Solid-state IR-LD spectroscopic and theoretical analysis of glycine-containing peptides and their hydrochlorides

被引:46
作者
Ivanova, Bojidarka B. [1 ]
Kolev, Tsonko
Zareva, Sonya Y.
机构
[1] Univ Sofia St Kl Ohridsky, Fac Chem, BU-1164 Sofia, Bulgaria
[2] Bulgarian Acad Sci, Inst Organ Chem, BU-1113 Sofia, Bulgaria
关键词
glycyl-glycine; glycyl-glycyl-glycine; glycyl-glycyl-glycyl-glycine; protonated forms; peptides; IR-LD spectroscopy; ab initio calculations; solid samples;
D O I
10.1002/bip.20512
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Aspart of an investigation on the coordination ability of peptides, structural analyses of the solid di-, tri, and tetrapeptides glycyl-glycine (GG), glycyl-glycyl-glycine (GGG), glycyl-glycylg/ycyl-glycine (GGGG), and their protonated hydrochlorides glycyl-glycine center dot HCl (GGH), glycyl-glycyl-glycine center dot HCl (GGGH), and glycyl-glycyl-glycyl-glycine center dot HCl (GGGGH) have been carried out. The quantum chemical calculations (Hartree-Fock/6-31++G**) and linear-dichroic infrared (IR-LD) spectroscopy predict a near to linear structure of the pure ligands, but the experimental IR-LD data are in accordance with a cross-linked disposition of amide fragments in the protonated forms. (c) 2006 Wiley Periodicals, Inc.
引用
收藏
页码:587 / 596
页数:10
相关论文
共 28 条
[1]  
ARNAUDOV MG, 2001, INT J VIBRAT SPECTRO, P5
[2]   INTERMOLECULAR DISPLACEMENT OF S-BOUND L-METHIONINE ON PLATINUM(II) BY GUANOSINE 5'-MONOPHOSPHATE - IMPLICATIONS FOR THE MECHANISM OF ACTION OF ANTICANCER DRUGS [J].
BARNHAM, KJ ;
DJURAN, MI ;
MURDOCH, PD ;
SADLER, PJ .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1994, (06) :721-722
[3]   CRYSTAL STRUCTURE OF ALPHA-GLYCYLGLYCINE [J].
BISWAS, AB ;
HUGHES, EW ;
SHARMA, BD ;
WILSON, JN .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1968, B 24 :40-&
[4]   From reactants to products via simple hydrogen-bonding networks: Information transmission in chemical reactions [J].
Brancato, G ;
Coutrot, F ;
Leigh, DA ;
Murphy, A ;
Wong, JKY ;
Zerbetto, F .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (08) :4967-4971
[5]  
CHA S, 2002, J CHEM PHYS, P117
[6]   Relative stability of C-1(4) and C-4(1) chair forms of beta-D-glucose: A density functional study [J].
Csonka, GI ;
Elias, K ;
Csizmadia, IG .
CHEMICAL PHYSICS LETTERS, 1996, 257 (1-2) :49-60
[7]   Three protected tetrapeptides [J].
Fenude, E ;
Casalone, G .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 1996, 52 :973-978
[8]   THE CRYSTAL-STRUCTURES OF [MET5] ENKEPHALIN AND A 3RD FORM OF [LEU5]ENKEPHALIN - OBSERVATIONS OF A NOVEL PLEATED BETA-SHEET [J].
GRIFFIN, JF ;
LANGS, DA ;
SMITH, GD ;
BLUNDELL, TL ;
TICKLE, IJ ;
BEDARKAR, S .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1986, 83 (10) :3272-3276
[9]   Coupling of the amide I modes of the glycine dipeptide [J].
Hamm, P ;
Woutersen, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2002, 75 (05) :985-988
[10]  
HELGAKER T, 2001, VAHTRAS OD MOL ELECT