01184nas a2200181   4500008004100000022001400041245011300055210006900168260000800237300001600245490000700261520053100268100001700799700001400816700002300830700001800853856013100871       2018                        eng d  a1359-734500a One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation0 aOne pot ligand exchange method for a highly stable AuSBA15 catal  cNOV  a12412-124150 v543 aA modified deposition precipitation (DP) method has been developed to address a fundamental issue of supporting well dispersed Au nanoparticles on silica. Ammonium chloride (NH4Cl) plays an important role in in situ modifying the gold precursor (HAuCl(4)3H(2)O) solution allowing facile deposition of gold NPs in the channels of SBA-15. The Au-SBA-15 catalyst (2.8 wt%) synthesized by this procedure showed 100% conversion for CO oxidation at room temperature with excellent stability at room temperature and high temperature.1 aSoni, Yogita1 aKavya, I.1 aAjithkumar, T., G.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/one-pot-ligand-exchange-method-highly-stable-au-sba-15-catalyst-and-its-room-temperature-co02393nas a2200217   4500008004100000022001400041245009600055210006900151260000800220300000900228490000600237520168500243100002201928700001501950700001801965700002301983700001502006700001802021700001602039856012002055       2018                        eng d  a2045-232200aPreparation of colourless phosphate glass by stabilising higher Fe[II] in microwave heating0 aPreparation of colourless phosphate glass by stabilising higher   cAPR  a61950 v83 a<p>Iron impurity in raw material remains a major challenge in producing colourless glass. In this investigation, we report microwave (MW) heating capable of altering Fe-redox ratio (Fe2+/Sigma Fe) enabling preparation of colourless phosphate glass. The effect of Sn concentration in retention of Fe[II] in glass melted in MW was compared with conventional glasses. Colourimetric study developing Fe2+-ferrozine colour complex reveals Fe-redox ratio &gt;= 0.49 required to obtain colourless phosphate glass. In microwave heating, addition of 1 wt.% Sn metal powder can impart the desired effect whereas addition of 1.9 wt.% Sn metal powder is required in conventional heating. The correlation equation of Fe-redox ratio with concentration of Sn metal is found to be different in microwave and conventional heating. Thus, exploiting this different redox changes in MW heating optical properties can be tailored. Preservation of higher Fe[II] in MW melted glass is also confirmed by XPS and TGA. P-31 MAS NMR spectra suggest that transition from cross linked ultra phosphate to linear polymer metaphosphate network in incorporation of Sn is found different in glass prepared adopting microwave irradiation. (27)A1 MAS NMR spectra suggest higher relative content of Al6+ in glass obtained from MW heating. Energy consumption analysis revels 3.4 kWh in MW heating while 14 kWh in conventional glass melting using resistance heating. Further, glass melting in MW can be completed within 2 h unlike similar to 5 h needed in conventional. MW heating plays a significant role in improving properties to make colourless phosphate glass in addition to significant energy and time saving.</p>1 aMandal, Ashis, K.1 aMandal, B.1 aIllath, Kavya1 aAjithkumar, T., G.1 aHalder, A.1 aSinha, P., K.1 aSen, Ranjan  uhttps://library.ncl.res.in/content/preparation-colourless-phosphate-glass-stabilising-higher-feii-microwave-heating03039nas a2200205   4500008004100000022001300041245012800054210006900182300001600251490000600267520228200273100002302555700002302578700001802601700002702619700002302646700002002669700001802689856012602707       2018                        eng d  a2046206900aStructural elucidation of NASICON (Na3Al2P3O12) based glass electrolyte materials: effective influence of boron and gallium0 aStructural elucidation of NASICON Na3Al2P3O12 based glass electr  a14422-144330 v83 a<p>Understanding the conductivity variations induced by compositional changes in sodium super ionic conducting (NASICON) glass materials is highly relevant for applications such as solid electrolytes for sodium (Na) ion batteries. In the research reported in this paper, NASICON-based NCAP glass (Na2.8Ca0.1Al2P3O12) was selected as the parent glass. The present study demonstrates the changes in the Na+ ion conductivity of NCAP bulk glass with the substitution of boron (NCABP: Na2.8Ca0.1Al2B0.5P2.7O12) and gallium (NCAGP: Na2.8Ca0.1Al2Ga0.5P2.7O12) for phosphorus and the resulting structural variations found in the glass network. For a detailed structural analysis of NCAP, NCABP and NCAGP glasses, micro-Raman and magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopic techniques (for 31P, 27Al, 23Na, 11B and 71Ga nuclei) were used. The Raman spectrum revealed that the NCAP glass structure is more analogous to the AlPO4 mesoporous glass structure. The 31P MAS-NMR spectrum illustrated that the NCAP glass structure consists of a high concentration of Q0 (3Al) units, followed by Q0 (2Al) units. The 27Al MAS-NMR spectrum indicates that alumina exists at five different sites, which include AlO4 units surrounded by AlO6 units, Al(OP)4, Al(OP)5, Al(OAl)6 and Al(OP)6, in the NCAP glass structure. The 31P, 27Al and 11B MAS-NMR spectra of the NCABP glass revealed the absence of B–O–Al linkages and the presence of B3–O–B4–O–P4 linkages which further leads to the formation of borate and borophosphate domains. The 71Ga MAS-NMR spectrum suggests that gallium cations in the NCAGP glass compete with the alumina cations and occupy four (GaO4), five (GaO5) and six (GaO6) coordinated sites. The Raman spectrum of NCAGP glass indicates that sodium cations have also been substituted by gallium cations in the NCAP glass structure. From impedance analysis, the dc conductivity of the NCAP glass (∼3.13 × 10−8 S cm−1) is slightly decreased with the substitution of gallium (∼2.27 × 10−8 S cm−1) but considerably decreased with the substitution of boron (∼1.46 × 10−8 S cm−1). The variation in the conductivity values are described based on the structural changes of NCAP glass with the substitution of gallium and boron.