01592nas a2200181   4500008004100000022001400041245009800055210006900153260007100222300001400293490000700307520089800314100001901212700001701231700001901248700001501267856012801282       2005                        eng d  a0743-746300aKeggin ion mediated synthesis of hydrophobized pd nanoparticles for multifunctional catalysis0 aKeggin ion mediated synthesis of hydrophobized pd nanoparticles   a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR  a2408-24130 v213 a<p>Development of simple and reliable protocols for the synthesis of organically soluble catalytically active metal nanoparticles is an important aspect of research in nanomaterials. We demonstrate herein the formation of Pd nanoparticles by reduction of aqueous Pd(NO3)(2) by photoexcited Keggin ions (phosphotungstate anions). This results in the formation of Pd nanoparticles capped with with Keggin ions that render the particles negatively charged. The Keggin ion capped Pd nanoparticles may then be phase transferred into nonpolar organic solvents such as toluene by electrostatic complexation with cationic surfactants such as octadecylamine at the liquid-liquid interface. This results in a new class of catalyst wherein both the Pd core and Keggin ion shell may be used in a range of catalytic reactions leading to a truly multifunctional catalyst dispersible in organic solvents.</p>1 aMandal, Sujata1 aDas, Amitava1 aSrivastava, R.1 aSastry, M.  uhttps://library.ncl.res.in/content/keggin-ion-mediated-synthesis-hydrophobized-pd-nanoparticles-multifunctional-catalysis-001985nas a2200169   4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520128100335100001201616700002701628700002901655856013101684       2005                        eng d  a0888-588500aKinetic modeling of reductive alkylation of aniline with acetone using Pd/Al2O3 catalyst in a batch slurry reactor0 aKinetic modeling of reductive alkylation of aniline with acetone  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL  a5388-53960 v443 a<p>The kinetics of reductive alkylation of aniline with acetone was studied in a slurry reactor under isothermal conditions in a temperature range of 378-408 K using 3% Pd/Al2O3 catalyst. Experimental data on concentration-time as well as hydrogen consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and partial pressure of hydrogen. Separate controlled experiments were performed to understand the nature of the condensation reaction between aniline and acetone, which forms the Shiff's base intermediate. From the concentration-time profiles and the effect of reaction conditions, it was found that the noncatalytic equilibrium formation of the Shiff base intermediate was the slowest step in the multistep reaction sequence. Several rate equations were considered to fit the batch slurry reactor data, and rate models based on competitive dissociative adsorption of hydrogen and the reactive substrates in the rate-limiting catalytic steps were found to represent the experimental data. The kinetic parameters were evaluated by fitting the integral batch reactor data at different temperatures. The activation energies, heat of adsorption, and entropy of adsorption of all the reactant species were also evaluated.</p>1 aRoy, D.1 aJaganathan, Rengaswamy1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetic-modeling-reductive-alkylation-aniline-acetone-using-pdal2o3-catalyst-batch-slurry-001670nas a2200229   4500008004100000022001400041245011000055210006900165260010600234300001400340490000700354520074500361653002401106653003801130653002601168653003501194653002401229653001201253100002601265700002101291856012801312       2005                        eng d  a0009-250900aKinetics of the complete combustion of dilute propane and methyl ethyl ketone over Cr-doped ZrO2 catalyst0 aKinetics of the complete combustion of dilute propane and methyl  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcMAR  a1575-15810 v603 a<p>The kinetics of the complete combustion of propane and methyl ethyl ketone (MEK) at very low concentration in air (0.45 and 0.4 mol% in air, respectively) over Cr-doped ZrO2 (cubic) catalyst (Cr/Zr = 0.25) at different temperatures (485-673 K) in the kinetic control regime have been investigated. The combustion rate data could be fitted well to both the power law and redox (Mars-Van Krevelen) models. From the power law model, the apparent activation energy for the combustion of propane and MEK has been found to be 16.5 and 13.2 kcal mol(-1), respectively. Among the two models, the redox one, however, gave a better fit to the kinetic data for both the combustion of propane and MEK. (C) 2004 Elsevier Ltd. All rights reserved.</p>10acombustion kinetics10acombustion of methyl ethyl ketone10acombustion of propane10aCr-doped ZrO2 (cubic) catalyst10amethyl ethyl ketone10apropane1 aChoudhary, Vasant, R.1 aDeshmukh, G., M.  uhttps://library.ncl.res.in/content/kinetics-complete-combustion-dilute-propane-and-methyl-ethyl-ketone-over-cr-doped-zro2-001646nas a2200169   4500008004100000022001400041245010000055210006900155260007100224300001000295490000700305520097100312100002601283700002101309700001901330856012701349       2005                        eng d  a0887-062400aKinetics of the complete combustion of dilute propane and toluene over iron-doped ZrO2 catalyst0 aKinetics of the complete combustion of dilute propane and toluen  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN  a54-630 v193 a<p>The kinetics of the complete combustion of propane and toluene at very low concentrations in air (0.45 and 0.3 mol % in air, respectively) over iron-doped ZrO2 (cubic) catalyst (Fe/Zr = 0.25) at different temperatures (598-723 K) in kinetic control regime have been investigated. The combustion rate data could be fitted very well to both the power-law and redox (Mars-Van Krevelen) models. However, the redox model provided a better fit to the kinetic data for the propane combustion. It also showed a better fit to the toluene combustion data at the lower temperatures (623 K). The reaction order (with respect to the hydrocarbon), apparent activation energy, and frequency factor (from the power-law model) for the propane combustion were 0.96 (average), 21.16 kcal/mol, and 4.67 x 10(5) Mol g(-1) h(-1) kPa(-n), respectively, and those for the toluene combustion were 0.77 (average), 26.08 kcal/mol, and 1.48 x 10(7) mol g(-1) h(-1) kPa(-n), respectively.</p>1 aChoudhary, Vasant, R.1 aDeshmukh, G., M.1 aMishra, D., P.  uhttps://library.ncl.res.in/content/kinetics-complete-combustion-dilute-propane-and-toluene-over-iron-doped-zro2-catalyst-001511nas a2200217   4500008004100000022001400041245009700055210006900152260010600221300001400327490000700341520066100348653002001009653001401029653002801043653003001071100001701101700002601118700002101144856012801165       2005                        eng d  a0098-135400aKnowledge incorporated support vector machines to detect faults in Tennessee Eastman Process0 aKnowledge incorporated support vector machines to detect faults   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP  a2128-21330 v293 a<p>A support vector machine with knowledge incorporation is applied to detect the faults in Tennessee Eastman Process, a benchmark problem in chemical engineering. The knowledge incorporated algorithm takes advantage of the information on horizontal translation invariance in tangent direction of the instances in dataset. This essentially changes the representation of the input data while training the algorithm. These local translations do not alter the class membership of the instances in the dataset. The results on binary as well as multiple fault detection justify the use of knowledge incorporation. (c) 2005 Elsevier Ltd. All rights reserved.</p>10afault detection10aknowledge10asupport vector machines10aTennessee Eastman Process1 aKulkarni, A.1 aJayaraman, Valadi, K.1 aKulkarni, B., D.  uhttps://library.ncl.res.in/content/knowledge-incorporated-support-vector-machines-detect-faults-tennessee-eastman-process-002786nas a2200265   4500008004100000022001400041245014000055210006900195260007400264300001200338490000700350520181600357653001302173653002002186653001502206653002502221653001102246653002502257100001902282700002002301700002502321700002202346700002102368856013102389       2005                        eng d  a0167-441200aKunitz trypsin inhibitor from chickpea (Cicer arietinum L.) that exerts anti-metabolic effect on podborer (Helicoverpa armigera) larvae0 aKunitz trypsin inhibitor from chickpea Cicer arietinum L that ex  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcFEB  a359-3740 v573 a<p>Chickpea (Cicer arietinum L.) seeds contain Bowman-Birk proteinase inhibitors, which are ineffective against the digestive proteinases of larvae of the insect pest Helicoverpa armigera. We have identified and purified a low expressing proteinase inhibitor (PI), distinct from the Bowman-Birk Inhibitors and active against H. armigera gut proteinases (HGP), from chickpea seeds. N-terminal sequencing of this HGP inhibitor revealed a sequence similar to reported pea (Pisum sativum) and chickpea alpha-L-fucosidases and also homologous to legume Kunitz inhibitors. The identity was confirmed by matrix assisted laser desorption ionization - time of flight analysis of tryptic peptides and isolation of DNA sequence coding for the mature protein. Available sequence data showed that this protein forms a distinct phylogenetic cluster with Kunitz inhibitors from Glycine max, Medicago truncatula, P. sativum and Canavalia lineata. The isolated coding sequence was cloned into a yeast expression vector and produced as a recombinant protein in Pichia pastoris. alpha-L-fucosidase activity was not detectable in purified or recombinant protein, by solution assays. The recombinant protein did not inhibit chymotrypsin or subtilisin activity but did exhibit stoichiometric inhibition of trypsin, comparable to soybean Kunitz trypsin inhibitor. The recombinant protein exhibited higher inhibition of total HGP activity as compared to soybean kunitz inhibitor, even though it preferentially inhibited HGP-trypsins. H. armigera larvae fed on inhibitor-incorporated artificial diet showed significant reduction in average larval weight after 18 days of feeding demonstrating potent antimetabolic activity. The over-expression of this gene in chickpea could act as an endogenous source of resistance to H. armigera.