Accurate hydrogen parameters for the amino acid Lleucine

Jack Binns; Simon Parsons; Garry J. McIntyre

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Accurate hydrogen parameters for the amino acid Lleucine

机译：氨基酸亮氨酸的精确氢参数

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The structure of the primary amino acid l-leucine has been determined for the first time by neutron diffraction. This was made possible by the use of modern neutron Laue diffraction to overcome the previously prohibitive effects of crystal size and quality. The packing of the structure into hydrophobic and hydrophilic layers is explained by the intermolecular interaction energies calculated using the PIXEL method. Variable-temperature data collections confirmed the absence of phase transitions between 120 and 300 K in the singlecrystal form.

机译：一级氨基酸1-亮氨酸的结构首次通过中子衍射确定。通过使用现代中子Laue衍射来克服以前晶体尺寸和质量的不利影响，这成为可能。用PIXEL方法计算的分子间相互作用能解释了该结构在疏水和亲水层中的堆积。可变温度数据收集证实了单晶形式在120 K和300 K之间不存在相变。

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《Acta Crystallographica, Section B. Structural science, crystal engineering and materials》 |2016年第6期|共8页
作者
Jack Binns; Simon Parsons; Garry J. McIntyre;
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正文语种 eng
中图分类晶体学;
关键词
amino acids; neutron diffraction; Laue diffraction; crystal packing;

机译：氨基酸;中子衍射;劳厄衍射;晶体堆积;

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1. Accurate hydrogen parameters for the amino acid Lleucine [J] . Jack Binns, Simon Parsons, Garry J. McIntyre Acta Crystallographica, Section B. Structural science, crystal engineering and materials . 2016,第6期

机译：氨基酸亮氨酸的精确氢参数
2. Correlation between accurate electron density and linear optical properties in amino acid derivatives: L-histidinium hydrogen oxalate [J] . Chimpri A.S., Gryl M., Dos Santos L.H.R., Crystal growth & design . 2013,第7期

机译：氨基酸衍生物中的精确电子密度与线性光学性质之间的相关性：L-组氨酸草酸氢盐
3. Accurate ~(13)C and ~(15)N Chemical Shift and ~(14)N Quadrupolar Coupling Constant Calculations in Amino Acid Crystals: Zwitterionic, Hydrogen-Bonded Systems [J] . Mark Strohmeier, Dirk Stueber, David M. Grant The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2003,第38期

机译：氨基酸晶体中精确的〜（13）C和〜（15）N化学位移和〜（14）N四极耦合常数计算：两性离子，氢键系统
4. Preparation of Chiral Amino Acid Intermediates for Synthesis of Pharmaceutical Compounds Using Amino Acid Dehydrogenases [C] . Ronald L. Hanson Asymmetric synthesis and application of α-amino acids . 2007

机译：用氨基酸脱氢酶制备用于合成药物的手性氨基酸中间体
5. Catalytic hydrogenation of amino acids and polyhydroxyalkanoates. [D] . Jere, Frank Thomas. 2003

机译：氨基酸和聚羟基链烷酸酯的催化加氢。
6. Manganese(II) catalyzes the bicarbonate-dependent oxidation of amino acids by hydrogen peroxide and the amino acid-facilitated dismutation of hydrogen peroxide. [O] . B S Berlett, P B Chock, M B Yim, 1990

机译：锰（II）催化过氧化氢和氨基酸促成的过氧化氢歧化而使氨基酸的碳酸氢盐依赖性氧化。
7. Correlation between accurate electron density and linear optical properties in amino acid derivatives : L-histidinium hydrogen oxalate [O] . Chimpri, Abita Shyorotra, Gryl, Marlena, Dos Santos, Leonardo H. R., 2013

机译：氨基酸衍生物中的精确电子密度与线性光学性质的相关性：L-组氨酸草酸氢盐

Accurate hydrogen parameters for the amino acid Lleucine

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