On the solvation of L-aspartic acid

被引：7

作者：

Paxton, AT ^{[1
]}

Harper, JB

机构：

[1] Queens Univ Belfast, Sch Math & Phys, Atomist Simulat Ctr, Belfast BT7 1NN, Antrim, North Ireland

[2] Univ New S Wales, Sch Chem, Sydney, NSW 2052, Australia

来源：

MOLECULAR PHYSICS | 2004年 / 102卷 / 9-10期

关键词：

D O I：

10.1080/00268970410001711913

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We use molecular statics and dynamics to study the stability of L-aspartic acid both in vacuo and solvated by polar and non-polar molecules using density functional theory in the generalized gradient approximation. We find that structures stable in vacuo are unstable in aqueous solution and vice versa. From our simulations we are able to come to some conclusions about the mechanism of stabilisation of zwitterions by polar protic solvents, water and methanol.

引用

页码：953 / 958

页数：6

共 50 条

[11] Speciation of biochemically important iron complexes with amino acids: L-aspartic acid and L-aspartic acid - glycine mixture
Vukosav, Petra
Mlakar, Marina
[J]. ELECTROCHIMICA ACTA, 2014, 139 : 29 - 35
[12] A Novel Inhibitor of β-Glucuronidase: l-Aspartic Acid
Bill L Kreamer
Frank L Siegel
Glenn R Gourley
[J]. Pediatric Research, 2001, 50 : 460 - 466
[13] A novel inhibitor of β-glucuronidase:: L-aspartic acid
Kreamer, BL
Siegel, FL
Gourley, GR
[J]. PEDIATRIC RESEARCH, 2001, 50 (04) : 460 - 466
[14] ANALOGS OF L-ASPARTIC ACID IN CHEMOTHERAPY FOR CANCER
JAYARAM, HN
COONEY, DA
[J]. CANCER TREATMENT REPORTS, 1979, 63 (06): : 1095 - 1108
[15] SYNTHESIS OF DEUTERIUM DERIVATIVES OF L-ASPARTIC ACID
TAMIYA, N
OSHIMA, T
[J]. JOURNAL OF BIOCHEMISTRY, 1962, 51 (01): : 78 - &
[16] Synthesis of L-Aspartic Acid and Lactone Copolymers
Ren Xi ZHUO
Jie CHENG(Department of Chemistry
[J]. Chinese Chemical Letters, 1998, (05) : 443 - 445
[17] CRYSTAL AND MOLECULAR STRUCTURE OF L-ASPARTIC ACID
DERISSEN, JL
ENDEMAN, HJ
PEERDEMA.AF
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 : 1349 - &
[18] MAGNESIUM BINDING TO POLY(L-ASPARTIC ACID)
JACOBSON, AL
[J]. BIOPOLYMERS, 1965, 3 (03) : 249 - &
[19] L-ASPARTIC ACID TRANSPORT BY CAT ERYTHROCYTES
CHEN, CW
PRESTON, RL
[J]. FEDERATION PROCEEDINGS, 1986, 45 (03) : 549 - 549
[20] The optical activity of crystalline L-aspartic acid
Asahi, T
Takahashi, M
Kobayashi, J
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1997, 53 : 763 - 771

← 1 2 3 4 5 →