</p>10aChickpea10aCicer arietinum10afucosidase10aHelicoverpa armigera10aKunitz10aProteinase inhibitor1 aSrinivasan, A.1 aGiri, Ashok, P.1 aHarsulkar, Abhay, M.1 aGatehouse, J., A.1 aGupta, Vidya, S.  uhttps://library.ncl.res.in/content/kunitz-trypsin-inhibitor-chickpea-cicer-arietinum-l-exerts-anti-metabolic-effect-podborer-002127nas a2200229   4500008004100000022001400041245016000055210006900215260006800284300001400352490000700366520120600373653002201579653001901601653002901620653001301649653002201662653002701684100002901711700002501740856013201765       2007                        eng d  a0887-624X00aKinetics of hexene-1 polymerization using [(N,N `-diisopropylbenzene)-2,3-(1,8-napthyl)-1,4-diazabutadiene] dibromonickel/methylaluminoxane catalyst system0 aKinetics of hexene1 polymerization using NN diisopropylbenzene23  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcMAR  a1093-11000 v453 a<p>{Kinetics of hexene-1 polymerization was investigated using [(N,N'-diiso-propylbenzene)2,3-(1,8-napthly)-1,4-diazabutadiene]/dibro monickel/methylaluminoxane catalyst. Experiments were performed at varying catalyst and monomer concentrations in the temperature range of -10 to 35 degrees C. First order time-conversion plot shows a downward curvature at temperatures of 20 degrees C and 35 degrees C indicating the presence of finite termination reactions. A nonlinear plot of degree of polymerization (P-n) with respect to conversion indicates occurrence of transfer reactions and slow initiation. The experimental molar masses are higher than predicted, which implies that a fraction of catalyst species could not be activated or is deactivated at the early stages of the reactions. The efficiency of the catalyst (Cat(eff)) varies from 0.77 to 0.89. The observed polydispersity of the poly(hexene-1) s is in the range of 1.18-1.48. The reaction order was found to be 1.11 with respect to catalyst. The Arrhenius plot obtained using the overall propagation rate constant, k(p), at five different temperatures (-10, 0, 10, 20, and 35 degrees C) was found to be linear with an activation energy</p>10aActivation energy10achain transfer10adegree of polymerization10ahexene-110akinetics (polym.)10anickel (alpha-diimine)1 aSubramanyam, Ummadisetty1 aSivaram, Swaminathan  uhttps://library.ncl.res.in/content/kinetics-hexene-1-polymerization-using-nn-diisopropylbenzene-23-18-napthyl-14-diazabutadiene01924nas a2200181   4500008004100000022001400041245013100055210006900186260007100255300001400326490000700340520117800347100002401525700001601549700002401565700002901589856012401618       2007                        eng d  a0888-588500aKinetics of reductive alkylation of p-phenylenediamine with methyl ethyl ketone using 3% Pt/Al2O3 catalyst in a slurry reactor0 aKinetics of reductive alkylation of pphenylenediamine with methy  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a3243-32540 v463 a<p>Intrinsic kinetics of reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) using 3% Pt/Al2O3 catalyst was studied in a slurry reactor. The overall reaction involves a combination of parallel and consecutive reactions involving equilibrium noncatalytic (homogeneous) and catalytic (heterogeneous) steps. For the purpose of kinetic modeling, the effects of PPDA concentration, catalyst loading, agitation speed, and partial pressure of hydrogen were studied in a temperature range of 373-413 K. Quantitative criteria were used to ensure that the reaction occurred in the kinetic regime. Different rate equations have been considered based on the elementary steps involving catalytic and noncatalytic reactions, which lay stress on the different types of interactions occurring between the reactants and the active catalyst sites. The best-fit rate model has been proposed by rigorous optimization and model discrimination procedures, by simulating the experimental concentration-time data. For the best-fit model, the agreement between the predicted and experimental data was found to be very good over a wide range of operating conditions.</p>1 aPatil, Narendra, G.1 aRoy, Debdut1 aChaudhari, Amit, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-reductive-alkylation-p-phenylenediamine-methyl-ethyl-ketone-using-3-ptal2o302041nas a2200205   4500008004100000022001400041245006000055210006000115260006900175300001200244490000800256520132300264653003601587653002101623653002701644653001801671653003001689100002501719856009101744       2008                        eng d  a1385-894700aKinetic modeling of liquid phase autoxidation of cumene0 aKinetic modeling of liquid phase autoxidation of cumene  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAPR  a308-3190 v1373 a<p>A new kinetic model for the liquid phase autoxidation of cumene has been developed utilizing the existing knowledge about the traditional free-radical mechanism involving the initiation of the free-radicals, the chain propagation and transfer and the various modes of radical termination. Unlike previous work, in the re-organized reaction network an important cross-termination step replaces an often used but less likely one and a new derivation of the rate model has been provided. A base set of rate parameters for the elementary steps within this reaction network were chosen, many of them were same or very similar to those published in the literature, with a few critical ones re-estimated for correct match with directly observed kinetic data reported in the literature on cumene oxidation in bench scale reactors. Embedding this kinetic sub-model within a simple reaction engineering model for a single air-sparged continuous cumene oxidator, the liquid oxidate composition at the reactor exit could be predicted that compared closely with some limited published data from an industrial reactor. It is hoped that the kinetic model presented here would be a useful tool in the analysis and design of other autoxidation reactors as well with minor adaptations. (c) 2007 Elsevier B.V. All rights reserved.</p>10aair-sparged continuous oxidator10acumene oxidation10afree-radical mechanism10akinetic model10aliquid phase autoxidation1 aBhattacharya, Arijit  uhttps://library.ncl.res.in/content/kinetic-modeling-liquid-phase-autoxidation-cumene-001730nas a2200193   4500008004100000022001400041245009000055210006900145260007100214300001400285490000800299520099400307100002501301700002601326700002001352700002701372700002501399856011201424       2008                        eng d  a1932-744700aKinetics of PbCrO(4) nanorod growth by oriented attachment at the air-water interface0 aKinetics of PbCrO4 nanorod growth by oriented attachment at the   a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a7557-75610 v1123 a<p>Oriented attachment is a new way of crystal growth to transform preformed nanoparticles into hierarchical assemblies. Here, we demonstrate the use of liquid-liquid interfaces toward the formation of PbCrO(4) nanoparticles and their subsequent time-dependent self-assembly at the air-water interface into nanorods by oriented attachment. EDAX and XPS analysis indicate the formation of stoichiometric PbCrO(4). TEM studies at different stages of aging reveal that the transformation from nanoparticles to nanorods is kinetically governed. HRTEM analysis indicates nanorod growth along the [110] plane. UV-visible spectra reveal the presence of peaks at 425 and 515 nm for nanorods, while for the nanoparticle sample, a single peak at 425 urn is evident. As formation of ultrathin films over a large area (typically equal to or greater than 1 mu m x 1 mu m) concomitantly accompanies this approach, it can be extended to other materials as well for nanostructured device applications.</p>1 aHawaldar, Ranjit, R.1 aSathaye, Shivaram, D.1 aHarle, Arti, S.1 aGholap, Ramkrishna, S.1 aPatil, Kashinath, R.  uhttps://library.ncl.res.in/content/kinetics-pbcro4-nanorod-growth-oriented-attachment-air-water-interface-001619nas a2200229   4500008004100000022001400041245012400055210006900179260007700248300001000325490000600335520074600341653001501087653001301102653001401115653001401129653002101143100003001164700003201194700003201226856013101258       2009                        eng d  a1861-472800aKinetic evidence for the influence of subsurface oxygen on palladium surfaces towards CO oxidation at high temperatures0 aKinetic evidence for the influence of subsurface oxygen on palla  aPO BOX 10 11 61, D-69451 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcOCT  a74-800 v43 a<p>Transient state kinetics of the catalytic oxidation of CO with 0, on Pd-surfaces has been measured under isothermal conditions by using a molecular beam approach. Systematic studies were carried out as a function of reaction temperature and CO+O(2) composition. With sufficient kinetic evidence, we have demonstrated the positive influence of subsurface oxygen towards CO-adsorption and oxidation to CO, at high temperatures (600-900 K) on Pd-surfaces, and the likely electronic nature of the surface changes with oxygen in the subsurface. These studies also provide a direct proof for CO-adsorption with a significantly reactive sticking coefficient at high temperatures on Pd-surfaces exhibiting a significant subsurface O-coverage.</p>10aAdsorption10akinetics10aOxidation10aPalladium10asurface analysis1 aGopinath, Chinnakonda, S.1 aThirunavukkarasu, Kandasamy1 aNagarajan, Sankaranarayanan  uhttps://library.ncl.res.in/content/kinetic-evidence-influence-subsurface-oxygen-palladium-surfaces-towards-co-oxidation-high-001839nas a2200229   4500008004100000022001400041245010200055210006900157260007300226300001200299490000800311520099700319653001401316653001801330653001301348653001701361100002101378700002801399700002501427700002901452856012801481       2009                        eng d  a1381-116900aKinetics of arylation of 3-bromo-benzophenone with n-butylacrylate using NC palladacycle catalyst0 aKinetics of arylation of 3bromobenzophenone with nbutylacrylate   aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG  a111-1160 v3093 a<p>The kinetics of arylation of n-butylacrylate (n-BA) with 3-bromo-benzophenone (BBP) using a monomeric palladacycle complex [Pd(ppy)(PPh(3))(OTs)](ppy=2-phenylpyridine) catalyst has been studied. The effect of concentration of the substrate, base (NaOAc), and catalyst was studied at three different temperatures (413-433 K). The rate was found to be first order with respect to catalyst, first order tending to zero order with respect to n-butylacrylate and NaOAc concentrations. The rate passed through a maximum with variation of BBP concentration. The observed results have been explained on the basis of formation of Pd species (PdX(2), PdX(3)(-), PdX(4)(2-), and Pd(2)X(6)(2-)) which are inactive for the Heck reaction. Various empirical rate equations were considered to fit the rate data and the best fitting model has been selected. The rates predicted by model were found to be in good agreement with the observed experimental data. (C) 2009 Elsevier B.V. All rights reserved.</p>10aArylation10aHeck reaction10akinetics10aPalladacycle1 aAtla, Shashi, B.1 aRajurkar, Kalpendra, B.1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-arylation-3-bromo-benzophenone-n-butylacrylate-using-nc-palladacycle-catalyst-002918nas a2200193   4500008004100000022001400041245006200055210006100117260008100178300000700259490000600266520225400272100002502526700001802551700001802569700001802587700002302605856009602628       2010                        eng d  a1745-615000aKinetic model of TBP auto-regulation exhibits bistability0 aKinetic model of TBP autoregulation exhibits bistability  a236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLANDbBIOMED CENTRAL LTDcAUG  a500 v53 a<p>Background: TATA Binding Protein (TBP) is required for transcription initiation by all three eukaryotic RNA polymerases. It participates in transcriptional initiation at the majority of eukaryotic gene promoters, either by direct association to the TATA box upstream of the transcription start site or by indirectly localizing to the promoter through other proteins. TBP exists in solution in a dimeric form but binds to DNA as a monomer. Here, we present the first mathematical model for auto-catalytic TBP expression and use it to study the role of dimerization in maintaining the steady state TBP level. Results: We show that the autogenous regulation of TBP results in a system that is capable of exhibiting three steady states: an unstable low TBP state, one stable state corresponding to a physiological TBP concentration, and another stable steady state corresponding to unviable cells where no TBP is expressed. Our model predicts that a basal level of TBP is required to establish the transcription of the TBP gene, and hence for cell viability. It also predicts that, for the condition corresponding to a typical mammalian cell, the high-TBP state and cell viability is sensitive to variation in DNA binding strength. We use the model to explore the effect of the dimer in buffering the response to changes in TBP levels, and show that for some physiological conditions the dimer is not important in buffering against perturbations. Conclusions: Results on the necessity of a minimum basal TBP level support the in vivo observations that TBP is maternally inherited, providing the small amount of TBP required to establish its ubiquitous expression. The model shows that the system is sensitive to variations in parameters indicating that it is vulnerable to mutations in TBP. A reduction in TBP-DNA binding constant can lead the system to a regime where the unviable state is the only steady state. Contrary to the current hypotheses, we show that under some physiological conditions the dimer is not very important in restoring the system to steady state. This model demonstrates the use of mathematical modelling to investigate system behaviour and generate hypotheses governing the dynamics of such nonlinear biological systems.