16135nas a2200313 45000080041000000220014000412450111000552100069001662600009002353000011002444900008002555201507500263653003115338653005615369653002515425653001915450100001915469700002315488700001915511700001715530700001815547700002215565700001815587700002315605700001815628700002315646700002015669856013215689 2020 eng d a0925-838800aElucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass0 aElucidating the effect of CaF 2 on structure biocompatibility an cAUG  a1547040 v8313 a

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol%) given by (53.86) SiO2 – (22.65) Na2O – (21.77-x) CaO – (1.72) P2O5 – x CaF2, where, x = 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation – fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si–O–P bonds. The gradual substitution of CaF2 for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+ cations leading to a decrease in the association of Na+ ions with orthophosphate and silicate units. These overall structural findings were correlated with the in vitro ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their in vitro cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20 mg/ml) in E.coli bacterial inoculum in which bactericidal action was evidenced.

10aFluoride bioactive glasses10aIn vitro apatite formation and bactericidal action10aMAS-NMR spectroscopy10aMD simulations1 aPrasad, Sakthi1 aGanisetti, Sudheer1 aJana, Anuradha1 aKant, Shashi1 aSinha, P., K.1 aTripathy, Sucheta1 aIllath, Kavya1 aAjithkumar, T., G.1 aAnnapurna, K.1 aAllu, Amarnath, R.1 aBiswas, Kaushik uhttps://library.ncl.res.in/content/elucidating-effect-caf-2-structure-biocompatibility-and-antibacterial-properties-s53p4-glass00890nas a2200253 4500008004100000022001400041245013400055210006900189260000800258300001100266490000800277100001900285700002300304700001900327700001700346700001800363700002200381700001800403700002300421700001800444700002300462700002000485856013100505 2021 eng d a0925-838800aElucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)0 aElucidating the effect of CaF2 on structure biocompatibility and cNOV a1612530 v8831 aPrasad, Sakthi1 aGanisetti, Sudheer1 aJana, Anuradha1 aKant, Shashi1 aSinha, P., K.1 aTripathy, Sucheta1 aIllath, Kavya1 aAjithkumar, T., G.1 aAnnapurna, K.1 aAllu, Amarnath, R.1 aBiswas, Kaushik uhttps://library.ncl.res.in/content/elucidating-effect-caf2-structure-biocompatibility-and-antibacterial-properties-s53p4-glass02462nas a2200289 4500008004100000022001400041245015400055210006900209260000900278300001400287490000800301520141200309653002501721653002601746653002101772100001801793700002701811700002501838700003701863700003201900700002501932700002101957700001901978700002301997700002002020856013202040 2022 eng d a0141-813000aEffect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers0 aEffect of oxalic acid and sulphuric acid hydrolysis on the prepa cJUN  a1745-17590 v2093 a

Nanocellulose is the ``green magnet'' which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.

