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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): m520, 2012 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-22589870

RESUMO

In the title complex, [Zn(C(10)H(8)N(5))Cl](n), the Zn(II) ion is four-coordinated by one Cl atom and three N atoms from two in situ-generated deprotonated 5-(1-methyl-1H-benzimidazol-2-yl-κN(3))-1,2,3-triazol-1-ide ligands in a slightly distorted tetra-hedral geometry. The Zn(II) ions are bridged by the ligands, forming a helical chain along [001]. C-H⋯N and C-H⋯Cl hydrogen bonds and π-π inter-actions between the imidazole rings [centroid-centroid distance = 3.4244 (10) Å] assemble the chains into a three-dimensional supra-molecular network.

2.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 12): o3215, 2009 Nov 25.
Artigo em Inglês | MEDLINE | ID: mdl-21578923

RESUMO

In the title compound, C(9)H(7)N(5)O(8), the dihedral angle between the mean plane of the azetidine ring and that of the benzene ring is 26.1 (1)°; the planes of the two nitro groups of the azetidine ring are aligned at 88.7 (1)°.

3.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 1): o57, 2009 Dec 04.
Artigo em Inglês | MEDLINE | ID: mdl-21580159

RESUMO

In the title gem-dinitro-azetidine derivative, C(10)H(9)N(3)O(5), the azetidine ring is almost planar, the maximum value of the endocyclic torsion angle being 0.92 (14)°. The gem-dinitro groups are mutually perpendicular and the dihedral angle between the azetidine and benzene rings is 46.70 (10)°

4.
J Phys Chem A ; 111(35): 8642-9, 2007 Sep 06.
Artigo em Inglês | MEDLINE | ID: mdl-17696412

RESUMO

The thermal decomposition and the nonisothermal kinetics of the thermal decomposition reaction of 2,4,6,8-tetranitro-2,4,6,8-tetraazabicyclo[3,3,1]onan-3,7-dione (TNPDU) were studied under the nonisothermal condition by differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) methods. The kinetic model function in differential form and the value of Ea and A of the decomposition reaction of TNPDU are f(alpha) = 3(1 - alpha)[-ln(1 - alpha)](2/3), 141.72 kJ mol(-1), and 10(11.99) s(-1), respectively. The critical temperature of thermal explosion of the title compound is 232.58 degrees C. The values of DeltaS(++), DeltaH(++), and DeltaG(++) of this reaction are -15.50 J mol(-1) K(-1), 147.65 kJ mol(-1), and 155.26 kJ mol(-1), respectively. The theoretical investigation on the title compound as a structure unit was carried out by the DFT-B3LYP/6-311++G** method. The IR frequencies and NMR chemical shift were performed and compared with the experimental results. The heat of formation (HOF) for TNPDU was evaluated by designing isodesmic reactions. The detonation velocity (D) and detonation pressure (P) were estimated by using the well-known Kamlet-Jacobs equation, based on the theoretical densities and HOF. The calculation on bond dissociation energy suggests that the N-N bond should be the trigger bond during the pyrolysis initiation process.

5.
Yao Xue Xue Bao ; 42(12): 1282-7, 2007 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-18338641

RESUMO

An alpha-amylase inhibitor (alpha-AI) was isolated from white kidney beans (Phaseolus vulgaris L) by ethanol fractional precipitation, ion exchange chromatography and gel filtration column chromatography. It was a homogeneity glycoprotein demonstrated by SDS-PAGE and gel filtration on CL-6B. The glycoprotein contained 88.2% protein and was rich in aspartic acid, glutamic acid, leucine, threonine and serine. The carbohydrate moiety was consisted of Man, Glc, Gal and Xyl in a mole ratio of 2.42: 1.50: 1.52: 1.00. The glycan and the core protein backbone was connected by O-linkage as determined by beta-elimination reaction. The continuous oral administration of the alpha-AI (150 mg x kg(-1) x d(-1)) for 7 days can lower fasting blood glucose and 300 mg x kg(-1) x d(-1) alpha-AI for 7 days can improve the sugar tolerance on alloxan-dependent diabetic model rats. The result showed the alpha-AI obtained from white kidney beans had good hypoglycemic effect on alloxan induced diabetic rats and may have high potential pharmaceutical value as a regulative digestive-starch degradation in patients suffering from diabetes.


Assuntos
Glicemia/metabolismo , Phaseolus , Lectinas de Plantas/farmacologia , alfa-Amilases/antagonistas & inibidores , Aloxano , Aminoácidos/análise , Animais , Diabetes Mellitus Experimental/sangue , Diabetes Mellitus Experimental/induzido quimicamente , Feminino , Glicoproteínas/química , Glicoproteínas/isolamento & purificação , Glicoproteínas/farmacologia , Peso Molecular , Monossacarídeos/análise , Phaseolus/química , Lectinas de Plantas/química , Lectinas de Plantas/isolamento & purificação , Proteínas de Vegetais Comestíveis/análise , Plantas Medicinais/química , Ratos , Ratos Sprague-Dawley
6.
Yao Xue Xue Bao ; 41(11): 1074-7, 2006 Nov.
Artigo em Chinês | MEDLINE | ID: mdl-17262950

RESUMO

AIM: To synthesize gastrodin via biotransformation of microorganism using p-hydroxybenzaldehyde as substrate. METHODS: Using resting cell techniques with TLC and HPLC analysis, a strain of Rhizopus chinensis Staito AS3. 1165 which has the capability of biotransforming p-hydroxybenzaldehyde into gastrodin was screened from 50 strains of microorganisms. Preparative scale biotransformation was carried out under the optimal transforming condition. The product was obtained by chromatography, and characterized on the basis of its physical and spectral data. RESULTS: The product was identified as gastrodin on the basis of its 1H NMR, 13C NMR and EI-MS spectral data. CONCLUSION: The fact that gastrodin could be synthesized by microbial transformation implies a new approach to gastrodin production. As a result, this research will be of a great economic and social value.


Assuntos
Benzaldeídos/metabolismo , Glucosídeos/biossíntese , Rhizopus/metabolismo , Benzaldeídos/química , Álcoois Benzílicos/química , Biotransformação , Cromatografia Líquida de Alta Pressão , Cromatografia em Camada Fina , Glucosídeos/química , Modelos Biológicos , Estrutura Molecular
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