</p>1 aGokhale, Sucheta, A.1 aRoshan, Reema1 aKhetan, Vivek1 aPillai, Beena1 aGadgil, Chetan, J.  uhttps://library.ncl.res.in/content/kinetic-model-tbp-auto-regulation-exhibits-bistability-002098nas a2200253   4500008004100000022001400041245010300055210006900158260010600227300001200333490000700345520115900352653001001511653001401521653001301535653002501548653002201573653002501595653002501620100001601645700002401661700002901685856013001714       2010                        eng d  a0009-250900aKinetics of reductive alkylations of phenylenediamines: influence of substrates isomeric structure0 aKinetics of reductive alkylations of phenylenediamines influence  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN  a232-2390 v653 a<p>Reductive alkylation of ortho-, meta- and para-phenylenediamines (PDAs) with methyl ethyl ketone (MEK) has been studied in a semi-batch slurry reactor in the presence of a commercial 3% Pt/Al(2)O(3) catalyst. It was observed that the PDA isomers differ remarkably from each other in their activity in reductive alkylation and product distribution. The activity was found to decrease in the following order: PPDA &gt; OPDA &gt; MPDA. To understand the substrate structure-activity correlation, the homogeneous equilibrium reactions involved in the alkylation step and the overall catalytic reactions were studied separately. Kinetics of reductive alkylation of PDAs with MEK as a solvent and alkylating agent with 3% Pt/Al(2)O(3) catalyst was studied in a semi-batch slurry reactor over a temperature range of 373-453K and pressure range of 2.07-6.21 MPa. Semi-batch slurry reactor models were developed and kinetic parameters were estimated by fitting the integral batch reactor data at different temperatures to understand the influence of different reaction steps on the activity and selectivity of different products. Published by Elsevier Ltd.</p>10aBatch10acatalysis10akinetics10aMultiphase reactions10aPhenylenediamines10aReaction engineering10aReductive alkylation1 aRoy, Debdut1 aChaudhari, Amit, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-reductive-alkylations-phenylenediamines-influence-substrates-isomeric-structure-001350nas a2200253   4500008004100000022001400041245010500055210006900160260005600229300001000285490000700295520048400302653001200786653001600798653001300814653001200827653001800839100002000857700001900877700002200896700002500918700002100943856013200964       2010                        eng d  a1509-811700aKinetics studies and mechanism evolution of the epoxidation of styrene over nanoporous Au doped TS-10 aKinetics studies and mechanism evolution of the epoxidation of s  aSOLIPSKA 14A-1, 02-482 WARSAW, POLANDbVERSITAcJAN  a72-780 v123 a<p>{A kinetic investigation of the slurry phase epoxidation of styrene with hydrogen peroxide has been carried out, for the first time, over nanoporous Au doped TS-1 catalyst, in a batch reactor, in the temperature range of 313-333 K. It was found that product selectivity and the rate of reaction are greatly influenced by concentrations of styrene and hydrogen peroxide. Kinetics studies reveal that the mechanism of the reaction is of the ``Redox'' type. The rate equation</p>10aAu/TS-110aepoxidation10akinetics10astyrene10aStyrene oxide1 aSaxena, Samidha1 aDwivedi, Reena1 aBhadauria, Sheenu1 aChumbhale, Vilas, R.1 aPrasad, Rajendra  uhttps://library.ncl.res.in/content/kinetics-studies-and-mechanism-evolution-epoxidation-styrene-over-nanoporous-au-doped-ts-1-002138nas a2200265   4500008004100000022001400041245012100055210006900176260010600245300001400351490000700365520112700372653002301499653003801522653001301560653002901573653002501602653001501627100002201642700002501664700001501689700002401704700001801728856012601746       2011                        eng d  a0009-250900aKinetics of hydroformylation of 1-octene in ionic liquid-organic biphasic media using rhodium sulfoxantphos catalyst0 aKinetics of hydroformylation of 1octene in ionic liquidorganic b  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR  a1631-16390 v663 a<p>Biphasic hydroformylation of 1-octene was performed using rhodium sulfoxantphos catalyst dissolved in [BuPy][BF(4)] ionic liquid. Preliminary experiments proved this system to retain the catalytic complex within the ionic liquid phase and to maintain a high selectivity towards the linear aldehyde (n:iso ratio of 30) over several cycles. Process parameter investigation showed a first order dependence of the initial rate with respect to the catalyst and 1-octene concentrations, but a more complex behavior with respect to hydrogen (fractional order) and carbon monoxide partial pressures (inhibition at high pressures). Different mathematical models were selected based on the trends observed and evaluated for data fitting. Also, rate models were derived from a proposed mechanism, using Christiansen matrix approach. To calculate concentrations of substrates in the catalytic phase as required by this kinetic modeling, solubility measurements were preformed for the gases (pressure drop technique), as well as for 1-octene and n-nonanal (thermogravimetry analysis). (C) 2011 Elsevier Ltd. All rights reserved.</p>10aBiphasic catalysis10aButylpyridinium tetrafluoroborate10akinetics10aParameter identification10aReaction engineering10asolubility1 aDeshpande, R., M.1 aKelkar, Ashutosh, A.1 aSharma, A.1 aJulcour-Lebigue, C.1 aDelmas, Henri  uhttps://library.ncl.res.in/content/kinetics-hydroformylation-1-octene-ionic-liquid-organic-biphasic-media-using-rhodium-001755nas a2200181   4500008004100000022001400041245011700055210006900172260007100241300001600312490000800328520099400336100003201330700003201362700003001394700002501424856012401449       2011                        eng d  a1932-744700aKinetics of nitric oxide adsorption on Pd(111) surfaces through molecular beam experiments: a quantitative study0 aKinetics of nitric oxide adsorption on Pd111 surfaces through mo  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a15487-154950 v1153 a<p>A detailed kinetic picture derived by molecular beam studies of the adsorption-desorption of the NO/Pd(111) system is presented. Numerical simulations and detailed kinetic analysis show that the precursor state model of adsorption provides a valid picture of the sticking coefficient variation with surface coverage, especially at low temperatures. At higher temperatures, the precursor model gives way to the Langmuir molecular model of adsorption. All the parameters of the precursor state model have been quantified. Temperature programmed desorption (TPD) studies further show that there is a slight repulsive interaction between adsorbed NO molecules and there is only a negligible fraction of dissociated molecules on the surface for temperatures less than 500 K, as the Pd(111) surface is defect free. A Bragg-Williams (BW) lattice gas model with repulsive interactions, within the framework of mean field approach (MFA), is shown to describe the TPD spectra reasonably well.</p>1 aNagarajan, Sankaranarayanan1 aThirunavukkarasu, Kandasamy1 aGopinath, Chinnakonda, S.1 aPrasad, Sudarsan, D.  uhttps://library.ncl.res.in/content/kinetics-nitric-oxide-adsorption-pd111-surfaces-through-molecular-beam-experiments-002450nas a2200265   4500008004100000022001400041245015000055210006900205260009000274300001200364490000700376520141200383653001901795653004001814653002601854653001601880100002001896700002401916700002301940700001901963700003101982700002202013700001702035856013202052       2012                        eng d  a0733-521000aKernel morphometric traits in hexaploid wheat (Triticum aestivum L.) are modulated by intricate QTL x QTL and genotype x environment interactions0 aKernel morphometric traits in hexaploid wheat Triticum aestivum   a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD- ELSEVIER SCIENCE LTDcSEP  a432-4390 v563 a<p>Wheat kernel size and shape influence its flour yield and market price. A hexaploid wheat population of 185 recombinant inbred lines was evaluated for five kernel morphometric traits namely, 1000-kernel weight, kernel length, width, length width ratio and factor form density in two diverse agro-climatic regions in India in five to eight year location combinations. Additive main effects and multiplicative interaction analysis revealed significant contributions from genotype (G) and genotype x environment (G x E) effects for these traits. Quantitative trait locus (QTL) analysis by composite interval mapping (CIM) was performed using a linkage map of 251 SSR markers and 59 QTLs distributed on 16 chromosomes were identified. The majority of the QTLs were located on the D genome (44.07%) and the homeologous chromosomes of Group 2 (38.98%). Stable QTLs detected in three or more year location combinations were identified for four traits. Multi-trait CIM showed 10 chromosomal regions harboring putative pleiotropic loci. Complexity in the genetic effects was further revealed by QTL analysis based on mixed-linear model that indicated 19 QTLs with significant individual effects (main-effect QTLs) and 14 QTL x QTL interactions. Five of these - nineteen main-effect QTLs and one of the fourteen QTL x QTL interactions showed environmental influence. (c) 2012 Elsevier Ltd. All rights reserved.