</p>1 aAllu, Amarnath, R.1 aBalaji, Sathravada1 aIllath, Kavya1 aHareendran, Chaithanya1 aAjithkumar, T., G.1 aBiswas, Kaushik1 aAnnapurna, K.  uhttps://library.ncl.res.in/content/structural-elucidation-nasicon-na3al2p3o12-based-glass-electrolyte-materials-effective02394nas a2200145   4500008004100000245014300041210006900184260000800253490000800261520180200269100001502071700002302086700001602109856012302125       2019                        eng d00aRaman and Na-23 solid-state NMR studies on the lead-free ferroelectrics Bi-0.5(Na1-xKx)(0.5)TiO3 in the morphotropic phase boundary region0 aRaman and Na23 solidstate NMR studies on the leadfree ferroelect  cOCT0 v1183 a<p><span class="hitHilite">The</span> local structural changes, due to <span class="hitHilite">the</span> substitution <span class="hitHilite">of</span> <span class="hitHilite">the</span> smaller Na+ <span class="hitHilite">by</span> <span class="hitHilite">the</span> larger K+ ion, <span class="hitHilite">in</span> <span class="hitHilite">the</span> lead-free piezoelectric ceramic compositions Bi-0.5(Na1-xKx)(0.5)TiO3 have been studied using Raman and Na-23 solid-state NMR spectroscopy. Different close compositions <span class="hitHilite">in</span> <span class="hitHilite">the</span> solid solution series Bi-0.5(Na1-xKx)(0.5)TiO3 (0 &lt;= x &lt;= 0.36, Delta x = 0.02) are studied <span class="hitHilite">in</span> <span class="hitHilite">the</span> morphotropic phase boundary (MPB) region arising <span class="hitHilite">from</span> <span class="hitHilite">the</span> different crystal structures <span class="hitHilite">of</span> <span class="hitHilite">the</span> end members Bi0.5Na0.5TiO3 and Bi0.5K0.5TiO3. Close correlations between <span class="hitHilite">the</span> Raman and NMR parameters with <span class="hitHilite">the</span> performance parameters <span class="hitHilite">of</span> <span class="hitHilite">the</span> system have been observed, suggesting <span class="hitHilite">the</span> role <span class="hitHilite">of</span> <span class="hitHilite">the</span> local structural changes <span class="hitHilite">in</span> determining these parameters. Raman and Na-23 NMR studies showed that <span class="hitHilite">the</span> onset <span class="hitHilite">of</span> <span class="hitHilite">the</span> MPB region is at x = 0.16 and <span class="hitHilite">the</span> MPB region corresponds to 0.16 &lt;= x &lt;= 0.24 where better performance parameters are observed.</p>
1 aAnjali, K.1 aAjithkumar, T., G.1 aJoy, P., A.  uhttps://library.ncl.res.in/content/raman-and-na-23-solid-state-nmr-studies-lead-free-ferroelectrics-bi-05na1-xkx05tio302471nas a2200205   4500008004100000022001400041245014900055210006900204260000800273300001400281490000800295520173100303100001802034700001302052700001402065700001802079700002302097700001702120856012802137       2020                        eng d  a1932-744700aDynamics in amine-functionalized mesoporous hybrid materials probed through deuterium magic angle spinning NMR and molecular dynamic simulations0 aDynamics in aminefunctionalized mesoporous hybrid materials prob  cMAR  a6154-61700 v1243 a<p>We present a deuterium magic angle spinning (MAS) NMR study on two widely used hybrid materials (3-glycidyloxy propyl)trimethoxysilane (3-GPTMS) and 3-(trimethoxysilyl)propyl methacrylate (3-MATMS) grafted on SBA-15. Methylene-deuterated diamine as a pendent group is anchored to GPTMS (O3Si-CH2-CH2-CH2-O-CH2-CH(OH)- CH2-NH-CD2-CD2-NH2) and MATMS (O3Si-CH2-CH2-CH2-O-C(N-CD2-CD2-NH2)-C(CH3)=-CH2) postgrafting. Proton and deuterium solid state NMR experiments under MAS were performed at two hydration levels and temperatures ranging from 253 to 315 K. Deuterium spectra were deconvoluted into three A Dr, components with different average quadrupolar parameters: a relatively rigid component arising from local or librational motion of C-H-2(2) corresponding to ``small angle'' jumps, an intermediate dynamic component, and a large amplitude dynamic component. Population ratios of rigid versus dynamic components show that diamine-MATMS is more rigid when compared with diamine-GPTMS at high hydration. The role of the length of the linkers, steric hindrance, grafting concentration, etc. in defining mobility is investigated. Finally, by correlating proton and deuterium MAS NMR spectral analysis, the role of a few water molecules in inducing dynamics of the linkers was investigated. Molecular dynamic (MD) simulations support the experimental analysis. MD simulations indicate different types of mobility arising from the same molecular binding configuration of diamine-MATMS. Dynamics induced by a few hydroxyls on the pore surface accessible to the linker, various molecular conformations, and stabilization of the linker through hydrogen bonding with the surface, derived from MD simulations, are discussed.</p>
1 aVeena, V., S.1 aKavya, I1 aLazar, A.1 aVinod, C., P.1 aAjithkumar, T., G.1 aJayanthi, S.  uhttps://library.ncl.res.in/content/dynamics-amine-functionalized-mesoporous-hybrid-materials-probed-through-deuterium-magic16135nas 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<p><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol%) given by (53.86) SiO</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;– (22.65) Na</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">O – (21.77-x) CaO – (1.72) P</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">O</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">5</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;– x CaF</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">, where, x&nbsp;=&nbsp;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 (</span><em style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">Q</em><span style="font-size: 13.5px; line-height: 0; position: relative; top: -0.5em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;"><em>0</em></span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;"><em>P</em></span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">) or bridged with silicates in the form of pyrophosphate (</span><em style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">Q</em><span style="font-size: 13.5px; line-height: 0; position: relative; top: -0.5em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;"><em>1</em></span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;"><em>P</em></span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">) units forming Si–O–P bonds. The gradual substitution of CaF</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;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</span><span style="font-size: 13.5px; line-height: 0; position: relative; top: -0.5em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">+</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;cations leading to a decrease in the association of Na</span><span style="font-size: 13.5px; line-height: 0; position: relative; top: -0.5em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">+</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;ions with orthophosphate and silicate units. These overall structural findings were correlated with the&nbsp;</span><em style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">in&nbsp;vitro</em><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their&nbsp;</span><em style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">in&nbsp;vitro</em><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;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&nbsp;mg/ml) in&nbsp;</span><em style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">E.coli</em><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;bacterial inoculum in which bactericidal action was evidenced.