse valorization routes  cJAN  a2067-20780 v103 aIndia is the world’s second largest sugarcane producer and a major manufacturer of molasses-derived ethanol. The sugarcane produced is widely used in the production of sugar and 1G ethanol. Though sugar and 1G ethanol are the major concerns, there is still a huge amount of bagasse waste generated in the sugar factories. This bagasse has also some end use value, as it can be utilized for production of methanol, 2G ethanol and electricity. Even though the technology for production of these value added products is well established, it is important to analyze the social, economical and environmental impacts associated with these production processes. This work compares the environmental impacts of various sugarcane conversion processes on life cycle basis. The functional unit used is one tonne of sugarcane cultivated in field. Four routes identified for bagasse conversion- conversion of bagasse to methanol (Route 1), conversion of bagasse to ethanol via 2 stage dilute acid process (Route 2), conversion of bagasse to ethanol via enzymatic process (Route 3) and electricity production from bagasse (Route 4). On comparison of these routes on midpoint indicators such as global warming potential (GWP), acidification potential (AP), eutrophication potential (EP) and ozone depletion potential (ODP) and photochemical ozone creation potential (POCP), it is observed that the methanol production is having the highest environmental indicator values. Even though ethanol production processes and cogeneration process are having nearly similar results, it can be said that cogeneration process is the more eco-friendly one.10aBagasse valorization10aEnvironmental impact10aLCA10aMidpoint indicators1 aMandavgane, Sachin, Arvind1 aJoglekar, Saurabh1 aTandulje, Akshay, P.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/environmental-impact-study-bagasse-valorization-routes02198nas a2200217   4500008004100000022001400041245013700055210006900192260000800261520134700269653002301616653001001639653003601649653002701685653004001712100002601752700001801778700002701796700002601823856013101849       2019                        eng d  a0944-134400aMethodology of evaluating sustainability index of a biomass processing enterprise: a case study of native cow dung-urine biorefinery0 aMethodology of evaluating sustainability index of a biomass proc  cOCT3 a<p>Agriculture and its allied sector contribute significantly to the gross domestic product of every country. Several small-scale enterprises engaged in waste biomass processing have been setup recently. Such industrial setups not only help in solving the waste management issues but also play an important role in offering employment at the grass root level generating a significant social impact along with economic advantage to the local entrepreneur. Hence, assessment of such biomass processing enterprise (BPE) based on economic, environment, and social parameters has become necessary. In this paper, a general framework for sustainability assessment is discussed using a case study of cow dung-urine biorefinery as a representative BPE. Real-time data of BPE has been collected for evaluation and a sustainability index (SI) is evaluated using multicriteria decision method. The SI is calculated as per the weightage assigned and value function of the indicator and criteria. The SI for the BPE was observed to be 0.69 for the chosen set of criteria and indicator and weightages. A sensitivity analysis has been performed to check the dependence of the results on the weightages assigned to various criteria and indicators. It was also observed that the results were more sensitive to the indicators having a low value function.</p>
10aIndicator analysis10aMIVES10aMulticriteria decision analysis10aPerformance evaluation10aSustainability assessment framework1 aJoglekar, Saurabh, N.1 aDarwai, Vivek1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/methodology-evaluating-sustainability-index-biomass-processing-enterprise-case-study-native02377nas a2200229   4500008004100000022001400041245010200055210006900157260000800226300001200234490000700246520158300253653002601836653002601862653001801888653001101906100002601917700002801943700002701971700002601998856012302024       2019                        eng d  a0944-134400aProcess development of silica extraction from RHA: a cradle to gate environmental impact approach0 aProcess development of silica extraction from RHA a cradle to ga  cJAN  a492-5000 v263 a<p>India is one of the major rice-producing countries. Rice husk is a major agricultural by-product from rice production, which is used as a fuel in boilers. Its use as fuel produces huge amounts of silica-rich rice husk ash (RHA). This paper aims at providing an overall assessment of environmental impacts associated with the extraction