</p>10aEpistatic QTLs10aGenotype x environment interactions10aKernel size and shape10aStable QTLs1 aPrashant, Ramya1 aKadoo, Narendra, Y.1 aDesale, Charushila1 aKore, Prajakta1 aDhaliwal, Harcharan, Singh1 aChhuneja, Parveen1 aGupta, Vidya  uhttps://library.ncl.res.in/content/kernel-morphometric-traits-hexaploid-wheat-triticum-aestivum-l-are-modulated-intricate-qtl-001989nas a2200193   4500008004100000022001400041245014600055210006900201260011000270300001200380490000700392520115500399100002201554700001601576700002301592700002901615700002101644856013001665       2012                        eng d  a1463-926200aKinetic analysis of 4-isopropylphenol hydrogenation over activated carbon-supported rhodium catalysts in supercritical carbon dioxide solvent0 aKinetic analysis of 4isopropylphenol hydrogenation over activate  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJan  a633-6380 v143 a<p>Hydrogenation behavior of 4-isopropylphenol to 4-isopropylcyclohexanol over activated carbon-supported rhodium catalysts in supercritical carbon dioxide (scCO(2)) at 313 K was studied in a batch reactor and the results were compared with those in 2-propanol. Higher yields of cis-4-isopropylcyclohexanol were obtained in scCO(2) than in 2-propanol, and the formation of a byproduct, isopropylcyclohexane, was suppressed in scCO(2). The catalyst modification with hydrochloric or phosphoric acid enhanced the yield of cis-4-isopropylcyclohexanol in both scCO(2) and 2-propanol solvents. Kinetic analyses of the reaction profiles revealed higher reaction rates in scCO(2) than those in 2-propanol for the 4-isopropylcyclohexanol formation both by the direct hydrogenation of 4-isopropylphenol and by the consecutive hydrogenation of 4-isopropylcyclohexanone, and also revealed that the addition of hydrochloric acid increased the consecutive hydrogenation rate of 4-isopropylcyclohexanone to cis-4-isopropylcyclohexanol, which reduced the total reaction time needed for the complete hydrogenation of 4-isopropylphenol to 4-isopropylcyclohexanol.</p>1 aHiyoshi, Norihito1 aSato, Osamu1 aYamaguchi, Aritomo1 aRode, Chandrashekhar, V.1 aShirai, Masayuki  uhttps://library.ncl.res.in/content/kinetic-analysis-4-isopropylphenol-hydrogenation-over-activated-carbon-supported-rhodium-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-acid01970nas a2200217   4500008004100000022001400041245006600055210006500121260007100186300001400257490000800271520123400279100002101513700001901534700001801553700002501571700002201596700001901618700001801637856009701655       2012                        eng d  a1520-610600aKinetic studies of amino acid-based surfactant binding to DNA0 aKinetic studies of amino acidbased surfactant binding to DNA  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a5831-58370 v1163 a<p>In this work, the binding kinetics of amino acid-based surfactants, presenting different linkers and head groups, with calf thymus (CT)-DNA was studied using stopped-flow fluorescence spectroscopy. The kinetic studies were carried out as a function of Na+ concentration and surfactant-to-DNA charge ratio. The surfactant binding on DNA took place in two consecutive steps, for which the corresponding first and second relative rate constants (k(1) and k(2)) were determined. The fast step was attributed to the surfactant binding to DNA and micelle formation in its vicinity, the slower step to DNA condensation and possible rearrangement of the surfactant aggregates. In general, both relative rate constants increase with surfactant concentration and decrease with the ionic strength of the medium. The architecture of the surfactant was found to have a significant impact on the kinetics of the DNA surfactant complexation. Surfactants with amide linkers showed larger relative rate constants than those with ester linkers. The variation of the relative rate constants with the head groups of the surfactants, alanine and proline, was found to be less obvious, being partially dependent on the surfactant concentration.</p>1 aSanthiya, Deenan1 aDias, Rita, S.1 aDutta, Sounak1 aDas, Prasanta, Kumar1 aMiguel, Maria, G.1 aLindman, Bjorn1 aMaiti, Souvik  uhttps://library.ncl.res.in/content/kinetic-studies-amino-acid-based-surfactant-binding-dna-001506nas a2200205   4500008004100000022001400041245009700055210006900152260010700221300001400328490000700342520070200349653001801051653001301069653003101082653002401113100001901137700002201156856012201178       2012                        eng d  a0970-707700aKinetics of hydrogenation of lauric acid in a batch slurry reactor using Ru-Sn/TiO2 catalyst0 aKinetics of hydrogenation of lauric acid in a batch slurry react  a11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIAbASIAN JOURNAL OF CHEMISTRYcJUN  a2767-27710 v243 a<p>Ru-Sn catalyst was prepared in-house by impregnation method. This catalyst was found to be stable for four recycles. The rate of hydrogenation of lauric acid (LAC) using Ru-Sn/TiO2 catalyst was found to be linearly dependent on catalyst loading, lauric acid concentration old hydrogen partial pressure. The rate data obtained from kinetic study were fitted to simple rate equation based on Langmuir-Hinshelwood (L-H) type model. Based on kinetic data the hydrogenation of lauric acid over Ru-Sn/TiO2 catalyst is proposed to occur by I dual site mechanism the activation energy for hydrogenation of lauric acid to lauryl alcohol (LAOH) using Rii-Sn/TiO2 catalyst was found to be 77.2 kJ/mol.</p>10aHydrogenation10akinetics10aLangmuir-Hinshelwood model10aRu-Sn/TiO2 catalyst1 aShinde, S., B.1 aDeshpande, R., M.  uhttps://library.ncl.res.in/content/kinetics-hydrogenation-lauric-acid-batch-slurry-reactor-using-ru-sntio2-catalyst-001806nas a2200205   4500008004100000022001400041245007700055210006900132260007400201300001200275490000800287520106600295653002301361653001801384653001301402653002401415100002801439700002901467856010401496       2012                        eng d  a1878-519000aKinetics of the Heck reaction in biphasic organic-ethylene glycol medium0 aKinetics of the Heck reaction in biphasic organicethylene glycol  aVAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDSbSPRINGERcAUG  a457-4730 v1063 a<p>PdCl2(bipy) was found to be an efficient and stable catalyst in biphasic medium (organic-glycol) for the Heck reaction. The kinetics of the Heck coupling of styrene with iodobenzene using the same catalyst was studied in a biphasic medium in a temperature range of 393-413 K. The rate was found to have a first order dependence tending to a fractional order, on the iodobenzene as well as catalyst concentration. The rate was found to have a complex dependence on the styrene concentration and passes through a maximum, showing typical substrate inhibition kinetics. The rate had a first order dependence on the base (morpholine) concentration. The trends observed for the influence of the different parameters on the activity of the catalyst are in agreement with the established mechanism for Heck reaction. An empirical rate model has been proposed to fit the observed rate data. The activation energy was found to be 72.91 kJ/mol. This is the first time that kinetic modeling of Heck reaction in a biphasic medium (organic-glycol) has been attempted.</p>10aBiphasic catalysis10aHeck reaction10akinetics10aPdCl2(bipy) complex1 aJagtap, Sangeeta, Vijay1 aDeshpande, Raj, Madhukar  uhttps://library.ncl.res.in/content/kinetics-heck-reaction-biphasic-organic-ethylene-glycol-medium-002404nas a2200229   4500008004100000022001400041245016300055210006900218260007500287300001400362490000700376520146300383653002201846653002101868653001101889653004301900653002901943100002301972700002501995700002602020856012802046       2013                        eng d  a1053-050900aKinetics and thermodynamics of glycans and glycoproteins binding to holothuria scabra lectin: a fluorescence and surface plasmon resonance spectroscopic study0 aKinetics and thermodynamics of glycans and glycoproteins binding  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScNOV  a1147-11550 v233 a<p>Holothuria scabra produces a monomeric lectin (HSL) of 182 kDa. HSL showed strong antibacterial activity and induced bacterial agglutination under in vitro conditions, indicating its role in animals' innate immune responses. Very few lectins have been reported from echinoderms and none of these lectins have been explored in detail for their sugar-binding kinetics. Affinity, kinetics and thermodynamic analysis of glycans and glycoproteins binding to HSL were studied by fluorescence and surface plasmon resonance spectroscopy. Lectin binds with higher affinity to O-linked than N-linked asialo glycans, and the affinities were relatively higher than that for sialated glycans and glycoproteins. T-antigen alpha-methyl glycoside was the most potent ligand having the highest affinity (Ka 8.32 x10(7) M-1). Thermodynamic and kinetic analysis indicated that the binding of galactosyl Tn-antigen and asialo glycans is accompanied by an enthalpic contribution in addition to higher association rate coupled by low activation energy for the association process. Presence of sialic acid or protein matrix inhibits binding. Higher affinity of HSL for O-glycans than N-glycans had biological implications; since HSL specifically recognizes bacteria, which have mucin or O-glycan cognate on their cell surfaces and play a major role in animal innate immunity. Since, HSL had higher affinity to T-antigen, makes it a useful tool for cancer diagnostic purpose.</p>10aHolothuria scabra10aKinetic analysis10aLectin10aSurface plasmon resonance spectroscopy10aThermodynamic properties1 aGowda, Nagaraj, M.1 aGaikwad, Sushama, M.1 aKhan, Mohammad, Islam  uhttps://library.ncl.res.in/content/kinetics-and-thermodynamics-glycans-and-glycoproteins-binding-holothuria-scabra-lectin-001889nas a2200193   4500008004100000022001400041245011700055210006900172260008800241300001200329490000700341520109100348653003201439653003301471653001901504653001401523100002901537856012901566       2014                        eng d  a1060-132500aKinetics of photocationically curable formulations involving glycerol diglycidyl ether and phenyl glycidyl ether0 aKinetics of photocationically curable formulations involving gly  a530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcOCT  a788-7950 v513 a<p>Kinetic analysis of formulations based on glycerol diglycidyl ether and phenyl glycidyl ether were carried out in the presence of sulfonium salt as initiator at 35 mW cm(-2) using photo differential scanning calorimeter and the final conversion was found to increase with an increase in phenyl glycidyl ether content. The effects of formulation monomer ratios at three different temperatures were studied. The variations in the observed kinetic parameters can be related to increase in mobility of reactive species with temperature, distance of counter ion from the propagating cationic center, as well as extent of crosslinking reaction which controlled the course and duration of the reaction. The applicability of autocatalytic kinetic model was also evaluated and the system underwent early gelation and the activation energy decreased with an increase in phenyl glycidyl ether content. Analysis of stable photocured films containing glycerol diglycidyl ether and phenyl glycidyl ether showed better thermal stability than rigid films obtained with glycerol diglycidyl ether.