</span></p>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-glass02872nas a2200253   4500008004100000022001400041245010000055210006900155260000800224300001400232490000600246520202700252653002002279653002002299653001402319653003002333653001602363100002802379700001502407700001902422700002302441700002402464856013002488       2020                        eng d  a2574-097000aFeNx/FeSx-anchored carbon sheet-carbon nanotube composite electrocatalysts for oxygen reduction0 aFeNxFeSxanchored carbon sheetcarbon nanotube composite electroca  cMAR  a2234-22450 v33 a<p>Even though various Pt-free electrocatalysts for oxygen reduction reaction (ORR) have been introduced, many of them are found to be active only in alkaline conditions. Considering Nafion, phosphoric acid-doped polybenzimidazole (PBI), and so on as the prominent ionomer membranes, used in the commercially available polymer electrolyte membrane fuel cells (PEMFCs), it becomes important that any development on the Pt-free catalysts should ensure the better ORR performance under acidic conditions. The present work effectively tackles this issue, where an ORR-based catalyst could be prepared with simultaneous incorporation of both Fe-N and Fe-S active sites on in situ generated carbon sheets which are spatially separated by the carbon nanotube (CNT) network. This catalyst shows ability to perform under both acidic and basic conditions. This has been achieved by growing a polyethylenedioxythiophene polymer network in the presence of CNT and melamine followed by its pyrolysis under an inert atmosphere. The catalyst formed at 900 degrees C (PMCNT-900) displays 0.94 V onset potential for ORR under acidic electrolyte conditions, which corresponds to 60 mV overpotential compared to its 40 wt % Pt/C counterpart. Interestingly, in single cell demonstration of Nafion-based PEMFC with PMCNT-900 as the cathode catalyst, the system delivered a maximum power density (PD) of 500 and 275 mW/cm(2) at 60 degrees C under H-2-O-2 and H-2-air feed conditions, respectively. On the other hand, in a single cell test in the anion exchange membrane fuel cell (AEMFC) mode, a maximum power density of 65 mW/cm(2) at 50 degrees C could be achieved with the same cathode catalyst, which is a comparable value obtained while employing Pt/C as the cathode. These results, thus, infer to the efficiency of the catalyst to facilitate ORR under the extreme pH conditions, and particularly its performance under acidic condition reveals its prospect as a potential Pt-free electrocatalyst to serve in the Nafion-based systems.</p>
10acarbon nanotube10aelectrocatalyst10afuel cell10aoxygen reduction reaction10aPt-free ORR1 aBhange, Siddheshwar, N.1 aSoni, Roby1 aSingla, Gourav1 aAjithkumar, T., G.1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/fenxfesx-anchored-carbon-sheet-carbon-nanotube-composite-electrocatalysts-oxygen-reduction01655nas a2200277   4500008004100000022001400041245015600055210006900211260000900280300001400289490000600303520071700309653001901026653000901045653001101054653002401065653001801089653001901107653002001126100002301146700002001169700002301189700001501212700002401227856012601251       2020                        eng d  a2574-096200aPhotocatalytic hydrogen generation and CO2 conversion using g-C3N4 decorated dendritic fibrous nanosilica: role of interfaces between silica and g-C3N40 aPhotocatalytic hydrogen generation and CO2 conversion using gC3N  cSEP   a8150-81580 v33 a<p>We have synthesized g-C3N4 decorated over dendritic fibrous nanosilica (DFNS). The generation of C-N-Si interfaces by coating each fiber of DFNS with g-C3N4 not only provided high surface area but also affected the optical and electronic properties of the composite. The catalyst synthesis reproducibility issue of g-C3N4 was resolved using a vacuum-sealed quartz tube. The extended light absorption in the visible region, enhanced lifetime of photogenerated charge carriers due to the formation of interfaces between silica and g-C3N4 (confirmed by solid-state NMR), and increased surface area result in the improved photocatalytic activity of DFNS/g-C(3)N(4)for hydrogen generation and CO2 conversion.</p>
10aCO2 conversion10aDFNS10ag-C3N410aHydrogen generation10ananocatalysts10aphotocatalysts10aSolid-state NMR1 aRawool, Sushma, A.1 aSamanta, Anupam1 aAjithkumar, T., G.1 aKar, Yusuf1 aPolshettiwar, Vivek  uhttps://library.ncl.res.in/content/photocatalytic-hydrogen-generation-and-co2-conversion-using-g-c3n4-decorated-dendritic00890nas 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-glass02511nas a2200253   4500008004100000022001400041245014300055210006900198260000900267300001100276490000800287520162800295653003201923653001201955653002801967653002001995100001602015700002302031700001802054700002302072700001302095700001702108856013202125       2021                        eng d  a0022-309300aSynthesis and characterization of LAGP-glass-ceramics-based composite solid polymer electrolyte for solid-state Li-ion battery application0 aSynthesis and characterization of LAGPglassceramicsbased composi  cAPR   a1206540 v5583 a<p>Solid State Electrolytes (SSEs) are the future alternatives of the present conventional liquid electrolytes in terms of safety, high temperature stability and also good electrochemical performance. Glass (G), based on Lithium Aluminium Germanium Phosphate (LAGP) was prepared and converted into glass-ceramics (GC) by optimized heating schedule. The crystalline LAGP has Na Super Ionic CONductor (NASICON) type unit cell where the lithium ions hop between two different positions providing long range ionic motion. To improve the inter electrode surface resistance and cell performance, Composite Solid Electrolyte (CSE) was prepared with poly (vinylidene fluoride-co-hexaflurophoaphate) (P(VDF-HFP)), 20wt% LAGP, Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and 1-Ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)-imide (EMITFSI). X-ray diffraction patterns confirm the formation of the NASICON phase in LAGP GC and the amorphous nature of the CSE. NMR studies confirm formation of the Ge/AlO6 octahedra and PO4 tetrahedra inside the crystal. 7Li NMR also confirmed two different Lithium sites in LAGP crystal. The ionic conductivity values of CSE and LAGP GC are (4.49 +/- 0.31) x 10(-3)Scm(-1) and (2.70 +/- 0.04) x 10(-4)Scm(-1), respectively. The thermal stability of the prepared CSE is tested upto 315 degrees C without any degradation. Two cells (Cell-I &amp; Cell-II) were fabricated using the LAGP GC and CSE respectively. Cell-II shows the specific discharge capacity of 151mAhg1 at 50th cycle which is higher as compared to Cell-I (129mAhg(-1)) when tested at the C-rate of 0.05 degrees C.</p>
