<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Chakraborty, Sutapa</style></author><author><style face="normal" font="default" size="100%">Purkayastha, Debraj Dhar</style></author><author><style face="normal" font="default" size="100%">Das, Gobinda</style></author><author><style face="normal" font="default" size="100%">Bhattacharjee, Chira R.</style></author><author><style face="normal" font="default" size="100%">Mondal, Paritosh</style></author><author><style face="normal" font="default" size="100%">Prasad, S. Krishna</style></author><author><style face="normal" font="default" size="100%">Rao, D. S. Shankar</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Photoluminescent tetrahedral d(10)-metal Schiff base complexes exhibiting highly ordered mesomorphism</style></title><secondary-title><style face="normal" font="default" size="100%">Polyhedron</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Density functional theory</style></keyword><keyword><style  face="normal" font="default" size="100%">Luminescence</style></keyword><keyword><style  face="normal" font="default" size="100%">Mesophase</style></keyword><keyword><style  face="normal" font="default" size="100%">Schiff base</style></keyword><keyword><style  face="normal" font="default" size="100%">X-ray diffraction</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2016</style></year><pub-dates><date><style  face="normal" font="default" size="100%">FEB</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">PERGAMON-ELSEVIER SCIENCE LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">105</style></volume><pages><style face="normal" font="default" size="100%">150-158</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A series of four-coordinate d(10)-metal complexes of the type [ML2] {M = Zn, Cd, Hg; L = 4-nitro-2-((octadecylimino)methyl)phenol}, incorporating a new N-alkylated bidentate [N,O]-donor salicylaldimine Schiff base ligand, has been synthesized and characterized by elemental analyses, FT-IR, UV-Vis, H-1 NMR and FAB-mass spectroscopies. The ligand is non-mesomorphic and devoid of any photoluminescence. The zinc(II) and cadmium(II) complexes displayed highly ordered mesophases reminiscent of soft crystals. The phases have been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD) studies. The complex of mercury(II) decomposed prior to melting. An orthogonal symmetry with a `herringbone' array for the zinc complex and a primitive triclinic symmetry (p(1)) for the cadmium complex, respectively, has been proposed. The complexes exhibited fluorescence at room temperature, both in the solution and in the solid state, with emission maxima in the blue region. Density functional theory (DFT) calculations carried out using the GAUSSIAN 09 program at the B3LYP level revealed a distorted tetrahedral geometry around the metal center in all the complexes. Natural bond orbital (NBO) analysis suggested appreciable charge transfer from the ligand to the metal center in the complexes. (C) 2015 Elsevier Ltd. All rights reserved.&lt;/p&gt;</style></abstract><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">2.108</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Adimudo, Hillary Chijioke</style></author><author><style face="normal" font="default" size="100%">Agu, Chidike Justus</style></author><author><style face="normal" font="default" size="100%">Okenyeka, Obinna U.</style></author><author><style face="normal" font="default" size="100%">Eddy, Nnabuk O.</style></author><author><style face="normal" font="default" size="100%">Dim, Ebubechukwu Nnamdi</style></author><author><style face="normal" font="default" size="100%">Dege, Necmi</style></author><author><style face="normal" font="default" size="100%">Bonardd, Sebastian</style></author><author><style face="normal" font="default" size="100%">Vanka, Kumar</style></author><author><style face="normal" font="default" size="100%">Ibezim, Akachukwu</style></author><author><style face="normal" font="default" size="100%">Idika, Digbo Iku</style></author><author><style face="normal" font="default" size="100%">Diaz, David Diaz</style></author><author><style face="normal" font="default" size="100%">Obasi, Nnamdi Lawrence</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Molecular Structure</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Computational studies</style></keyword><keyword><style  face="normal" font="default" size="100%">molecular modeling</style></keyword><keyword><style  face="normal" font="default" size="100%">Schiff base</style></keyword><keyword><style  face="normal" font="default" size="100%">X-ray crystallography</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">1289</style></volume><pages><style face="normal" font="default" size="100%">135928</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and &amp;amp; alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) &amp;amp; ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H–H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H–H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 &amp;amp; PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 &amp;amp; PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	3.8&lt;/p&gt;
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Veetil, Ashwani Puthiya</style></author><author><style face="normal" font="default" size="100%">Ravikumar, Aniruddha</style></author><author><style face="normal" font="default" size="100%">Rajput, Tejas</style></author><author><style face="normal" font="default" size="100%">Singh, Aman Kumar</style></author><author><style face="normal" font="default" size="100%">Thakur, Tamanna</style></author><author><style face="normal" font="default" size="100%">Krishna, Abhijith</style></author><author><style face="normal" font="default" size="100%">Pol, Harshawardhan</style></author><author><style face="normal" font="default" size="100%">Shanmuganathan, Kadhiravan</style></author><author><style face="normal" font="default" size="100%">Asha, S. K.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Vanillin-based recyclable thermosets and their glass fiber reinforced composites</style></title><secondary-title><style face="normal" font="default" size="100%">Macromolecular Chemistry and Physics</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">3D printing</style></keyword><keyword><style  face="normal" font="default" size="100%">covalent adaptable network</style></keyword><keyword><style  face="normal" font="default" size="100%">re-processability</style></keyword><keyword><style  face="normal" font="default" size="100%">Schiff base</style></keyword><keyword><style  face="normal" font="default" size="100%">Vanillin</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2026</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JAN</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">227</style></volume><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	The accumulation of end-of-life plastic materials and composite reinforcement waste materials has brought much attention to developing sustainable alternatives and their re-processability. Incorporating covalent adaptable networks (CANs) into the crosslinked network bridges the concept of reversibility into the otherwise conventional non-reversible networks. This study investigates the structure-property relation in two reversible hardener systems derived from vanillin using Schiff base chemistry. The ``CAN'' systems were synthesized by condensation of vanillin with two amines, 4,4'-oxydianiline and tris(2-aminoethyl)amine, respectively, to form Va_ODA and Va_TAEA. The epoxy thermosets exhibited glass transition temperatures (T-g) of 125 degrees C and 115 degrees C, respectively, for Va_ODA and Va_TAEA, which is superior to most reversible vanillin-based systems reported. The vitrimer-thermosets exhibited promising mechanical and thermal properties, and reshaping abilities as a function of applied temperatures, indicating the dynamic nature of linkages. Chemical degradability was demonstrated by heating to 80 degrees C for 12 h in aqueous acidic medium or excess amine. The fabricated glass fiber composites exhibited good mechanical properties with tensile strength of 361 MPa and degradability in acetic acid/water mixture with a fiber recovery of &amp;gt;98 %. The recovered glass fiber exhibited almost similar tensile strength as the virgin glass fiber, demonstrating its potential reusability. The epoxy vitrimers underwent mechanical reprocessing through hot-pressing, as well as chemical reprocessing via 3D printing and by regeneration of imine bonds to form an epoxy resin.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;
	Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;
	2.7&lt;/p&gt;
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