</p>10aautocatalytic kinetic model10aCationic photopolymerization10aGlycidyl ether10aPhoto DSC1 aHarikrishna, Reghunathan  uhttps://library.ncl.res.in/content/kinetics-photocationically-curable-formulations-involving-glycerol-diglycidyl-ether-and-002325nas a2200193   4500008004100000022001400041245006000055210005800115260011800173300001200291490000700303520162400310100002601934700001901960700003001979700001802009700001602027856008802043       2014                        eng d  a1466-502600aKocuria indica sp nov., isolated from a sediment sample0 aKocuria indica sp nov isolated from a sediment sample  aMARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLANDbSOC GENERAL MICROBIOLOGYcMAR  a869-8740 v643 a<p>An actinobacterial strain was isolated from a sediment sample from Chorao Island, in Goa province, India, and subjected to a taxonomic investigation. The isolate, designated NIO-1021(T), was a Gram-stain positive, aerobic, non-motile and coccoid. Strain NIO-1021(T) was identified as a member of the genus Kocuria by a polyphasic approach. Strain NIO-1021(T) could be differentiated from other members of the genus Kocuria on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain NIO-1021(T) to the most closely related species, Kocuria marina KCTC 9943(T), was 98.6% with 19 nt differences). Furthermore, DNA-DNA hybridization analysis revealed that the novel strain had lower relatedness with the type strains of other members of the genus Kocuria. The strain formed a monophyletic clade with K. marina with 100% bootstrap values. The major phospholipids were phosphatidylglycerol, diphosphatidylglycerol and two unidentified lipids. The predominant menaquinone was MK-7(H-2). The major fatty acids were anteiso-C-15:0, iso-C-(16:0) and anteiso-C-17:0. The DNA G+C content of strain NIO-1021(T) was 60.5 mol%. Chemotaxonomic and phylogenetic properties of the strain were consistent with its classification as representing a member of the genus Kocuria. On the basis of phenotypic, chemotypic and molecular characteristics, strain NIO-1021(T) is considered to represent a novel species of the genus Kocuria, for which the name Kocuria indica sp. nov. is proposed, with strain NIO-1021(T) (=NCIM 5455(T)=DSM 25126(T)=CCTCC AA 209050(T)) as the type strain.</p>1 aDastager, Syed, Gulam1 aTang, Shan-Kun1 aSrinivasan, Krishnamurthi1 aLee, Jae-Chan1 aLi, Wen-Jun  uhttps://library.ncl.res.in/content/kocuria-indica-sp-nov-isolated-sediment-sample-001747nas a2200157   4500008004100000022001400041245009100055210006900146260011000215300001400325490000600339520109300345100001701438700001601455856011801471       2015                        eng d  a2046-206900aKinetic and mechanistic investigations of the Baylis-Hillman reaction in ionic liquids0 aKinetic and mechanistic investigations of the BaylisHillman reac  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcNOV  a2994-30040 v53 a<p>We report here a quantitative study of the kinetics and mechanism of the Baylis-Hillman reaction in the presence of ionic liquids as solvent media. Apparently, a simple Baylis-Hillman reaction can occur by two different exclusive mechanisms in ionic liquids. The delicate balance of these mechanisms is maintained by the ionic environment employed. The main features of the possible mechanism have been described here along with interesting kinetic consequences. The measurement of rate constants and activation energy parameters demonstrate that as the medium becomes basic, the order of the reaction changes from 1 to 2. An unexpected change in the mechanism of the reaction is observed with a change in the nature of the ionic liquid. The Linear Solvation Energy Relationship has also been used as an investigating tool to delineate the respective contributions of the cation and anion of the ionic liquid. The observation strongly dictates the dependency of the mechanism of the Baylis-Hillman reaction on the nature of the anion of the ionic liquids undertaken for this study.</p>1 aSingh, Anshu1 aKumar, Anil  uhttps://library.ncl.res.in/content/kinetic-and-mechanistic-investigations-baylis-hillman-reaction-ionic-liquids-001574nas 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-002038nas a2200145   4500008004100000245011000041210006900151260002500220300001200245520145200257100001901709700002001728700001901748856012501767       2017                        eng d00aKinetic model for extraction of betulinic acid by batch extraction from leaves of syzygium cumini (Jamun)0 aKinetic model for extraction of betulinic acid by batch extracti  bApple Academic Press  a179-1903 a<p>Plants are one of the most important sources of medicines. Syzygium cumini known as “jamun” in Hindi which is found in throughout India. The leaves are having promising therapeutic value with its various phyto constituents such as tannin, alkaloids, flavonoids, terpenoids, fatty acid, phenol, minerals, carbohydrates, and vitamins. All these phyto constituents are analyzed by qualitative analysis method. Betulinic acid is a naturally occurring pentacyclic triterpenoid compound. The medicinal application of betulinic acid is available for diabetes, cancer cell, and HIV. Betulinic acid shows more solubility for methanol. For extraction of betulinic acid, different extraction techniques like batch extraction and Soxhlet extraction techniques are used. The effect of various parameters like particle size, agitations speed, temperature, and solid loading is studied. To explain the extraction of biological material from plant sources different model equations are used which describes sorption isotherms of material. The experimental data of solid loading and temperature are best fitted by using second order Peleg’s model. From this model the linearized Arrhenius equation was obtained and temperature dependency was 0.567 kJ/mol. The aim of this study is to find out the best kinetic model for extraction and experimental data shows the good agreement of betulinic acid with methanol which justifies batch extraction process.</p>1 aAdmane, S., V.1 aGaikwad, S., G.1 aChavan, S., M.  uhttps://library.ncl.res.in/content/kinetic-model-extraction-betulinic-acid-batch-extraction-leaves-syzygium-cumini-jamun01863nas a2200157   4500008004100000245015100041210006900192260000800261300001400269490000600283520122300289100002601512700002601538700001601564856012501580       2017                        eng d00aKinetic profile and catalytic activity of transition metal-based ionic liquids for reduction of nitroarenes via in situ formation of nanoparticles0 aKinetic profile and catalytic activity of transition metalbased   cAUG  a6833-68430 v23 a<p>The experimentally determined apparent rate constant (k(app)) shows that the [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] act as effective catalysts for the reduction of nitroarenes to aminoarenes in the presence of NaBH4. The TEM, XPS, XRD and dynamic light scattering studies show that there is in situ formation of Pd and Ni metal Nanoparticles (NPs) from the reduction of [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4], respectively which are responsible for the enhancement in the catalytic activity. Thus, in the presence of the ionic liquid stabilized metal NPs show higher catalytic activity in comparison to the NPs stabilized with other capping agents as reported. The order of k(app) as 1) PNP &gt; 2-BrPNP &gt; 2-APNP and 2) PNP &gt; ONP &gt; 2-NR for reduction of nitroarenes using [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] and its correlation explained on the basis of electronic structure and hydrogen bonding ability of nitroarenes. The thermodynamic parameters such as E-a, Delta H-#, Delta S-# and Delta G(#) are in agreement with the surface catalyzed reduction reaction of PNP in the presence of NPs as catalyst. The kapp values illustrated the reduction reaction follow the LangmuirHinshelwood (L-H) mechanism.</p>1 aThawarkar, Sachin, R.1 aKhupse, Nageshwar, D.1 aKumar, Anil  uhttps://library.ncl.res.in/content/kinetic-profile-and-catalytic-activity-transition-metal-based-ionic-liquids-reduction01869nas a2200145   4500008004100000245011000041210006900151260000800220300001200228490000800240520129800248100002501546700002501571856012701596       2017                        eng d00aKinetics and thermodynamics of transpeptidation catalysed by Bacillus subtilis gamma glutamyl transferase0 aKinetics and thermodynamics of transpeptidation catalysed by Bac  cJUN  a109-1130 v54 3 aGamma glutamyl transferases (GGT) catalyse the removal (deglutamylation) of the terminal gamma-glutamate residue from compounds such as glutathione and poly-gamma-glutamic acid and its transfer either to a water molecule (hydrolysis) or to a peptide/amino acid (transpeptidation). We analysed the kinetics of Bacillus subtilis GGT (BsGGT) catalysed transpeptidation using gamma-glutamyl-(3-carboxyl)-4-nitroaniline as the gamma-glutamate-donor and glycylglycine (Gly-Gly) as the gamma-glutamate acceptor. Addition of Gly-Gly improved the affinity (Km) of the enzyme for gamma-glutamyl-(3-carboxyl)-4-nitroaniline by nearly 25 times with negligible impact on the rate of deglutamylation (V-max). The asymmetric changes in the kinetic parameters improved the specificity constant (K-cat/K-m.) by about 43 times. BsGGT catalysed transpeptidation was pronounced in conditions that are unfavorable for hydrolysis. Maximum transpeptidation occurred near neutral pH and when the concentration of the gamma-glutamate-donor substrate is lower. The effect of Gly-Gly on the kinetics of BsGGT is contrastingly different from that observed for eukaryotic GGTs. In the case of mammalian GGTs, the addition of Gly-Gly increases both Km and k(cat); and, the specificity constant (K-cat/K-m) remains unaltered1 aBalakrishna, Sharath1 aPrabhune, Asmita, A.  uhttps://library.ncl.res.in/content/kinetics-and-thermodynamics-transpeptidation-catalysed-bacillus-subtilis-gamma-glutamyl00625nas a2200181   4500008004100000022001400041245008400055210006900139260000800208300000900216490000700225100002300232700001900255700003000274700001800304700001600322856010500338       2017                        eng d  a1466-502600aKocuria indica sp. nov., isolated from a sediment sample (vol 64, pg 869, 2014)0 aKocuria indica sp nov isolated from a sediment sample vol 64 pg   cMAY  a16200 v671 aDastager, Syed, G.1 aTang, Shan-Kun1 aSrinivasan, Krishnamurthi1 aLee, Jae-Chan1 aLi, Wen-Jun  uhttps://library.ncl.res.in/content/kocuria-indica-sp-nov-isolated-sediment-sample-vol-64-pg-869-201402048nas a2200169   4500008004100000245011800041210006900159260000800228300001600236490000600252520142200258100002001680700001701700700001601717700001701733856012801750       2018                        eng d00aKinetic investigation for the catalytic reduction of nitrophenol using ionic liquid stabilized gold nanoparticles0 aKinetic investigation for the catalytic reduction of nitrophenol  cNOV  a38384-383900 v83 aWe demonstrate the synthesis of gold nanoparticles (AuNP) stabilized by 1-butyl-3-hexadecyl imidazolium bromide (Au@[C4C16Im]Br) and their use as a catalyst for the reduction of nitrophenol. The AuNPs show excellent stability in presence of [C4C16Im]Br ionic liquids for the reduction of 4-nitrophenol and 2-nitrophenol using NaBH4 as a reducing agent. The detailed kinetics for the reduction of 4-nitrophenol and 2-nitrophenol were investigated and the catalytic activity of Au@[C4C16Im]Br was evaluated. The pseudo first-order rate constant (kapp) values for 4-nitrophenol was observed to be greater than that of 2-nitrophenol and explained on the basis of hydrogen bonding present in 2-nitrophenol. Au@[C4C16Im]Br showed good separability and reusability and hence, it can be used for the complete reduction of nitrophenols in multiple cycles. The Langmuir–Hinshelwood reaction mechanism is elucidated for reduction of 4-nitrophenol by Au@[C4C16Im]Br nanocatalyst on the basis of the kapp values. The thermodynamic activation parameters such as activation energy, enthalpy of activation and entropy of activation were determined and explained using the temperature dependent kinetics for the reduction of nitrophenol using Au@[C4C16Im]Br. The above results reveal that the Au@[C4C16Im]Br nanocatalyst demonstrates excellent catalytic performance for the reduction of nitrophenol by NaBH4 at room temperature.

