CONFORMATIONAL ANALYSIS OF N-VINYL-2-PHENYLPYRROLE~*

Yu. Yu. Rusakov; L. B. Krivdin; N. V. Istomina; E. Yu. Schmidt; A. I. Mikhaleva

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CONFORMATIONAL ANALYSIS OF N-VINYL-2-PHENYLPYRROLE~*

机译：N-乙烯基-2-苯并吡咯的构象分析〜*

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A conformational analysis of N-vinyl-2-phenylpyrrole was undertaken according to the results fromexperimental measurements and nonempirical quantum-chemical calculation of the high-level ~(13)C-~1Hand ~(13)C-~(Cspin-spin coupling constants. Angular relationships were established in the direct andvicinal J_(C,C)and J_(C,H)constants in the N-vinylpyrrole fragment, making it possible to use them instereochemical investigations of the vinyl derivatives of pyrrole.

机译：根据实验测量结果和高水平〜（13）C-〜1Hand〜（13）C-〜（Cspin-spin耦合）的实验和非经验量子化学计算结果，对N-乙烯基-2-苯基吡咯进行了构象分析。在N-乙烯基吡咯片段的直接和邻近的J_（C，C）和J_（C，H）常数中建立了角关系，从而可以将它们用于吡咯的乙烯基衍生物的立体化学研究。

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《Chemistry of heterocyclic compounds》 |2009年第1期|共7页
作者
Yu. Yu. Rusakov; L. B. Krivdin; N. V. Istomina; E. Yu. Schmidt; A. I. Mikhaleva;
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正文语种 eng
中图分类杂环化合物;
关键词
N-vinyl-2-phenylpyrrole; conformational analysis; spin-spin coupling constants; second-order polarization propagator approximation (SOPPA).;

机译：N-乙烯基-2-苯基吡咯;构象分析;自旋-自旋耦合常数;二阶极化传播器近似（SOPPA）。;

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1. CONFORMATIONAL ANALYSIS OF N-VINYL-2-PHENYLPYRROLE~* [J] . Yu. Yu. Rusakov, L. B. Krivdin, N. V. Istomina, Chemistry of heterocyclic compounds . 2009,第1期

机译：N-乙烯基-2-苯并吡咯的构象分析〜*
2. Conformational and configurational analysis of 2-phenoxy-2-oxo-1,3,2-dioxaphosphorinanes. Conformational and configurational dependence upon conformation of the diol precursor [J] . Sartillo-Piscil F., Sanchez M., Cruz-Gregorio S., Tetrahedron . 2004,第13期

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3. Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis. [J] . Rodziewicz-Motowidlo S, Legowska A, Qi XF, The journal of peptide research: official journal of the American Peptide Society . 2000,第3期

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4. Conformational studies of a monoclonal antibody, IgG1, by chemical oxidation: Structural analysis by UHPLC-ESI-ToF MS-multivariate data analysis [C] . Leila Zamani, Fredrik O. Andersson, Per Edebrink, ASMS Conference on Mass Spectrometry and Allied Topics . 2008

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6. Analysis of the code relating sequence to conformation in globular proteins. An informational analysis of the role of the residue in determining the conformation of its neighbours in the primary sequence [O] . Barry Robson, Roger H. Pain 1974

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7. The alfa to beta conformational transition of Alzheimer's Abeta-(1-42) peptide in aqueous media is reversible: a step by step conformational analysis suggests the location of the beta conformation seeding. [O] . S. TOMASELLI, V. ESPOSITO, P. VANGONE, 2006

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CONFORMATIONAL ANALYSIS OF N-VINYL-2-PHENYLPYRROLE~*

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