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Investigation on Vibrational Spectra and Structures of 4-Mercaptopyridine Monomer and Its dihydrate

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Chemical Research in Chinese Universities 2006年第1期22卷 90-93页

作者： CHENG Jian-bo 1,2 , XUE Wei-qing 1 , ZHAO Bing 1** , ZHANG Gang 3 and GONG Bao-an 2 1. Key Laboratory for Supramolecular Structure and Material of Ministry of Education, Jilin University, Changchun 130012, P. R. China 2. Science and Engineering College of Chemistry and Biology, Yantai University, Yantai 264005, P. R. China 3. State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, P. R. China Key Laboratory for Supramolecular Structure and Material of Ministry of Education Jiln University Changchun 130012 P. R. China Science and Engineering College of Chemistry and Biology Yantai University Yantai 264005 P. R. China State Key Laboratory of Theoretical and Computational Chemistry Jiln University Changchun 130023 P. R. China

The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine(4MPY) monomer and its dihydrate were studied by means of the density functional theory(DFT), viz. B3LYP method with the 6-311++G(d,p) basis set. On the basis of the calculations, the assignments of the vibrational spectra of the monomer and the dihydrate were performed, and so were investigated the changes in the structure and the vibrational spectrum of the dihydrate as well as the intermolecular force resulting in the formation of the dihydrate. The calculated results show that each of the water molecule planes is vertical to the pyridine ring plane in the dihydrate that is formed via the H-bonds between 4MPY and water molecules. Furthermore, the structure and the vibrational spectrum of 4MPY can be consi- derably affected by the water molecules.

关键词： 4MPY dihydrate Vibrational spectra DFT Molecular structure

Synthesis and Crystal Structure Studies of Mitomycin C dihydrate

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Crystal Structure Theory and Applications 2020年第2期9卷 13-21页

作者： Yingqi Feng Yongshou Chen Yixin Ren Heng Zhang Shuang Cao Key Laboratory for Green Chemical Process of Ministry of Education School of Chemical Engineering and Pharmacy Wuhan Institute of Technology Wuhan China

The absolute configuration of mitomycin C was determined?by X-ray single crystal diffraction?(CuKα), and a new?crystalline?dihydrate of mitomycin C had been prepared. The?experiment?result?provides?a definitive answer?to the real absolute configuration of mitomycin C and may put an end to the dispute?that baffles?researchers for decades.?At the same time, some contentious structures?about the mitomycin C in?American Pharmacopoeia?USP36-NF31,?Chinese pharmacopoeia?2015?edtion?and numbers of?literatures are marked. The absolute configuration?is?also verified?by?1D (1H?and?13C) and 2D (HSQC, HMBC,?1H-1H?COSY?and?NOESY) NMR studies?indirectly. Powder X-ray diffraction (PXRD) pattern of the?mitomycin C dihydrate?is similar to that calculated for?it, which?suggests that the purity?of?sample?is excellent.

关键词： Crystal Structure dihydrate Absolute Configuration Mitomycin C

Stress Degradation Studies on Lisinopril dihydrate Using Modified Reverse Phase High Performance Liquid Chromatography

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American Journal of Analytical Chemistry 2014年第5期5卷 316-322页

作者： Elsadig H. K. Adam Department of Pharmaceutical Chemistry College of Pharmacy Salman bin Abdulaziz University Al-Kharj KSA

A simple, precise, accurate and sensitive reverse phase high performance liquid chromatographic method for simultaneous estimation of lisinopril dihydrate and its degradation products occuring under different ICH prescribed stress conditions has been modified. Drug was resolved on a C18 column, utilizing modified mobile phase of tetra butyl ammonium hydroxide solution and acetonitrile. Ultra violet detection was carried out at 210 nm. The method was modified with respect to linearity, precision, accuracy, selectivity, specificity and ruggedness. The results obtained revealed that lisinopril dihydrate was an active product slightly changed under stress conditions.