10aLithium germanium phosphate10aNASICON10aSolid state electrolyte10aSolid state NMR1 aDas, Anurup1 aGoswami, Madhumita1 aIllath, Kavya1 aAjithkumar, T., G.1 aArya, A.1 aKrishnan, M.  uhttps://library.ncl.res.in/content/synthesis-and-characterization-lagp-glass-ceramics-based-composite-solid-polymer-electrolyte02462nas 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<p>
	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.</p>
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-lumefantrine02073nas a2200181   4500008004100000022001400041245013100055210006900186260000900255300001600264490000700280520138700287100001801674700002301692700002201715700002301737856013101760       2023                        eng d  a1463-907600aInvestigation of Al2O3 induced variations in the structural parameters in strontium borosilicate glasses using solid state NMR0 aInvestigation of Al2O3 induced variations in the structural para  cMAY   a13550-135590 v253 a<p>
	The physical properties of oxide glasses are crucially dependent on the atomistic structural speciation. In this study, we investigate the variation in the local ordering in the glass network of strontium borosilicate glasses (34.82 SrO, 51.84 B2O3, 13.34 SiO2 in mol%) with a progressive substitution of B2O3 by Al2O3 and estimate the structural parameters: the oxygen packing fraction, and the average network coordination number. The coordination of the network forming cations at various glass compositions is determined using B-11, Al-27, and Si-29 solid-state nuclear magnetic resonance (SSNMR). The SSNMR reveals that at the higher substitution of B2O3 by Al2O3 in the glass composition, the coordination network of Al3+ exists predominantly in the 4 coordinated state, the network forming B3+ cations transform from a tetrahedral BO4 to a trigonal BO3 structure, and the Q(4) form of silicates is dominant. The average coordination number and the oxygen packing fraction were calculated using the parameters obtained from the SSNMR results, and it is observed that the average coordination number decreases, and the oxygen packing fraction increases on incorporating Al. It is interesting to note that some of the thermophysical properties of these compositions closely follow the pattern shown by the average coordination number and the oxygen packing fraction.</p>
1 aIllath, Kavya1 aOjha, Prasanta, K.1 aRath, Sangram, K.1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/investigation-al2o3-induced-variations-structural-parameters-strontium-borosilicate-glasses02082nas a2200325   4500008004100000022001400041245009900055210006900154260000900223300001100232490000800243520103500251653002701286653001601313653001501329653001401344100002701358700001801385700002501403700001701428700002901445700001801474700002001492700002301512700001701535700001901552700003701571700002001608856012801628       2023                        eng d  a0959-652600aNanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization0 aNanosilica from Averrhoa bilimbi juice pretreated rice husk prep  cAUG   a1374760 v4133 a<p>
	The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.</p>
10aAverrhoa bilimbi juice10aBioleaching10aNanosilica10arice husk1 aDominic, C., D. Midhun1 aNeenu, K., V.1 aBegum, P., M. Sabura1 aJoseph, Rani1 aRosa, Derval, dos Santos1 aDuan, Yongxin1 aBalan, Aiswarya1 aAjithkumar, T., G.1 aSoumya, Mary1 aShelke, Ankita1 aParameswaranpillai, Jyotishkumar1 aBadawi, Michael  uhttps://library.ncl.res.in/content/nanosilica-averrhoa-bilimbi-juice-pre-treated-rice-husk-preparation-and-characterization02532nas a2200337   4500008004100000022001400041245012300055210006900178260000800247300001600255490000700271520139300278653002001671653002501691653003001716653002301746100002701769700001801796700001801814700002101832700002901853700002501882700001901907700002301926700003701949700002701986700001802013700001802031700002002049856012502069       2024                        eng d  a2190-681500aColocasia esculenta stems for the isolation of cellulose nanofibers: a chlorine-free method for the biomass conversion0 aColocasia esculenta stems for the isolation of cellulose nanofib  cMAY  a10305-103180 v143 a<p>
	The reuse of waste products is the green key to sustainability. The extraction of cellulose nanofibers from Colocasia esculenta stems is presented in the paper. The study proved that the waste biomass could be effectively re-engineered into highly valued cellulose nanofibers (CNFs). Cellulose nanofibers were extracted via a chemo-mechanical route. The pre-treatments included mild alkali hydrolysis (2% NaOH) and chlorine-free bleaching (peroxide bleaching in an alkaline medium). Cellulose I-beta structure was confirmed using C-13 solid-state nuclear magnetic resonance spectroscopy and X-ray diffraction analysis. The elemental analysis of CNFs detected the elements, carbon and oxygen. The CNFs had a crystallinity and transmittance of 71.72% and 60%, respectively. Microscopic studies verified the elimination of non-cellulosic components and the fibrous nature of CNFs. Moreover, the fiber diameter of CNFs was 20-40 nm. Thermal analysis revealed good thermal stability of 335.8 degrees C (T-50) for nanofibers. Long-term aids are numerous in eco-friendly technology. Developing an eco-design will support zero waste ideals, lowers carbon dioxide emissions, and encourages a circular economy. Owing to the merits of natural fibers, they can be adopted in various sectors including packaging, automobile, aerospace, electronics, biomedical, construction, and furniture.</p>
10aacid hydrolysis10acellulose nanofibers10aColocasia esculenta stems10aHigh crystallinity1 aDominic, C., D. Midhun1 aMaheswary, S.1 aNeenu, V., K.1 aSajadi, Mohammad1 aRosa, Derval, dos Santos1 aBegum, P., M. Sabura1 aMathew, Mariya1 aAjithkumar, T., G.1 aParameswaranpillai, Jyotishkumar1 aGeorge, Tresa, Sunitha1 aResmi, V., C.1 aIlyas, R., A.1 aBadawi, Michael  uhttps://library.ncl.res.in/content/colocasia-esculenta-stems-isolation-cellulose-nanofibers-chlorine-free-method-biomass02741nas 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<p>
	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.</p>
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-sustainable02819nas a2200241   4500008004100000022001400041245009100055210006900146260000900215300001400224490000700238520200900245653002302254653003102277653002302308653001702331653002002348100002702368700002202395700002002417700002302437856011702460       2024                        eng d  a1543-838400aIn situ monitoring of competitive coformer exchange reaction by 1H MAS solid-state NMR0 aIn situ monitoring of competitive coformer exchange reaction by   cFEB   a1479-14890 v213 a<p>
