Previously proposed solvent correction to the amide I peptide vibration was extended so that it can be applied to a general solvated chromophore. The combined molecular and quantum mechanics (MMQM) method is based on a linear dependence of harmonic force field and intensity tensor components of the solute on solvent electrostatic field. For N-methylacetamide, realistic solvent frequency and int...

Amide bond-containing (ABC) biomolecules are some of the most intriguing and functionally significant natural products with unmatched utility in medicine, agriculture and biotechnology. The enzymatic formation of an amide bond is therefore a particularly interesting platform for engineering the synthesis of structurally diverse natural and unnatural ABC molecules for applications in drug discov...

The outer-membrane proteins OmpA and FhuA of Escherichia coli are monomeric beta-barrels of widely differing size. Polarized attenuated total reflection infrared spectroscopy has been used to determine the orientation of the beta-barrels in phosphatidylcholine host matrices of different lipid chain lengths. The linear dichroism of the amide I band from OmpA and FhuA in hydrated membranes genera...

The asymmetric unit of the title compound, C(15)H(12)Cl(2)N(2)O(2), contains two independent mol-ecules. In both independent mol-ecules, the N-H bond in one of the amide fragments is anti to the meta-chloro group of the adjacent benzene ring and that in the other amide group is syn to the other meta-chloro group. Furthermore, in both mol-ecules, each amide group is almost coplanar with the adja...

The strong influence of the structure amide derivatives on plutonium extraction properties is rationalized from DFT calculations.

Hyperpigmentation disorders are characterized by an overproduction of melanin. Treatments for pigmentary either disrupt the biosynthesis melanin or cytotoxic to melanocyte. Cysteamine a well-studied depigmenting agent inhibits synthesis at several steps in melanogenesis pathway. It is now through development novel complex combining stabilized cysteamine (st. Cys) with isobionic-amide, forming n...

Native-state hydrogen exchange (HX) studies, used in conjunction with NMR spectroscopy, have been carried out on Escherichia coli thioredoxin (Trx) for characterizing two folding subdomains of the protein. The backbone amide protons of only the slowest-exchanging 24 amino acid residues, of a total of 108 amino acid residues, could be followed at pH 7. The free energy of the opening event that r...