of silica from RHAa process developed by our study group. The functional unit used in this study is production of 100kg of silica. The analysis included the extraction and transportation of other raw materials; RHA was assumed to be processed at the site. The study was conducted in accordance with the international ISO 14040 procedural framework. LCA is performed using GaBi Education software, and five midpoint indicators are chosen to assess the environmental impacts of silica extraction. The overall climate change (CC) of the extraction process is 7.26kg CO2 equivalent per kg of silica produced. A high contribution of calcination to CC is attributed to the use of electricity. The comprehensive environmental impacts of silica-rich RHA resulting from processing of RHA and improvement options to achieve sustainable production are presented. The negative impacts that can be avoided during silica extraction are also discussed. It is observed that calcination is a major contributor to the overall environmental indicators. The work also stresses on the use of renewable energy for electricity generation, which would help in decreasing the overall greenhouse gas emissions during extraction while ensuring waste utilization.</p>10aEnvironmental impacts10aLife cycle assessment10aRice husk ash10asilica1 aJoglekar, Saurabh, N.1 aKharkar, Rhushikesh, A.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/process-development-silica-extraction-rha-cradle-gate-environmental-impact-approach01543nas a2200229   4500008004100000022001300041245004900054210004800103260000800151300001400159490000700173520088400180653002401064653001601088653001601104653001701120653002501137100002301162700002701185700002601212856007501238       2019                        eng d  a1877264100aWaste to wealth: a Case study of papaya peel0 aWaste to wealth a Case study of papaya peel  cJUN  a1755-17660 v103 a<p>Papaya is a popular fruit consumed worldwide and well-known for its food and nutritional values. It is used in food industries for the production of jams, jellies, etc. As a result, these industries generate huge amounts of papaya peel (PP) and seeds as by-products, which are typically considered a waste, and thus discarded. However, our current investigation indicates that PP is a valuable source of bioactive compounds, which can be converted into many value-added products. In this article, we review the physicochemical composition and valorization of PP. PP can be utilized to obtain many value-added products by fermentation (e.g., biofuels, adsorbents, dietary fibers, biomedicine, biomaterials). The biorefinery approach for PP will definitely increase the value of this waste by producing an array of value-added products and achieving zero waste generation.</p>
10aBioactive compounds10aBiorefinery10aPapaya peel10aValorization10aValue-added products1 aPathak, Pranav, D.1 aMandavgane, Sachin, A.1 aKulkarni, Bhaskar, D.  uhttps://library.ncl.res.in/content/waste-wealth-case-study-papaya-peel01902nas a2200277   4500008004100000022001400041245020300055210006900258260000800327300001200335490000700347520088600354653001901240653002201259653002201281653003201303653002601335653000901361100002301370700002001393700002301413700002201436700002601458700001601484856012401500       2021                        eng d  a1747-027700aOn the use of electronegativity and electron affinity based pseudo-molecular field descriptors in developing correlations for quantitative structure-activity relationship modeling of drug activities0 ause of electronegativity and electron affinity based pseudomolec  cAUG  a258-2690 v983 aFor quantitative structure-activity relationship (QSAR) modeling in ligand-based drug discovery programs, pseudo-molecular field (PMF) descriptors using intrinsic atomic properties, namely, electronegativity and electron affinity are studied. In combination with partial least squares analysis and Procrustes transformation, these PMF descriptors were employed successfully to develop correlations that predict the activities of target protein inhibitors involved in various diseases (cancer, neurodegenerative disorders, HIV, and malaria). The results show that the present QSAR approach is competitive to existing QSAR models. In order to demonstrate the use of this algorithm, we present results of screening naturally occurring molecules with unknown bioactivities. The pIC(50) predictions can screen molecules that have desirable activity before assessment by docking studies.10adrug discovery10aelectron affinity10aElectronegativity10amolecular field descriptors10apartial least squares10aQSAR1 aKunde, Pushkar, D.1 aRamkumar, Sudha1 aKamble, Sanjay, P.1 aRaviKumar, Ameeta1 aKulkarni, Bhaskar, D.1 aKumar, Ravi  uhttps://library.ncl.res.in/content/use-electronegativity-and-electron-affinity-based-pseudo-molecular-field-descriptors