	In a competitive coformer exchange reaction, a recent topic of interest in pharmaceutical research, the coformer in a pharmaceutical cocrystal is exchanged with another coformer that is expected to form a cocrystal that is more stable. There will be a competition between coformers to form the most stable product through the formation of hydrogen bonds. This will cause destabilization of the pharmaceutical products during processing or storage. Therefore, it is important to develop a mechanistic understanding of this transformation by monitoring each and every step of the reaction, employing a technique such as H-1 nuclear magnetic resonance (NMR). In this study, an in situ monitoring of a coformer exchange reaction is carried out by H-1 magic angle spinning (MAS) solid-state NMR (SSNMR) at a spinning frequency of 60 kHz. The changes in caffeine maleic acid cocrystals on addition of glutaric acid and caffeine glutaric cocrystals on addition of maleic acid were monitored. In all of the reactions, it has been observed that caffeine glutaric acid Form I is formed. When glutaric acid was added to 2:1 caffeine maleic acid, the formation of metastable 1:1 caffeine glutaric acid Form I was observed at the start of the experiment, indicating that the centrifugal pressure is enough for the formation. The difference in the end product of the reactions with a similar reaction pathway of 1:1 and 2:1 reactant stoichiometry indicates that a complete replacement of maleic acid has occurred only in the 1:1 stoichiometry of the reactants. The polymorphic transition of caffeine glutaric acid Form II to Form I at higher temperatures was a crucial reason that triggered the exchange of glutaric acid with maleic acid in the reaction of caffeine glutaric acid and maleic acid. Our results are novel since the new reaction pathways in competitive coformer exchange reactions enabled understanding the remarkable role of stoichiometry, polymorphism, temperature, and centrifugal pressure.</p>
10acaffeine cocrystal10acoformer exchange reaction10ain situ monitoring10apolymorphism10aSolid-state NMR1 aHareendran, Chaithanya1 aAlsirawan, Bashir1 aParadkar, Anant1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/situ-monitoring-competitive-coformer-exchange-reaction-1h-mas-solid-state-nmr02106nas a2200229   4500008004100000022001400041245008600055210006900141260000900210300001400219490000700233520136100240653001601601653001701617653002701634653001901661653001501680100002701695700002601722700002301748856010501771       2024                        eng d  a1543-838400aInsights into the structure of sucralfate by advanced solid- and liquid-state NMR0 aInsights into the structure of sucralfate by advanced solid and   cFEB   a1390-14010 v213 a<p>
	Sucralfate, which is a sucrose octasulfate aluminum complex, is an active pharmaceutical ingredient (API) falling in the category of cytoprotective agents which are very effective for gastric and duodenal ulcers. On interaction with stomach acid, it ionizes into aluminum and sucrose octasulfate ions to form a protective layer over the ulcerated region inhibiting further attack from acid. The mechanism of action of sucralfate in the context of its structure is not well understood. Considering that at least two forms of this API are available in the market, there are no reports on the various forms of sucralfate and differences in their pharmacological action. We characterized the two forms of sucralfate using multinuclear, multidimensional solid-state NMR, and the results show significant structural differences between them arising from variation in the aluminum environment and the level of hydration. The impact of structural differences on pharmacological action was examined by studying acid-induced Al release by Al-27 liquid-state NMR. The sucralfate, European pharmaceutical standard, Form I, undergoes faster disruption in acid compared to Form II. The difference is explained on the basis of structural differences in the two forms which gives significant insights into the action of sucralfate in relation to its structure.</p>
10a(27)AlMQMAS10aH-1-H-1 DQSQ10apharmacological action10asolid-stateNMR10asucralfate1 aHareendran, Chaithanya1 aRavindranathan, Sapna1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/insights-structure-sucralfate-advanced-solid-and-liquid-state-nmr01272nas a2200181   4500008004100000022001400041245007600055210006900131260000900200300001400209490000700223520066100230100002700891700002500918700002000943700002300963856010400986       2024                        eng d  a1463-907600aSolid-state NMR method for characterization of pharmaceutical eutectics0 aSolidstate NMR method for characterization of pharmaceutical eut  cJAN   a3800-38030 v263 a<p>
	Pharmaceutical eutectics are extremely useful for designing formulations, and currently, there are no techniques other than differential scanning calorimetry (DSC) that can confirm their formation. In this study, we demonstrate that 1H fast magic angle spinning (MAS) solid-state NMR (SSNMR) experiments can confirm the formation of eutectics by detecting their intermolecular hydrogen bonding interactions. 2D 1H-1H double quantum single quantum (DQSQ) correlation SSNMR experiment is demonstrated which can confirm the formation of pharmaceutical eutectics for which there are no techniques other than differential scanning calorimetry (DSC).</p>
1 aHareendran, Chaithanya1 aShaligram, Parth, S.1 aGonnade, Rajesh1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/solid-state-nmr-method-characterization-pharmaceutical-eutectics02340nas 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<p>
	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.</p>
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-psittacorum03364nas a2200241   4500008004100000245018600041210006900227260000800296300001400304490000700318520242800325100002002753700001802773700003702791700002302828700002702851700002502878700002102903700002702924700002002951700002002971856013102991       2025                        eng d00aGreen engineering of cellulose nanofibers and nanopapers from Wodyetia bifurcata fruits: a sustainable approach with emphasis on process optimization and tensile property assessment0 aGreen engineering of cellulose nanofibers and nanopapers from Wo  cMAY  a9321-93350 v153 a<p>
