AB-INITIO NUCLEAR SHIELDING CALCULATIONS OF A MODEL ALPHA-(1-]4)-GLUCAN

被引：18

作者：

DURRAN, DM

HOWLIN, BJ

WEBB, GA

GIDLEY, MJ

机构：

[1] UNIV SURREY, DEPT CHEM, GUILDFORD GU2 5XH, SURREY, ENGLAND

[2] UNILEVER RES, COLWORTH HOUSE, SHARNBROOK MK44 1LQ, BEDS, ENGLAND

来源：

CARBOHYDRATE RESEARCH | 1995年 / 271卷 / 02期

关键词：

AMYLOSE; ALPHA-(1-]4)-GLUCAN;

D O I：

10.1016/0008-6215(95)00116-B

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：

[No abstract available]

引用

页码：C1 / C5

页数：5

共 10 条

[1] AB-INITIO STUDY OF THE EFFECTS OF TORSION ANGLES ON C-13 NUCLEAR-MAGNETIC-RESONANCE CHEMICAL SHIELDING IN N-FORMYL-L-ALANINE AMIDE, N-FORMYL-L-VALINE AMIDE, AND SOME SIMPLE-MODEL COMPOUNDS - APPLICATIONS TO PROTEIN NMR-SPECTROSCOPY [J].

DEDIOS, AC ;

OLDFIELD, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (12) :5307-5314

[2] SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS [J].

DITCHFIELD, R .

MOLECULAR PHYSICS, 1974, 27 (04) :789-807

[3] COMPARISONS OF RIGID AND RELAXED CONFORMATIONAL MAPS FOR CELLOBIOSE AND MALTOSE [J].

FRENCH, AD .

CARBOHYDRATE RESEARCH, 1989, 188 :206-211

[4] C-13 CP/MAS NMR-STUDIES OF AMYLOSE INCLUSION COMPLEXES, CYCLODEXTRINS, AND THE AMORPHOUS PHASE OF STARCH GRANULES - RELATIONSHIPS BETWEEN GLYCOSIDIC LINKAGE CONFORMATION AND SOLID-STATE C-13 CHEMICAL-SHIFTS [J].

GIDLEY, MJ ;

BOCIEK, SM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (12) :3820-3829

[5]

HEHRE WJ, 1956, AB INITIO MOL ORBITA

[6] C-13-CP/MAS NMR-STUDIES OF THE CYCLOMALTO-OLIGOSACCHARIDE (CYCLODEXTRIN) HYDRATES [J].

HEYES, SJ ;

CLAYDEN, NJ ;

DOBSON, CM .

CARBOHYDRATE RESEARCH, 1992, 233 :1-14

[7]

HORII F, 1987, CARBOHYD RES, V160, P29

[8] RELATIONSHIP OF CHEMICAL-SHIFT TO GLYCOSIDIC CONFORMATION IN THE SOLID-STATE C-13 NMR-SPECTRA OF (1-]4)-LINKED GLUCOSE POLYMERS AND OLIGOMERS - ANOMERIC AND RELATED EFFECTS [J].

JARVIS, MC .

CARBOHYDRATE RESEARCH, 1994, 259 (02) :311-318

[9] CONFORMATION-DEPENDENT C-13 CHEMICAL-SHIFTS - A NEW MEANS OF CONFORMATIONAL CHARACTERIZATION AS OBTAINED BY HIGH-RESOLUTION SOLID-STATE C-13 NMR [J].

SAITO, H .

MAGNETIC RESONANCE IN CHEMISTRY, 1986, 24 (10) :835-852

[10] EFFICIENT IMPLEMENTATION OF THE GAUGE-INDEPENDENT ATOMIC ORBITAL METHOD FOR NMR CHEMICAL-SHIFT CALCULATIONS [J].

WOLINSKI, K ;

HINTON, JF ;

PULAY, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (23) :8251-8260

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