1 aThawarkar, S.R.1 aThombare, B.1 aMunde, B.S.1 aKhupse, N.D.  uhttps://library.ncl.res.in/content/kinetic-investigation-catalytic-reduction-nitrophenol-using-ionic-liquid-stabilized-gold02056nas a2200253   4500008004100000022001400041245017300055210006900228260000800297300001200305490000800317520116300325653001301488653001601501653001301517653002001530653001301550653002401563100002601587700002001613700002401633700001901657856012601676       2018                        eng d  a0021-961400aKinetic promotion of methane hydrate formation by combining anionic and silicone surfactants: scalability promise of methane storage due to prevention of foam formation0 aKinetic promotion of methane hydrate formation by combining anio  cFEB  a248-2550 v1173 a<p>Methane storage in its solid hydrate form has recently come up as a rather attractive and low risk option for large scale storage of the gas owing to its mild storage conditions, high gas retention capacity and benign (non-explosive) character. However, it has its fair share of limitations with the slow rate of hydrate formation being one of the most prominent. The addition of surfactants like Sodium dodecyl sulfate (SDS) to the hydrate forming system significantly speeds up the process of methane hydrate formation but the large amount of foam generated by these surfactants during the process of hydrate formation and dissociation stands as a major roadblock towards the scaling up of the technology. In the current work, a small amount of a silicon based surfactant has been proposed to be used as antifoam in conjunction with an anionic surfactant SDS to eliminate the foam generation while at the same time promote the kinetics of methane hydrate formation. The idea is simple, cost effective and can be a potential game-changer in the quest to develop a commercially scalable hydrate based methane storage technology. (C) 2017 Elsevier Ltd.</p>10aAntifoam10aGas hydrate10akinetics10aMethane storage10ascale-up10aSilicone surfactant1 aBhattacharjee, Gaurav1 aBarmecha, Vivek1 aKushwaha, Omkar, S.1 aKumar, Rajnish  uhttps://library.ncl.res.in/content/kinetic-promotion-methane-hydrate-formation-combining-anionic-and-silicone-surfactants01286nas a2200169   4500008004100000245011200041210006900153260000800222300001400230490000700244520066000251100002100911700002100932700002300953700001800976856012200994       2018                        eng d00aKitchen grinder: a tool for the synthesis of metal-organic frameworks towards size selective dye adsorption0 aKitchen grinder a tool for the synthesis of metalorganic framewo  cMAY  a2486-24900 v203 aIn this report, we present a simple, swift mechanochemical synthesis of metal-organic frameworks (MOFs) using a kitchen grinder. By adopting this tool, we could synthesize ZIF-8, CuBTC, and MIL-100(Fe) in multi gram-scale and successfully employ MIL-100(Fe)-KG for the efficient (ca. 98%) removal of an organic dye (methylene blue) from aqueous solution. In particular, we demonstrated the significance of pore aperture for effective dye adsorption by comparing the adsorption behaviours of ZIF-8-KG and MIL-100(Fe)-KG. We believe that this approach could be of economic interest towards the green synthesis of porous adsorbents for waste-water treatment.1 aSamal, Mahalaxmi1 aPanda, Jagannath1 aBiswal, Bishnu, P.1 aSahu, Rojalin  uhttps://library.ncl.res.in/content/kitchen-grinder-tool-synthesis-metal-organic-frameworks-towards-size-selective-dye02172nas a2200181   4500008004100000022001400041245009300055210006900148260000800217300001500225490000600240520153500246100002401781700002801805700002501833700002201858856011001880       2018                        eng d  a2044-475300a KLTL-MCM-41 micro-mesoporous composite as a solid base for the hydrogenation of sugars 0 aKLTLMCM41 micromesoporous composite as a solid base for the hydr  cDEC  a 6429-64400 v83 aAn approach to the synthesis of KLTL-MCM-41 micro-mesoporous composites of varying SiO2/Al2O3 molar ratio (20-8) was designed by following green technology. The synthesis was based on the recycling of waste mother liquor containing preformed KLTL zeolite crystals and unutilized reagents. The micro-mesoporous composites consist of KLTL zeolite crystals preformed through hydrothermal treatment in the first step. In the second step, the siliceous mother liquor was transformed into mesoporous MCM-41. The physico-chemical properties of the KLTL-MCM-41 micro-mesoporous composites were determined by PXRD, ICP-OES, FTIR, CO2-TPD, Al-27 MAS-NMR, TEM-EDX, HRTEM, and N-2 adsorption-desorption measurements. The mesopores properties of the KLTL-MCM-41 composites depended on the SiO2/Al2O3 molar ratio. The characterization results led to the following conclusions with decreasing SiO2/Al2O3 molar ratio: 1) decreasing order of the mesophase, 2) decreasing wall thickness of the mesopores, and 3) decreasing BET surface area and pore volume. Al-27 MAS-NMR spectra showed that only tetrahedrally coordinated aluminium was contained in zeolite KLTL. Moreover, the total amount and the strength of the basic sites of the KLTL-MCM-41 micro-mesoporous composites owing to the exchangeable potassium content (Al/K ratio approximate to 1) decreased in the order: 8 MMC > 10 MMC > 15 MMC > 20 MMC. The catalytic activity of the synthesized micro-mesoporous samples as a solid base was tested for the hydrogenation of xylose to sugar alcohols1 aTangale, Nilesh, P.1 aNiphadkar, Prashant, S.1 aJoshi, Praphulla, N.1 aDhepe, Paresh, L.  uhttps://library.ncl.res.in/content/kltl-mcm-41-micro-mesoporous-composite-solid-base-hydrogenation-sugars01307nas a2200145   4500008004100000245012400041210006900165260000800234300001400242490000800256520072100264100002500985700002101010856013001031       2018                        eng d00aKnowledge, attitude and practice of antibiotic use and antimicrobial resistance: a study post the 'Red Line' initiative0 aKnowledge attitude and practice of antibiotic use and antimicrob  cMAY  a1866-18770 v1143 aAntimicrobial resistance (AMR) is propagated by irrational use of antibiotics by healthcare practitioners and the uninformed public. This study assessed a select cohort of 504 urban Indians for their knowledge, awareness and practice of antibiotic use and AMR. Forty seven per cent were unaware of the differences between over-the-counter drugs and antibiotics. One in four believes that dose-skipping does not contribute to AMR. One in ten tends to self-medicate. One in five bought medicines without prescription or started an antibiotic course by calling a doctor. Our results mandate educational campaigns, stewardship and surveillance at the national level for prudent antimicrobial use in the Indian community.1 aBanerjee, Deepanwita1 aRaghunathan, Anu  uhttps://library.ncl.res.in/content/knowledge-attitude-and-practice-antibiotic-use-and-antimicrobial-resistance-study-post-red02328nas a2200157   4500008004100000245006600041210006600107260000800173300003200181490000800213520181200221100001302033700001402046700001502060856009502075       2019                        eng d00aKinetics of cinnamaldehyde hydrogenation in four phase system0 aKinetics of cinnamaldehyde hydrogenation in four phase system  cDEC  aArticle Number: UNSP 1205120 v3773 a<p>The kinetics of cinnamaldehyde hydrogenation in four phase system viz. gas (hydrogen)-liquid (cinnamaldehyde + toluene)-liquid (aqueous KOH)-solid (catalyst, 5% Pt/C), [GLLS] system has been studied in this work. As reported, addition of aqueous alkali in hydrogenation of unsaturated aldehydes like cinnamaldehyde shifts selectivity towards unsaturated alcohol, cinnamyl alcohol. The promotion action by alkali metals for improving selectivity towards cinnamyl alcohol involves changes in the adsorption mechanism of the cinnamaldehyde in a way that CO bond get preferentially hydrogenated. In cinnamaldehyde hydrogenation in presence of promoters two different catalytic sites can be considered, each for CO and CC bond hydrogenation. In accordance with this consideration and as demonstrated in various studies on hydrogenation of unsaturated aldehydes, further hydrogenation of intermediate-cinnamyl alcohol (CC bond hydrogenation) occurs on Pt only sites while cinnamaldehyde and intermediate hydrocinnamaldehyde (both involving CO bond hydrogenation) are hydrogenated on catalytic sites affected by promoters. This preferential adsorption and hydrogenation through CO bond leads to the increased selectivity of cinnamyl alcohol. Although, many authors have studied cinnamaldehyde hydrogenation using various promoters, there are very few reports on kinetics in which this two site approach behind promotion action has been considered. The effect of various operating parameters on the rates of hydrogenation was studied and the two site Langmuir-Hinshelwood type of kinetic model was used for evaluating the kinetic parameters by fitting experimental data. The thermodynamic model for estimating the solubility of hydrogen in the reaction mixture was incorporated with this kinetic model.</p>
