In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, inter-molecular O-H⋯O hydrogen bonds lead to a three-dimensional supra-molecular network. Intra-molecular O-H⋯N hydrogen bonds and π-π inter-actions between the benzene rings and between the benzene and triazole rings [centroid-centroid distances = 3.657 (1) and 3.752 (1) Å] are observed.
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http://dx.doi.org/10.1107/S1600536811018356 | DOI Listing |
Acta Crystallogr C Struct Chem
January 2025
College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241000, People's Republic of China.
A new twofold interpenetrated 3D metal-organic framework (MOF), namely, poly[[μ-aqua-diaqua{μ-2,2'-[terephthaloylbis(azanediyl)]diacetato}barium(II)] dihydrate], {[Ba(CHNO)(HO)]·2HO}, (I), has been assembled through a combination of the reaction of 2,2'-[terephthaloylbis(azanediyl)]diacetic acid (TPBA, HL) with barium hydroxide and crystallization at low temperature. In the crystal structure of (I), the nine-coordinated Ba ions are bridged by two μ-aqua ligands and two carboxylate μ-O atoms to form a 1D loop-like Ba-O chain, which, together with the other two coordinated water molecules and μ-carboxylate groups, produces a rod-like secondary building unit (SBU). The resultant 1D polynuclear SBUs are further extended into a 3D MOF via the terephthalamide moiety of the ligand as a spacer.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya, (A Central University), Sagar, India.
We report a direct application of the molecular tailoring approach-based (MTA-based) method to calculate the individual hydrogen bond (HB) energy in molecular crystal. For this purpose, molecular crystals of nitromalonamide (NMA) and salicylic acid (SA) were taken as test cases. Notably, doing a correlated computation using a large molecular crystal structure is difficult.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
School of Biological and Chemical Engineering, NingboTech University, Ningbo 315100, China. Electronic address:
Theaflavins, oxidation product of tea polyphenols, have demonstrated significant inhibitory effects on α-glucosidase, which is beneficial in alleviating hyperglycemia. This study found that the inhibition of four monomers of theaflavins on α-glucosidase was related to the presence of the galloyl moiety (GM), with IC values ranging from TFDG (0.26 mg/mL) < TF3'G (0.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Food Science and Technology, Huazhong Agricultural University, Wuhan, Hubei Province 430070, PR China. Electronic address:
The in-situ-produced dextrans (DXs) could effectively enhance the viscosity of rice protein (RP) yogurt, but the reason for this improvement has not been elucidated. This study aims to reveal the mechanism underlying the viscosity improvement of RP yogurt by the presence of in-situ DXs. DXs synthesized in RP yogurts under different optimum conditions were purified and fully characterized.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Food Science and Technology, Guangdong Ocean University, Zhanjiang 524088, China; Shenzhen Institute of Guangdong Ocean University, Shenzhen 518108, China; National Research and Development Branch Center for Shellfish Processing (Zhanjiang), Zhanjiang 524088, China; Guangdong Provincial Key Laboratory of Aquatic Products Processing and Safety, Guangdong Provincial Engineering Technology Research Center of Seafood, Zhanjiang 524088, China. Electronic address:
This study aimed to investigate the structural characteristics of Stichopus horrens collagen (SHC), Holothuria scabra collagen (HSC), and Holothuria leucospilota collagen (HLC) and to assess the effect of transglutaminase (TGase) on their film-forming properties. The results indicated that the collagens from three species of sea cucumbers were type I collagen with a complete triple helical structure. The thermal denaturation temperature of HLC (34.
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