10acellulose nanofibers10aCellulosic nanopapers10aPineapple pomace1 aNeenu, K., V.1 aDominic, C., D. Midhun1 aBegum, P., M. Sabura1 aParameswaranpillai, Jyotishkumar1 aKanoth, Bipinbal, Parambath1 aDavid, Deepthi, Anna1 aSajadi, Mohammad1 aDhanyasree, P.1 aAjithkumar, T., G.1 aBadawi, Michael uhttps://library.ncl.res.in/content/effect-oxalic-acid-and-sulphuric-acid-hydrolysis-preparation-and-properties-pineapple-pomace01942nas a2200229 4500008004100000245009800041210006900139260000900208300001200217490000700229520115200236100002501388700002201413700002201435700002401457700002201481700002201503700002301525700002401548700002401572856011601596 2022 eng d00aThe effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine0 aeffects of cis and trans butenedioic acid on the physicochemical cJAN  a156-1680 v243 aThe present work investigates the effects of cis and trans butenedioic acid isomers (maleic acid and fumaric acid) on the crystallinity and pharmaceutical behavior of lumefantrine. Differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), attenuated total reflectance infrared spectroscopy (ATR-IR), solid-state nuclear magnetic resonance spectroscopy (ss-NMR), and single-crystal X-ray diffraction (SC-XRD) studies were employed. Lumefantrine-fumaric acid crystallized as a salt in the monoclinic space group P2(1)/c. In comparison, DSC and PXRD showed the formation of a co-amorphous solid with maleic acid. Complete proton transfer with a strong ionic interaction led to crystalline salt formation with the trans isomer, whereas weaker/fewer hydrogen bonds with the cis isomer of butenedioic acid led to a co-amorphous salt. The in vitro dissolution of both salts resulted in a similar 2.6-2.7-fold improvement in dissolution rate when compared to that of the crystalline lumefantrine. The crystalline and co-amorphous salts were stable under accelerated stability conditions (40 +/- 2 degrees C and 75 +/- 5% RH) for one month.1 aTomar, Devendrasingh1 aLodagekar, Anurag1 aGunnam, Anilkumar1 aAllu, Suryanarayana1 aChavan, Rahul, B.1 aTharkar, Minakshi1 aAjithkumar, T., G.1 aNangia, Ashwini, K.1 aShastri, Nalini, R. uhttps://library.ncl.res.in/content/effects-cis-and-trans-butenedioic-acid-physicochemical-behavior-lumefantrine02741nas a2200325 4500008004100000022001400041245014700055210006900202260000800271300001100279490000800290520162800298653002601926653001601952653001501968653001601983100002701999700002902026700003202055700001902087700001802106700002502124700001902149700003702168700002202205700002302227700001902250700001802269856012802287 2024 eng d a0959-652600aExtraction, characterization, and life cycle assessment of nanosilica from millet husk: sustainable alternative with low environmental impact0 aExtraction characterization and life cycle assessment of nanosil cFEB a1409240 v4423 a

Eco-friendly approaches for silica production are highly researched to respond increasing industrial demand for bio-nanofillers. Herein, nanosilica of 10-20 nm with mesoporosity was obtained through a mild oxalic acid pre-treatment of millet husk, followed by calcination at 700 degrees C for 2 h. Compared with commercial precipitated silica (CS) and millet husk ash (MHA) directly obtained by calcination of the husk, the pre-treated silica (MHS) had higher purity, revealed using EDX spectroscopy. Moreover, FTIR and Si-29 NMR showed a higher condensation degree in MHS with 73% of Q4 siloxane bonds vs 4% in MHA. The release of the metal and organic impurities from the husk also allows to reduce the crystallinity of MHS, and to increase the specific surface area from 82 m(2)/g in MHA to 238 m(2)/g in MHS. The type II N-2 adsorption-desorption isotherms of MHA and MHS indicate aggregates of non-porous silica particles. MHS also demonstrated remarkable thermal resilience. According to the LCA analysis, MHS has a 40% lower impact on global warming, a 38% lower impact on human carcinogenic toxicity, and a 38% lower impact on terrestrial acidification compared to rice husk nanosilica. This research thus addresses sustainability challenges by repurposing millet husks, which are readily available due to continuous millet cultivation, particularly in India. By reducing the ecological impact of husk disposal through burning, this study offers an economically viable technology for high-purity silica production, aligning with global efforts to combat climate change and promote sustainable practices.

10aLife cycle assessment10aMillet husk10aNanosilica10aOxalic acid1 aDominic, C., D. Midhun1 aRosa, Derval, dos Santos1 aBarbosa, Rennan, Felix da S1 aAnagha, O., V.1 aNeenu, K., V.1 aBegum, P., M. Sabura1 aKumar, Aswathy1 aParameswaranpillai, Jyotishkumar1 aSiriwong, Chomsri1 aAjithkumar, T., G.1 aShelke, Ankita1 aPasc, Andreea uhttps://library.ncl.res.in/content/extraction-characterization-and-life-cycle-assessment-nanosilica-millet-husk-sustainable02340nas a2200265 4500008004100000022001400041245011700055210006900172260000800241300001100249490000800260520142700268653002501695653001801720653002201738100001701760700001701777700002001794700002001814700002301834700003701857700002101894700002701915856013201942 2025 eng d a0141-813000aExtraction of highly crystalline and thermally stable cellulose nanofiber from Heliconia psittacorum L.f. leaves0 aExtraction of highly crystalline and thermally stable cellulose  cMAY a1422640 v3083 a