	<span style="font-family: Merriweather, serif; font-size: 18px;">Nanocellulose emerges as a highly promising material with versatile applications, offering solutions to environmental and sustainability challenges. This study delves into the extraction of cellulose nanofibers (CNFs) from&nbsp;</span><i style="box-sizing: inherit; font-family: Merriweather, serif; font-size: 18px;">Wodyetia bifurcata</i><span style="font-family: Merriweather, serif; font-size: 18px;">&nbsp;fruit pulp through mild oxalic acid hydrolysis assisted by steam explosion. To ensure environmental compatibility, chlorine-free pre-treatments were applied to eliminate non-cellulosic components. Chemical composition analysis verified the effective removal of non-cellulosic elements, validated by Fourier transform infrared spectroscopy (FTIR). Solid-state&nbsp;</span><sup style="box-sizing: inherit; font-family: Merriweather, serif;">13</sup><span style="font-family: Merriweather, serif; font-size: 18px;">C nuclear magnetic resonance (</span><sup style="box-sizing: inherit; font-family: Merriweather, serif;">13</sup><span style="font-family: Merriweather, serif; font-size: 18px;">C NMR) spectroscopy confirmed the presence of type I cellulose α-polymorph in the CNF, while a crystallinity index of 60% was determined by X-ray diffraction analysis (XRD). The transmission electron microscopy (TEM)&nbsp;images revealed a fibrous morphology with a fiber diameter ranging from 9 to 36&nbsp;nm. Dynamic light scattering (DLS) was employed to corroborate the observed fiber diameter. Mild acid hydrolysis elevated the maximum degradation temperature (</span><i style="box-sizing: inherit; font-family: Merriweather, serif; font-size: 18px;">T</i><span style="box-sizing: inherit; bottom: -0.25em; font-size: 13.5px; line-height: 0; position: relative; vertical-align: baseline; font-family: Merriweather, serif;">max</span><span style="font-family: Merriweather, serif; font-size: 18px;">) of CNF to 39&nbsp;°C compared to the pristine sample. Furthermore, this research explores the application of CNFs in nanopaper development using a casting method. The resulting nanopapers exhibited a tensile strength of ~ 17&nbsp;MPa and a transmittance of 25%. These nanopapers present a viable pathway toward eco-friendly products in various industries, promising to revolutionize upcoming sustainable packaging technologies.</span></p>
1 aSankar, Sameera1 aNeenu, K., V.1 aParameswaranpillai, Jyotishkumar1 aAjithkumar, T., G.1 aShelke, Ankita, Ramesh1 aBegum, P., M. Sabura1 aBipinbal, P., K.1 aGeorge, Tresa, Sunitha1 aBadawi, Michael1 aDominic, Midhun  uhttps://library.ncl.res.in/content/green-engineering-cellulose-nanofibers-and-nanopapers-wodyetia-bifurcata-fruits-sustainable01871nas a2200241   4500008004100000022001400041245012500055210006900180260000800249300001400257490000800271520104600279100001801325700002901343700001701372700001901389700001601408700002101424700001801445700001601463700002301479856012701502       2025                        eng d  a1520-610600aInsights into the Chemical Durability and Structure of ZnO-Incorporated Sodium Borosilicate Glasses from Solid-State NMR0 aInsights into the Chemical Durability and Structure of ZnOIncorp  cJUL  a7349-73600 v1293 a<p>
	ZnO-incorporated NBS glasses have been studied for their application as a matrix for nuclear waste immobilization. However, structural factors affecting chemical durability have not been established. In this study, the structural changes in NBSZn glasses across various Na2O/(B2O3 + ZnO) ratios are explored using multinuclear MAS, MQMAS NMR, and EXAFS techniques. The Na MAS and MQMAS studies reveal remarkable changes in the Na environment after ZnO incorporation, which leads to an increase in chemical durability. Based on the results from NMR and EXAFS, we rationalized the structure of this glass in terms of the modified random network (MRN) model. The glass network comprises a highly polymerized region and alkali percolation channels bordered by nonbridging oxygens from the depolymerized regions. The constriction of these percolation channels increases the chemical durability of the glass. Our findings will help in the advancement of Zn-containing NBS glasses as a promising matrix for nuclear waste immobilization.</p>
1 aIllath, Kavya1 aAnanthanarayanan, Arvind1 aBanerjee, D.1 aMishra, R., K.1 aKumar, Ravi1 aBhattacharya, D.1 aKumar, Sanjay1 aManohar, S.1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/insights-chemical-durability-and-structure-zno-incorporated-sodium-borosilicate-glasses02769nas a2200325   4500008004100000022001400041245011600055210006900171260000800240300001100248490000800259520172100267653001701988653002202005653001902027653001802046653001702064653001902081100002202100700002202122700002302144700002002167700002502187700002702212700001802239700001902257700001902276700001902295856012902314       2025                        eng d  a0008-622300aIonic liquid driven Refined functionalization of graphene oxide: An insight via combined experiments and theory0 aIonic liquid driven Refined functionalization of graphene oxide   cAUG  a1205710 v2433 a<p>
	Functionalizing graphene and its derivative, or doping them with heteroatoms can significantly enhance their optoelectronic, photonic and bio-photonic properties; but controlled and tuneable functionalization of GO is still in their infancy. Herein, a series of functionalized graphene oxide (FGO) are synthesized solvothermally by using task specific ionic liquids (ILs) of varying alkyl chain length; 1-alkyl-3-methylimidazolium tetra fluoroborate, [Cnmim]BF4 (n = 2, 4 etc.). ILs are not only used as a solvent but also as source of fluoride ion for functionalization of GO. A drastic decrease in the oxygen containing functional groups of GO upon fluorination is evidenced by FTIR, Raman, XPS, EDX analysis and electrochemical study. Solid state 19F NMR spectroscopy indicates that, fluorination happens exclusively in edge positions, not on basal planes. Band gap of FGOs decreases along with increasing the chain length of ILs. Further, intense blue emission and high photocatalytic efficiency, using crystal violet as model dye are observed for all the FGOs under visible light. The tailored functionalization by varying alkyl chain length of IL has been rationalized by DFT calculations. It has been realized that owing to the ease of dissociation for [Cnmim]BF4 complexes with n &gt;= 10; greater extent of fluorination/functionalization of GO has been observed. Elimination of a non-covalent interaction on increasing the alkyl chain length has been attributed for lower stability of higher chain length IL which in turn renders ease of dissociation. Easy yet controlled functionalization of GO using tuneable ILs can open a new direction in the environment friendly synthesis and applications.</p>