1 aKhan, M.1 aJoshi, S.1 aRanade, V.  uhttps://library.ncl.res.in/content/kinetics-cinnamaldehyde-hydrogenation-four-phase-system01730nas a2200217   4500008004100000022001400041245010400055210006900159260000800228300001200236490000700248520099900255653001301254653002101267653001301288653001701301653002301318100002101341700002301362856012701385       2019                        eng d  a0538-806600aKinetics of hydroformylation of 1-decene using carbon-supported ossified HRh(CO)(TPPTS)(3) catalyst0 aKinetics of hydroformylation of 1decene using carbonsupported os  cFEB  a112-1220 v513 a<p>The kinetics of hydroformylation of 1-decene has been investigated using a carbon-supported ossified HRh(CO)(TPPTS)(3)/Ba catalyst in a temperature range of 343-363 K. The effect of concentration of 1-decene, catalyst loading, partial pressure of H-2 and CO, and stirring speed on the reaction rate has been investigated. A first-order dependence was observed for catalyst concentration and hydrogen partial pressure. The rate showed a typical case of substrate inhibition for high 1-decene concentration. The rate varied with a linear dependence on P-CO up to a CO partial pressure of 5-6 MPa in contrast to the general trends; for most of the rhodium-phosphine catalyzed hydroformylation reactions, severe inhibition of rate is observed with an increase in CO pressure. A rate equation has been proposed, which was found to be in good agreement with the observed rate data within the limit of experimental errors. The kinetic parameters and activation energy values have been reported.</p>10a1-decene10aHydroformylation10akinetics10aossification10asupported ossified1 aPagar, Nitin, S.1 aDeshpande, Raj, M.  uhttps://library.ncl.res.in/content/kinetics-hydroformylation-1-decene-using-carbon-supported-ossified-hrhcotppts3-catalyst02202nas a2200181   4500008004100000022001400041245009100055210006900146260000900215300001600224490000700240520158200247100002301829700002401852700002001876700000501896856011901901       2019                        eng d  a0888-588500aKinetics of hydrogenation of aqueous levulinic acid over bimetallic Ru-Ni/MMT catalyst0 aKinetics of hydrogenation of aqueous levulinic acid over bimetal  cOCT   a19803-198170 v583 a<p>gamma-Valerolactone is one of the value-added products obtained from levulinic acid hydrogenation, having tremendous applications in fuels and chemicals. In this work, several monometallic and bimetallic compositions of Ru and Ni were prepared and evaluated for levulinic acid hydrogenation in an aqueous medium. The optimum composition of 0.5 wt % Ru and 5 wt % Ni on MMT was found to achieve 91% levulinic acid conversion with complete selectivity to gamma-valerolactone within 5 h at 220 degrees C and 250 psig H-2 pressure. XPS and H-2-TPR studies clearly showed that the electronic interactions between Ru-Ni leading to the synergism enhanced the catalytic efficiency of the Ru-Ni bimetallic catalyst. The average metal particle size by HRTEM was found to be in the range of 1.5-4.5 nm, having mixed cubic, oval, and spherical morphology, dispersed on the surface as well as within the layers of MMT. NH3-TPD showed a higher acidity due to both Lewis and Bronsted sites of the 0.5 wt % Ru-5 wt % Ni/MMT catalyst than individual MMT and monometallic catalysts. The presence of higher Lewis acidic sites preferred selective formation of GVL. Reaction kinetics was studied to propose the rate equation for this reaction based on which a plausible reaction pathway is proposed involving a first step dehydration of levulinic acid to an alpha-angelica lactone intermediate which then undergoes hydrogenation by dissociatively adsorbed H-2 to form gamma-valerolactone. The stability of our catalyst was proved by its recycle studies as well as by a hot filtration test.</p>
1 aKasar, Gayatri, B.1 aMedhekar, Rucha, S.1 aBhosale, P., N.1 a  uhttps://library.ncl.res.in/content/kinetics-hydrogenation-aqueous-levulinic-acid-over-bimetallic-ru-nimmt-catalyst02147nas a2200217   4500008004100000022001400041245020600055210006900261260000900330300001100339490000800350520128800358653002601646653002501672653001401697653002101711653001601732100002301748700002801771856013001799       2020                        eng d  a0277-538700aKinetic and biocompatibility investigation on the catalytic ring opening polymerization of L-lactide in bulk using cyclic Bu2Sn initiators derived from ethylene glycol, pentaerythritol and cloisite 30B0 aKinetic and biocompatibility investigation on the catalytic ring  cJAN   a1142020 v1753 a<p>In the present work, considering a green approach, PLLA was synthesized by the ring-opening polymerization of L-LA using various cyclic initiators (2,2-dibutyl-2-stanna-1,3-dioxacyclo ethane (1), spirocyclic tin (3) and cloisite modified tin (5)). PLLA was characterized by size exclusion chromatography, differential scanning calorimetry, H-1 and C-13 NMR, XRD and MALDI-TOF. The molecular weight distribution was narrow (&lt;1.5) for both low and high molecular weights (&gt;85,000 g/mol). An X-ray study showed the crystalline nature of PLLA, irrespective of the different types of initiators and polymerization conditions. A kinetic investigation showed that all polymerizations were first order with respect to the monomer and no termination reactions occurred during the polymerization. MALDI-TOF spectra of PLLA chains doped with Na+ and K+ cations show that the PLLA prepared using initiators 1 and 3 have hydroxyl and carboxyl end groups without incorporation of tin. The MALDI-TOF spectrum of PLLA prepared using initiator 5 also enabled the simultaneous detection of the linear and cyclic structure of PLLA without tin. Biocompatible and biodegradable PLLA was obtained, which could be used for biomedical applications. (C) 2019 Elsevier Ltd. All rights reserved.</p>
10aCloisite modified tin10aCyclic tin initiator10aMALDI-TOF10aPoly (L-Lactide)10aSpirocyclic1 aMohite, Kavita, K.1 aGarnaik, Baijayantimala  uhttps://library.ncl.res.in/content/kinetic-and-biocompatibility-investigation-catalytic-ring-opening-polymerization-l-lactide01621nas a2200229   4500008004100000022001400041245007800055210006900133260000800202300001200210490000700222520089800229653001301127653001601140653002101156653001301177653002201190100002101212700002801233700002301261856010701284       2020                        eng d  a0538-806600aKinetics of hydroformylation of camphene using rhodium-phosphite catalyst0 aKinetics of hydroformylation of camphene using rhodiumphosphite   cJUL  a485-4950 v523 a<p>Kinetics of hydroformylation of camphene was investigated in the presence of [Rh(CO)(2)(acac)]/P(OPh)(3) catalyst in a temperature range of 363-383 K. The influence of parameters such as stirring speed, camphene, catalyst, ligand concentrations, and partial pressures of H-2 and CO on the activity and selectivity of the catalyst has been studied. The rate showed a first-order dependence with respect to catalyst and camphene concentrations. The effect of partial pressure of hydrogen showed fractional order dependence. The plots of rate versus excess ligand, that is, (P(OPh)(3)) concentration and rate versus CO partial pressure passed through maxima and showed typical substrate/ligand inhibited kinetics. An empirical rate equation has been proposed and found to be in good agreement with the observed rate data. The kinetic parameters and activation energy were also evaluated.</p>
10acamphene10ahomogeneous10aHydroformylation10akinetics10arhodium-phosphite1 aPagar, Nitin, S.1 aRajurkar, Kalpendra, B.1 aDeshpande, Raj, M.  uhttps://library.ncl.res.in/content/kinetics-hydroformylation-camphene-using-rhodium-phosphite-catalyst01762nas a2200265   4500008004100000022001400041245015100055210006900206260000800275300001200283490000700295520089300302653001301195653001901208653001301227653001401240653001101254653002101265653001301286653001401299653001801313100002101331700002301352856012101375       2021                        eng d  a0538-806600aKinetics of 1-decene hydroformylation in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of a cosolvent0 aKinetics of 1decene hydroformylation in an aqueous biphasic medi  cMAR  a333-3440 v533 a<p>The kinetics of hydroformylation of 1-decene has been studied in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of N-methyl pyrrolidone as a cosolvent at 383-403 K. The rate was found to be first order, with concentrations of catalyst and olefin and partial order, with concentrations of hydrogen in the liquid phase. The plot of rate versus excess ligand and CO concentrations passed through maxima, indicating negative order dependence at higher concentrations. These trends have been interpreted based on the established hydroformylation mechanism. High selectivity towards the linear aldehyde was maintained (n: iso ratio &gt; 30). An empirical rate equation has been proposed which was found to be in good agreement with the observed rate data within the experimental error. The activation energy was evaluated to be 74.76 kJ/mol.</p>
10a1&\#820810aaqueous&\#820810abiphasic10acosolvent10adecene10aHydroformylation10akinetics10arh&\#820810asulfoxantphos1 aPagar, Nitin, S.1 aDeshpande, Raj, M.  uhttps://library.ncl.res.in/content/kinetics-1-decene-hydroformylation-aqueous-biphasic-medium-using-water-soluble-rh01867nas a2200229   4500008004100000022001400041245017400055210006900229260000900298300001400307490000800321520099000329653003201319653001601351653002001367653002801387653001301415100002501428700002801453700002601481856013001507       2022                        eng d  a1615-415000aK3PO4-promoted cycloannulation of (E)-beta-Iodovinyl Sulfones with ortho-Hydroxy-chalcones/cinnamates for the synthesis of 2,3,4-trisubstituted 4h-benzopyran derivatives0 aK3PO4promoted cycloannulation of EbetaIodovinyl Sulfones with or  cDEC   a4080-40870 v3643 a<p>
	K3PO4-mediated cycloannulation of (E)-beta-iodovinyl sulfones with ortho-hydroxy chalcones/ortho-hydroxy cinnamates has been realized to access 2,3,4-trisubstituted-4H-benzopyran derivatives. A metal-free tandem oxa-Michael addition and cycloannulation allows the diversity-oriented synthesis of the corresponding 3-sulfonyl-4H-benzopyrans in good to high yields. More importantly, one-pot three-component reaction between (E)-beta-iodovinyl sulfones, 2-hydroxybenzaldehydes, and phosphonium ylides has been established for the synthesis of 4H-chromene derivatives in moderate to good yields. Notably, this metal-free process features a broad substrate scope and easy elaboration into numerous multifaceted chromene products, including bioactive estrone-derivative. The present protocol is sustainable at the gram scale reactions, and post-synthetic applications were also demonstrated. A plausible mechanism is also presented on the basis of existing experimental results.</p>