Extracting cellulose nanofibers (CNF) from agro-waste is one of the promising and practical ways to develop sustainable nanocomposites. In this study, cellulose nanofibers were extracted from the leaves of Heliconia psittacorum for the first time. The combination of oxalic acid hydrolysis (5 wt%) and steam explosion was used for the isolation of CNF from the leaves of Heliconia psittacorum. The structural and chemical features of the prepared CNF were analyzed using various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Solid state 13C Nuclear Magnetic Resonance Spectroscopy (13C NMR), Scanning Electron Microscopy (SEM), Energy Dispersive X ray analysis (EDX), Transmission electron Microscopy (TEM), X-Ray Diffraction (XRD) and Thermogravimetric analysis (TGA). TEM micrographs reported 15 to 40 nm diameter for the nanofibers synthesized. XRD analysis reported 91 % crystallinity index for CNF, whereas that of the untreated sample was 76 %. The maximum degradation of the CNF is reported at 355 degrees C, exceeds the untreated sample (316 degrees C). The tensile strength of the CNF derived paper was found to be 23 MPa. The recovered nanocellulose can be further utilized for various applications such as the automobile industry for developing lightweight parts, biosensors, super capacitors, absorption of greenhouse gases, wastewater treatment, and packaging applications.

10abiomass valorization10aNanocellulose10aWaste to resource1 aPaul, Sharon1 aJoseph, Anto1 aHridhya, P., D.1 aBadawi, Michael1 aAjithkumar, T., G.1 aParameswaranpillai, Jyotishkumar1 aAsrofi, Mochamad1 aDominic, C., D. Midhun uhttps://library.ncl.res.in/content/extraction-highly-crystalline-and-thermally-stable-cellulose-nanofiber-heliconia-psittacorum02711nas a2200301 4500008004100000022001400041245013500055210006900190260000900259300001100268490000800279520168000287653001801967653003001985653002802015653002402043653001602067653002002083100002802103700001902131700001902150700002102169700002302190700002602213700001602239700002502255856012902280 2026 eng d a2468-823100aEffect of sulfonation density on acid strength in ion exchange resins: Insights from solid-state NMR and density functional theory0 aEffect of sulfonation density on acid strength in ion exchange r cMAR  a1157940 v5933 a

Ion-exchange (IE) resins are widely used as solid acid catalysts; however, their surface acidity remains poorly characterized because their limited thermal stability precludes conventional NH3-based acidity measurements. Moreover, acid-site accessibility in IE resins is strongly governed by solvent- or reactant-induced swelling. Here, we investigate the surface acidity of commercial Amberlyst and Indion IE resins using & sup3;& sup1;P MAS NMR (Magic Angle Spinning Nuclear Magnetic Resonance), employing TMPO as a molecular probe dispersed on the resin with moderately swelling dichloromethane, thereby capturing the swollen-state acidity relevant for predicting catalytic activity. The deconvolution of the P-31 MAS NMR spectra reveals three distinct acid-strength zones arising from inhomogeneous sulfonation of the polymer matrix. The overall acidity, quantified by the area-weighted average P-31 chemical shift (delta), increases monotonically with sulfonation density. Notably, only resins containing acid sites stronger than similar to 80 ppm exhibited measurable catalytic activity in alpha-pinene isomerization, establishing a direct correlation between acidity and activity. Density functional theory (DFT) calculations on representative resin models, supported by electron-density analyses, attribute the enhancement of acid strength at higher sulfonation densities to cooperative hydrogen-bonding networks among neighboring sulfonic acid groups. Together, these findings establish P-31 MAS NMR-derived surface acidity as a catalytically relevant descriptor for the rational selection of IE resins in liquid phase acid-catalyzed chemistries.

10aAcid strength10aDensity functional theory10aheterogeneous catalysis10aIon-exchange resins10aSolid acids10aSolid-state NMR1 aTumulu, Goutam, Narayan1 aDatar, Sarvesh1 aShelke, Ankita1 aSwain, Gitanjali1 aAjithkumar, T., G.1 aThirumalaiswamy, Raja1 aMohan, Ojus1 aMahajani, Sanjay, M. uhttps://library.ncl.res.in/content/effect-sulfonation-density-acid-strength-ion-exchange-resins-insights-solid-state-nmr-and