10afluorination10aFunctionalization10agraphene oxide10aionic liquids10aLuminescence10aPhotocatalysis1 aKewat, Heera, Lal1 aDutta, Debangkana1 aAjithkumar, T., G.1 aChavda, Dhruvil1 aSharma, Rahul, Kumar1 aTiwari, Mrityunjay, K.1 aSidiqi, Ubaid1 aManna, Moutusi1 aNigam, Sandeep1 aGhosh, Pushpal  uhttps://library.ncl.res.in/content/ionic-liquid-driven-refined-functionalization-graphene-oxide-insight-combined-experiments01833nas a2200217   4500008004100000022001400041245012700055210006900182260000900251300001400260490000700274520106100281653000901342653002001351653002701371653001601398653002001414100002701434700002301461856013101484       2025                        eng d  a1543-838400aProbing the effect of fluorine on hydrogen bonding interactions in a pharmaceutical hydrate using Advanced Solid-State NMR0 aProbing the effect of fluorine on hydrogen bonding interactions   cMAR   a1869-18800 v223 a<p>
	Structural studies of pharmaceutical hydrates are essential to understanding stability-related issues, especially during the heating process of formulation. A thorough understanding of the hydration and dehydration behavior of active pharmaceutical ingredient (API) hydrate is also important since phase transitions can occur during the formulation process. This is because dehydration could result in a considerable rearrangement in the structure if water-API hydrogen bonding is present. We perform advanced solid-state NMR experiments on regorafenib monohydrate to investigate the role of fluorine in hydrogen bonding interaction, and the results are compared to its anhydrous form and its structural analogue, namely, sorafenib. Our results show that significant structural changes could not be observed on dehydration. Based on our study, it can be concluded that the introduction of fluorine restricts the intramolecular hydrogen bonding and the asymmetry in the structure of regorafenib monohydrate is absent, in comparison to sorafenib.</p>
10aDQSQ10aHydrogenbonding10apharmaceutical hydrate10aregorafenib10aSolid-state NMR1 aHareendran, Chaithanya1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/probing-effect-fluorine-hydrogen-bonding-interactions-pharmaceutical-hydrate-using-advanced02324nas a2200313   4500008004100000022001400041245012000055210006900175260000800244300001600252490000700268520125100275653004201526653001201568653002401580653002801604653002601632653002301658100001401681700001801695700002001713700002001733700001801753700002301771700003701794700002501831700002701856856012701883       2025                        eng d  a2190-681500aSustainable cellulose nanofiber extraction from Borassus flabellifer: a comprehensive study and analytical insights0 aSustainable cellulose nanofiber extraction from Borassus flabell  cSEP  a25359-253730 v153 a<p>
	Cellulose, a biodegradable and renewable material, is versatile and transforms various fields. This work uses a chemo-mechanical method to discuss the extraction and analysis of palmyra (Borassus flabellifer) fruit derived cellulose nanofibers (PFCNF). The mild acid treatment, steam explosion, and homogenization could increase the physico-chemical properties of Borassus flabellifer fiber. The chemical composition and FTIR analysis confirmed the successful elimination of the hemicellulose, lignin, and other extractives in the palmyra fruit pulp. The solid-state 13C NMR proved the cellulose type I structure of the extracted PFCNF. The crystallinity index of PFCNF was found to be 57%. The yield of the cellulose was calculated to be 44%. PFCNF exhibited fibrous morphology with a nanodimension of 10-80 nm, validated using scanning electron microscopy and transmission electron microscopy. With progressive treatments, the thermal stability was increased, and the Tmax of PFCNF was 32 degrees C higher compared to the raw fibers. These superior properties further support their potential in eco-friendly packaging, advanced composites, biomedical materials, film production, electronics, coating materials, and paper production.</p>
10a<italic>Borassus flabellifer</italic>10aBiomass10aCellulose nanofiber10aEco-friendly extraction10aSustainable materials10aWaste valorization1 aSurya, S.1 aSoman, Arathy1 aKrishnan, Akhil1 aSuresh, Parvana1 aNeenu, K., V.1 aAjithkumar, T., G.1 aParameswaranpillai, Jyotishkumar1 aBegum, P., M. Sabura1 aDominic, C., D. Midhun  uhttps://library.ncl.res.in/content/sustainable-cellulose-nanofiber-extraction-borassus-flabellifer-comprehensive-study-and02393nas a2200301   4500008004100000022001400041245014400055210006900199260000800268300001600276490000700292520136200299653001401661653002401675653002001699653002001719100001501739700002301754700001701777700002001794700002301814700001601837700003701853700002201890700002501912700002701937856012701964       2025                        eng d  a2190-681500aSustainable isolation of cellulose nanofibers with superior crystallinity and thermal stability from Terminalia catappa L. fruit peel waste0 aSustainable isolation of cellulose nanofibers with superior crys  cJUL  a21557-215720 v153 a<p>
	Turning agricultural waste into value-added products is a key focus of sustainable development. Herein, cellulose nanofibers (CNF) were extracted from the pericarp of Terminalia catappa L. for the first time. The CNF was extracted by chlorine-free pretreatment methods followed by oxalic acid hydrolysis (5 wt%) assisted with steam explosion. The prepared CNF were characterized by Fourier transform infrared spectroscopy (FTIR), solid-state 13C nuclear magnetic resonance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA and DTG). FTIR analysis confirmed the successful removal of lignin and hemicellulose during chemical treatment which was again validated by solid-state 13C NMR analysis. TEM image revealed that the diameter of the extracted nanofibers ranges from 14 to 18 nm. From XRD analysis, the crystallinity index of the CNF was 82%, while that of the raw sample was 62 %. The temperature at which the maximum degradation (Tmax) of CNF occurred was found to be 372 degrees C which is superior to that of the raw sample (334 degrees C). The extracted cellulose nanofibers were used to prepare cellulose paper, demonstrating a tensile strength of 1.1 MPa, indicating its potential suitability for biodegradable packaging applications.</p>
10acellulose10aCellulose nanofiber10agreen synthesis10aWaste to wealth1 aHarsha, R.1 aMol, A., P. Princy1 aPaul, Sharon1 aBadawi, Michael1 aAjithkumar, T., G.1 aRao, Jeevan1 aParameswaranpillai, Jyotishkumar1 aNair, Ajalesh, B.1 aBegum, P., M. Sabura1 aDominic, C., D. Midhun  uhttps://library.ncl.res.in/content/sustainable-isolation-cellulose-nanofibers-superior-crystallinity-and-thermal-stability02339nas a2200241   4500008004100000245012900041210006900170260000800239300001600247490000700263520145600270100001901726700001801745700002501763700003001788700002001818700002501838700002301863700002301886700003701909700002701946856012401973       2025                        eng d00aValorization of avocado peel waste: extraction and characterization of cellulose nanofibers for multifunctional applications0 aValorization of avocado peel waste extraction and characterizati  cAPR  a12789-128000 v153 a<p>