10a(E)-beta-Iodovinyl sulfones10aBenzopyrans10aCycloannulation10aortho-Hydroxy Chalcones10aSulfones1 aReddy, Raju, Jannapu1 aKumar, Jangam, Jagadesh1 aKrishna, Gamidi, Rama  uhttps://library.ncl.res.in/content/k3po4-promoted-cycloannulation-e-beta-iodovinyl-sulfones-ortho-hydroxy-chalconescinnamates00651nas a2200181   4500008004100000022001400041245009200055210006900147260000800216300000800224490000800232100001900240700001700259700002300276700001900299700003000318856012100348       2022                        eng d  a0006-349500aKinetic model of GPCR-G protein interactions reveals allokairic modulation of signaling0 aKinetic model of GPCRG protein interactions reveals allokairic m  cFEB  a1220 v1211 aCulhane, Kelly1 aGupte, Tejas1 aMadhugiri, Indrani1 aGadgil, Chetan1 aSivaramakrishnan, Sivaraj  uhttps://library.ncl.res.in/content/kinetic-model-gpcr-g-protein-interactions-reveals-allokairic-modulation-signaling02248nas a2200241   4500008004100000022001400041245011700055210006900172260000800241300001400249490000800263520142700271653002001698653001701718653001801735653002101753653001701774100002301791700002301814700002101837700002101858856012701879       2022                        eng d  a0008-403400aKinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Bronsted acidic ionic liquids0 aKinetic study on alkylation of hydroquinone with methanol over S  cOCT  a2986-29960 v1003 a<p>
	O-alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Bronsted acidic ionic liquids (i.e., 1,3-disulphonic acid imidazolium hydrogen sulphate, 1,3-disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre-exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in lnk against a 1/T plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.</p>
10a4-Methoxyphenol10aHydroquinone10aionic liquids10aKinetic analysis10aO-alkylation1 aBhongale, Priyanka1 aAmonkar, Amogh, A.1 aJoshi, Sunil, S.1 aMali, Nilesh, A.  uhttps://library.ncl.res.in/content/kinetic-study-alkylation-hydroquinone-methanol-over-so3h-functionalized-bronsted-acidic03086nas a2200457   4500008004100000022001400041245010700055210006900162260000800231300001600239490000800255520166200263653001701925653002501942653001701967653000901984100002301993700001902016700001902035700002402054700002102078700002602099700001802125700002802143700001702171700003002188700001802218700001802236700002202254700001802276700001902294700002702313700002002340700003002360700002202390700002102412700002502433700002402458700002402482856012202506       2022                        eng d  a0027-842400aKupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis0 aKupyaphores are zinc homeostatic metallophores required for colo  cFEB  ae21102931190 v1193 a<p>
	Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.</p>
10ametallophore10anutritional immunity10atuberculosis10azinc1 aMehdiratta, Kritee1 aSingh, Shubham1 aSharma, Sachin1 aBhosale, Rashmi, S.1 aChoudhury, Rahul1 aMasal, Dattatraya, P.1 aManocha, Alzu1 aDhamale, Bhushan, Dilip1 aKhan, Naseem1 aAsokachandran, Vivekanand1 aSharma, Pooja1 aIkeh, Melanie1 aBrown, Amanda, C.1 aParish, Tanya1 aOjha, Anil, K.1 aMichael, Joy, Sarojini1 aFaruq, Mohammed1 aMedigeshi, Guruprasad, R.1 aMohanty, Debasisa1 aReddy, Srinivasa1 aNatarajan, Vivek, T.1 aKamat, Siddhesh, S.1 aGokhale, Rajesh, S.  uhttps://library.ncl.res.in/content/kupyaphores-are-zinc-homeostatic-metallophores-required-colonization-mycobacterium00831nas a2200265   4500008004100000022001400041245008800055210006900143260000900212300001600221490000700237653001500244653002400259653001600283653000800299653001400307100001800321700001800339700001900357700001800376700001400394700001900408700002300427856011500450       2024                        eng d  a2050-748800aKinetic H2S/CO2  selectivity in an exceptionally sterically hindered amine membrane0 aKinetic H2SCO2 selectivity in an exceptionally sterically hinder  cOCT   a29138-291440 v1210aAbsorption10aCOMPOSITE MEMBRANES10aGAS STREAMS10aH2S10aThin-Film1 aRao, Shraavya1 aDeng, Xuepeng1 aZou, Changlong1 aPrasad, Babul1 aHan, Yang1 aLin, Li-Chiang1 aHo, W., S. Winston  uhttps://library.ncl.res.in/content/kinetic-h2sco2-selectivity-exceptionally-sterically-hindered-amine-membrane01441nas a2200181   4500008004100000022001400041245008500055210006900140260000900209300001400218490000700232520080200239100002401041700003601065700002101101700003201122856010501154       2024                        eng d  a0888-588500aKinetic model of hydrogenation of glucose to sorbitol on a Ni/Bentonite catalyst0 aKinetic model of hydrogenation of glucose to sorbitol on a NiBen  cMAR   a4771-47810 v633 a<p>
	In the present work, we studied the hydrogenation of glucose to sorbitol using a nickel/bentonite catalyst. The Ni/bentonite catalyst was prepared by the wet impregnation method and characterized by different methods to understand the catalyst surface morphology, surface area, metal content, pore size, etc. Different reaction parameters such as temperature, hydrogen pressure, metal loading, catalyst loading, and agitation speed were studied to achieve a glucose conversion of 96.8% and a sorbitol selectivity of 95.3%. The reusability test was performed to examine the stability of the catalyst. The kinetic models such as the Eley-Rideal and Langmuir-Hinshelwood-Hougen-Watson models were used to study the hydrogenation of glucose and activation energy required for the reaction.</p>
1 aPandya, Harmitkumar1 aVinod, Chathakudath, Prabhakara1 aRathod, Virendra1 aKantam, Mannepalli, Lakshmi  uhttps://library.ncl.res.in/content/kinetic-model-hydrogenation-glucose-sorbitol-nibentonite-catalyst02198nas a2200205   4500008004100000022001400041245011300055210006900168260000800237490000700245520142100252653001301673653002901686653002501715653003501740653003401775100002901809700002601838856012801864       2025                        eng d  a1433-785100aKetenimine multicomponent strategy for multifaceted amidine functionalization of peptides on the solid phase0 aKetenimine multicomponent strategy for multifaceted amidine func  cSEP0 v643 a<p>
	The amidine group and its derivatives serve as proteolytically stable bioisosteres of the peptide bond, and their selective incorporation into peptides attributes significant chemical and biological features. This study introduces an efficient synthesis of amidine-containing peptides by a copper-catalyzed, solid-phase-compatible multicomponent reaction (MCR), leveraging ketenimine intermediates that are generated in situ. Through the reaction of sulfonyl azides with terminal alkynes and a wide variety of amines, we establish the robust on-resin synthesis of delta/epsilon-amidine amino acids, arginine isologues, fluorescently labeled peptides, drug-peptide hybrids, and PEGylated derivatives. This strategy notably supports a wide range of peptide modifications, including side chain alteration, amine functionalization, and peptide macrocyclization through both backbone and side chain groups, as well as incorporating aromatic scaffolds into the peptide backbone. The methodology demonstrates broad substrate tolerance, compatibility with peptide chemistry protocols, and access to complex motifs, including pharmacophores and imaging tags, all within a single reaction platform. Our results underscore the synthetic versatility and functional applicability of ketenimine-based MCRs for advanced peptide modification, expanding the chemical space of peptide medicinal chemistry and therapeutics.</p>
10aAmidines10amulticomponent reactions10apeptide modification10aPeptide-small molecule hybrids10aSolid phase peptide synthesis1 aBodake, Supriya, Mahadev1 aMarelli, Udaya, Kiran  uhttps://library.ncl.res.in/content/ketenimine-multicomponent-strategy-multifaceted-amidine-functionalization-peptides-solid01490nas a2200241   4500008004100000022001400041245008000055210006900135260000800204300001200212490000700224520074000231653001800971653001800989653002101007653001301028653001401041653001401055100002101069700002801090700002101118856010901139       2025                        eng d  a0538-806600aKinetic investigation on palladium-catalyzed carbonylation of allyl alcohol0 aKinetic investigation on palladiumcatalyzed carbonylation of all  cOCT  a153-1630 v573 a<p>
	Palladium-catalyzed carbonylation of allyl alcohol to 3-butenoic acid has been investigated. A significant effect of halide promoters, p-tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363-383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.</p>
10aallyl alcohol10aCarbonylation10ahalide promoters10akinetics10aMechanism10aPalladium1 aTonde, Sunil, S.1 aRajurkar, Kalpendra, B.1 aPagar, Nitin, S.  uhttps://library.ncl.res.in/content/kinetic-investigation-palladium-catalyzed-carbonylation-allyl-alcohol01360nas a2200229   4500008004100000022001400041245005000055210005000105260000900155300001200164490000700176520071800183100001700901700002100918700002500939700001600964700001900980700001700999700001701016700001901033856007801052       2026                        eng d  a0276-733300aKekule diradicaloid with a naphthalene spacer0 aKekule diradicaloid with a naphthalene spacer  cMAR   a624-6270 v453 a<p>
	The availability of a diverse array of carbenes led to the generation of a catalog of carbene based Kekule diradicaloids, but the linker in such molecules is mostly limited to phenylene or biphenylene. Here we have prepared a closed-shell Kekule diradicaloid (2) separated by a naphthalene moiety and stabilized by two capping 5-SIDipp [5-SIDipp = 1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] from the reduction of the corresponding dication (1). The combined experimental and computational studies confirm that 2 is in a closed-shell singlet state exhibiting a singlet-triplet energy difference (Delta ES-T) of 18.7 kcal/mol, which is considerably lower than Thiele's version (29.1 kcal/mol).</p>
1 aKundu, Gargi1 aPramanik, Debjit1 aDash, Soumya, Ranjan1 aKumar, Ravi1 aTothadi, Srinu1 aGhosh, Aryya1 aVanka, Kumar1 aSen, Sakya, S.  uhttps://library.ncl.res.in/content/kekule-diradicaloid-naphthalene-spacer