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When you consider that its inception in 1945, this serial has supplied severe and integrating articles written through examine experts that combine business, analytical, and technological features of biochemistry, natural chemistry, and instrumentation method within the research of carbohydrates. The articles supply a definitive interpretation of the present prestige and destiny traits in carbohydrate chemistry and biochemistry.
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Extra info for Advances in Carbohydrate Chemistry and Biochemistry, Vol. 62
Used DFT results (Fig. 5) to construct the equation: 3 JCÀ1;HOÀ2 ¼ 4:10 À 2:72 cos ’ þ 5:01 cos 2’ ð53Þ which was derived by averaging the coefficients obtained from three model structures. Fitting of the DFT data for a fourth structure generated an equation containing somewhat smaller coefficients: 3 JCÀ1;HOÀ2 ¼ 3:28 À 0:93 cos ’ þ 3:74 cos 2’ ð54Þ This result was interpreted75 in terms of the absence of a terminal, in-plane electronegative substituent in the fourth structure, as compared with the other three models, in each of which, the magnitude of 3JC-1,HO-2 was enhanced by the presence of an in-plane O-1, or O-5.
77 on uridine analogues substituted with 13C at C-2 of the uracil residue and on 3,4,6-tri-O-acetyl-a-D-glucopyranose 1,2(methyl 1-13C-orthoacetate) suggested the existence of a Karplus relationship for 3 JHCOC and 3JHCNC, but no attempt was made to define any equations. 3 DEVELOPMENTS IN THE KARPLUS EQUATION 37 a. 9 Hz. Literature data for cyclomaltohexaose, phenyl 3-O-acetyl-b-D-xylopyranoside, and 1,2-O-ethylidene-b-D-glucopyranoside, provided coupling values for estimated dihedral angles of 10 and 60 .
122 Theoretical calculations of coupling constants were also performed for three structural models, including one for a disaccharide as a 54 B. COXON function of the interglycosidic angle c. Careful attention was paid to the effects of rotameric populations about the C-1–O-1, O-1–C-40 , and C-5–C-6 bonds in the models. 122 For example, for HO–C–C–O–C–OH pathways, the magnitude of coupling between the terminal carbon nuclei is enhanced when the terminal oxygen atoms lie in the C–C–O–C plane (’CCOC ¼ 180 ).