Ouasri, A. Rhandour, A.
Published in
Russian Journal of Coordination Chemistry
AbstractThe present paper aims to review and discuss structural, thermal, phase transitions, solubility, catalytical, anticaries and toxicity properties of alkylammonium [R4 – nNHn]2SiF6, alkylenediammonium NH3(CH2)nNH3SiF6, and amino acid hexafluorosilicate salts, which have been previously published. Structural comparative analyses are made on th...
Ray, Upamanyu Zhu, Shuze Pang, Zhenqian Li, Teng
Published in
Advanced materials (Deerfield Beach, Fla.)
The abundance of cellulose found in natural resources such as wood, and the wide spectrum of structural diversity of cellulose nanomaterials in the form of micro-nano-sized particles and fibers, have sparked a tremendous interest to utilize cellulose's intriguing mechanical properties in designing high-performance functional materials, where cellul...
Palumbo, Oriele Cimini, Adriano Trequattrini, Francesco Brubach, Jean-Blaise Roy, Pascale Paolone, Annalisa
Published in
International journal of molecular sciences
Knowledge of all the intermolecular forces occurring in ionic liquids (ILs) is essential to master their properties. Aiming at investigating the weaker hydrogen bonding in aprotic liquids, the present work combined computational study and far-infrared spectroscopy on four imidazolium-based ILs with different anions. The DFT calculations of the ioni...
Borgert, Andrew Foley, B Lachele Live, David
Published in
Glycobiology
We have carried out a comparative study of the conformational impact of modifications to threonine residues of either α-O-Man or α-O-GalNAc in the context of a sequence from the mucin-like region of α-dystroglycan. Both such modifications can coexist in this domain of the glycoprotein. Solution NMR experiments and molecular dynamics calculations we...
Trung, Vu Quoc; Linh, Phan Thuy; Dai, Do Ba; Duong, Tran Thi Thuy; Linh, Nguyen Ngoc; Chinh, Nguyen Thuy; Linh, Duong Khanh; Hung, Ha Manh; Hoang, Thai; Khoe, Le Van;
...
The synthesis and spectroscopic data of (E)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetic acid are described. Crystallization from an ethanol-water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one mol-ecule of the acid and one mol-ecule of the potassium salt in the asymmetric unit. Both mol-ecu...
Moon, Dohyun Jeon, Sunghwan Lim, Woo Taik Ryoo, Keon Sang Choi, Jong-Ha
Published in
Acta Crystallographica Section E: Crystallographic Communications
The crystal structure of the new double CuII complex salt, [Cu( L )(H2O)2][Cu( L )]Br4·2H2O ( L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu( L )(H2O)2]2+ cation, one half of a [Cu( L )]2+ cation (both completed by cryst...
Behrman, Edward J. Parkin, Sean
Published in
Acta Crystallographica Section E: Crystallographic Communications
A simplified two-step synthesis of 3,6-dihydroxypicolinic acid (3-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid), C6H5NO4 ( II ), an intermediate in the metabolism of picolinic acid, is described. The crystal structure of II , along with that of a labile intermediate, dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate mo...
Vu Quoc, Trung Phan Thuy, Linh Do Ba, Dai Tran Thi Thuy, Duong Nguyen Ngoc, Linh Nguyen Thuy, Chinh Duong Khanh, Linh Ha Manh, Hung Thai, Hoang Le Van, Khoe
...
Published in
Acta Crystallographica Section E: Crystallographic Communications
The synthesis and spectroscopic data of ( E )-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetic acid are described. Crystallization from an ethanol–water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one molecule of the acid and one molecule of the potassium salt in the asymmetric unit. Both mole...
Salamanova, Evdokiya Atanasova, Mariyana Dimitrov, Ivan Doytchinova, Irini
Published in
Molecules (Basel, Switzerland)
The polyphenols curcumin (CU) and ferulic acid (FA) are able to inhibit the aggregation of amyloid-β (Aβ) peptide with different strengths. CU is a strong inhibitor while FA is a weaker one. In the present study, we examine the effects of CU and FA on the folding process of an Aβ monomer by 1 µs molecular dynamics (MD) simulations. We found that bo...
Sterkhova, I. V. Fedorova, T. E. Moskalik, M. Yu.
Published in
Russian Journal of General Chemistry
AbstractStructure of iodobicycloheptanyl-N′-(trifluoromethanesulfonyl) acetimidamide epimers and its self-associates in crystal, solution and gas phase was studied by X-ray diffraction, IR spectroscopy and quantum chemistry methods. In an isolated molecule, the 2S,7R-enantiomer is energetically preferred, the structure of which is also realized in ...