关键词： Lisinopril dihydrate Stability UV Light Sun Light High Temperature Pharmaceutical Excipients High Performance Liquid Chromatography

CRYSTAL STRUCTURE OF (μ-PYRAZINE)-BIS[DIAQUA(IMINODIACETATO) COPPBR(Ⅱ)] dihydrate

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结构化学 1987年第1期 39-42页

作者： Xu Duanjun Cheng Chaorong Xu Yuanzhi Zhou KangjingDepartment of Chemistry, Zhejiang UniversityFujian Institute of Research on the Structure of Hatter, Academia Sinica

PRELIMINARY INFORMATION. Recently multinuclear complexes with bridging ligand have been found possibly to possess special catalytical and special electric properties. Therefore more attention has been paid to such complexes. This study is a part of systimatic investigations on structures and properties of the kind of complexes, which have been carred out previously.

关键词： IMINODIACETATO PYRAZINE COPPBR CRYSTAL STRUCTURE OF dihydrate BIS[DIAQUA

二水合草酸亚铁:一种兼具光催化氧化和光芬顿氧化能力的配位聚合物（英文）

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Science China Materials 2016年第7期59卷 574-584页

作者：樊向前张玲霞李孟丽王敏周晓霞程若霖周亚君施剑林 State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China

最近,配位聚合物作为一种引人注目的光催化剂已经引起了很多研究者的兴趣.但是危险耗时的制备方法使它的应用受到了限制.本文采用便捷的制备方法合成了一种简单的线性配位聚合物"二水合草酸亚铁",并证实了其光催化降解染料的活性和能力... 详细信息

最近,配位聚合物作为一种引人注目的光催化剂已经引起了很多研究者的兴趣.但是危险耗时的制备方法使它的应用受到了限制.本文采用便捷的制备方法合成了一种简单的线性配位聚合物"二水合草酸亚铁",并证实了其光催化降解染料的活性和能力.同时,我们提出了一种独特的结合了传统光催化氧化和光Fenton氧化的双途径催化氧化机理.二水合草酸亚铁优异的光催化性能及其经济简单的合成方法,使其有望成为一种有效的降解有机染料的光催化剂.

关键词： a-ferrous oxalate dihydrate coordination polymer photocatalysis Fenton reaction RhB degradation

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Differences in Acute Phase Reactants between Gout and Pseudogout

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International Journal of Clinical Medicine 2013年第12期4卷 13-19页

作者： Clement E. Tagoe Yasmin Raza Department of Medicine Albert Einstein College of Medicine Bronx USA Department of Medicine Temple University Phila- delphia USA

Objectives: To define clinical differences in the acute phase response and serum acute phase reactants between gout, pseudogout and crystal-induced arthritis in the presence of non-articular infections (CAI). Patients and Methods: Eleven patients with definite gout, 12 patients with pseudogout and 5 patients with CIA were included in the study. Results: The erythrocyte sedimentation rate (ESR) was significantly different between gout (68.2 ± 49.9 mm/Hr) and CIA (113.8 ± 37.2 mm/Hr) but not between gout and pseudogout (83.9 ± 45.6 mm/Hr) or between pseudogout and CIA. The C-reactive protein (CRP) was significantly increased between gout (10.1 ± 7.9 mg/dL) and pseudogout (18.9 ± 9.8 mg/dL), gout and CIA (36.5 ± 12.4 mg/dL) as well as between pseudogout and CIA. The peripheral white cell count was significantly different between gout (9.27 ± 3.7 k/μL) and CIA (16.5 ± 6.8 k/μL), and between pseudogout (8.9 ± 3.2 k/μL) and CIA. Conclusions: Measurement of ESR and CRP are helpful in crystal-induced arthritis. The CRP has more discriminating utility than the ESR in distinguishing between gout, pseudogout and CIA. Peripheral wbc is most useful for differentiating crystal-induced arthritis from CIA.

关键词： Gout Pseudogout Crystal-Induced Arthritis Acute Phase Reactants C-Reactive Protein Calcium Pyrophosphate dihydrate Deposition Disease