	<span style="font-family: Merriweather, serif; font-size: 18px;">This study explored the utility of underutilized avocado peels for extracting cellulose nanofibers (CNFs). Mild oxalic acid hydrolysis assisted by steam explosion was employed after alkali hydrolysis and chlorine-free bleaching to prepare cellulose nanofibers. The structural, atomic, and elemental features of the extracted fibers were studied using Fourier transform infrared spectroscopy (FTIR),&nbsp;</span><sup style="box-sizing: inherit; font-family: Merriweather, serif;">13</sup><span style="font-family: Merriweather, serif; font-size: 18px;">C solid-state nuclear magnetic resonance (</span><sup style="box-sizing: inherit; font-family: Merriweather, serif;">13</sup><span style="font-family: Merriweather, serif; font-size: 18px;">C NMR) spectroscopy, and energy dispersive X-ray (EDAX) analysis, respectively. The crystallinity index of the nanofibers was 87%, which was 53% greater than that of the crude sample. The elution of hemicellulose and lignin was evident from the scanning electron microscopy (SEM) images, and the nanofibers had a fiber diameter of 30–82&nbsp;nm according to the transmission electron microscopy (TEM) analysis. The applied chemical treatment also elevated the thermal stability of the fibers. The extracted fibers can be applied in numerous fields, including electronics, packaging, automobiles, biomedicine, and cosmetics.</span></p>
1 aVarsha, P., V.1 aNeenu, K., V.1 aBegum, P., M. Sabura1 aHounfodji, Jean, Wilfried1 aSankar, Sameera1 aMuraleedharan, Sneha1 aKamath, Anjali, N.1 aAjithkumar, T., G.1 aParameswaranpillai, Jyotishkumar1 aMidhun, Dominic, C. D.  uhttps://library.ncl.res.in/content/valorization-avocado-peel-waste-extraction-and-characterization-cellulose-nanofibers02711nas 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<p>
	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 &amp; sup3;&amp; 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.</p>
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-and01929nas a2200337   4500008004100000022001400041245007900055210006900134260000800203300000700211490000700218520093900225653002801164653001201192653001601204653001301220653002001233100001901253700002301272700001901295700001701314700001801331700001701349700001601366700001701382700002101399700001901420700002301439700001601462856011301478       2026                        eng d  a0250-470700aFly-ash-based geopolymers: leachability and solid-state NMR investigations0 aFlyashbased geopolymers leachability and solidstate NMR investig  cMAR  a540 v493 a<p>
	This study aims to explore how leaching impacts the microstructure of a selected fly ash-derived geopolymer and evaluate its potential for near-surface disposal of radioactive waste. The uniqueness of this geopolymer formulation is its ability to form an aluminosilicate network that remains resistant to structural changes upon contact with water. The leach index of base elements such as Ca, Al, Na and Si was between 11 and 13, suggesting that the formulation is superior to Portland cement or conventional hydraulic cement. Solid-state NMR reveals that the water-interacted specimen has no contamination of the zeolite phase and all the Na is incorporated into the aluminosilicate geopolymer gel network, which also confirms that the glassy network of the geopolymer is responsible for imparting low leachability of base elements from its structure, and there is no labile sodium available for exchange as in zeolites.</p>
10aaluminosilicate network10aFly ash10aGeopolymers10aleaching10aSolid-state NMR1 aNadol, Athulya1 aAjithkumar, T., G.1 aSingla, Rashmi1 aAlex, T., C.1 aKumar, Sanjay1 aBhatt, Himal1 aDeo, M., N.1 aSen, Debasis1 aAmbashta, R., D.1 aBajpai, R., K.1 aShivakumar, Y., C.1 aManohar, S.  uhttps://library.ncl.res.in/content/fly-ash-based-geopolymers-leachability-and-solid-state-nmr-investigations02691nas a2200289   4500008004100000022001400041245019800055210006900253260000800322490000700330520153400337653002401871653004501895653003601940653004601976100004002022700002602062700002402088700003302112700001702145700002902162700001702191700002302208700002602231700002402257856012002281       2026                        eng d  a1614-683200aSelf-healing hydrogel electrolyte enabled by dynamic polar covalent and noncovalent interactions for high-performance rechargeable zinc-metal batteries: a leap toward sustainable energy storage0 aSelfhealing hydrogel electrolyte enabled by dynamic polar covale  cJAN0 v163 a<p>
	Hydrogel polymer electrolytes with superior multifunctional properties are promising alternatives to aqueous electrolytes for resolving interfacial issues in rechargeable zinc-metal batteries. In this study, an intrinsic self-healing hydrogel polymer electrolyte (PHBC-4) is synthesized, engineered through an integrated approach involving the polar covalent (B &amp; horbar;O bond), hydrogen-bond (polyvinyl alcohol-hydroxypropyl methylcellulose interface), and coordination-type (Zn &amp; horbar;O) interactions to enable self-healing functionality. The PHBC-4 has demonstrated high ionic conductivity (4.6 x 10-2 S cm-1), good oxidative stability (2.3 V vs Zn|Zn2+), a high cation transference number (0.89), superior tensile strength (0.32 MPa), and an impressive healing efficiency of 93% achieved just within 5 min, confirming its robust self-healing capability. In Zn||Zn symmetric cells, it effectively suppresses dendrite growth, ensuring stable cycling for over 1032 h with an areal capacity of 1.0 mAh cm-2 at a current density of 1.0 mA cm-2. When paired with a Zn-doped MnO cathode in the rechargeable homemade pouch cell, the system delivers a high specific capacity of 160 mAh g-1 at 0.10 A g-1 and cycling stability up to 493 charge-discharge cycles at 2.0 A g-1. The self-healing ability of PHBC-4 HGPE is confirmed in a homemade pouch cell via OCV and charge-discharge tests, demonstrating stable performance. The DFT studies confirm molecular-level interactions within the hydrogel heterostructure.</p>
10adendrite inhibition10aflexible rechargeable zinc metal battery10ahigh cation transference number10aself-healing hydrogel polymer electrolyte1 aPuthiyaveetil, Priyanka, Pandinhare1 aKurian, Rachna, Maria1 aSamudre, Nikhil, S.1 aBalasubramanian, Rajalakshmi1 aTorris, Arun1 aPockil, Fayis, Kanheeram1 aBhat, Suresh1 aAjithkumar, T., G.1 aKrishnamurty, Sailaja1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/self-healing-hydrogel-electrolyte-enabled-dynamic-polar-covalent-and-noncovalent