Structure of N-acetylproline amide in liquid water: Experimentally measured and numerically simulated infrared and vibrational circular dichroism spectra

Article Abstract:

IR and vibrational circular dichroism spectra of both L- and D- form AP solution were measured to determine the precise aqueous structure of AP in D2O. Comparisons between experimentally measured and computationally simulated spectra directly suggest that the AP in water adopts a polyproline II-like conformation and that the force field parameter ff03 in the AMBER 8 suite of program is more realistic and reliable in predicting molecular structure of AP in water than the ff99 in AMBER 7.

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Experimental anion affinities for the air/water interface

Article Abstract:

Anion affinities ([gamma][x.sup.-]), for the aerial interface aqueous solutions are determined by electrospray ionization mass spectrometry. The Hofmeister series of anion affinities for the air/water interface is paradoxically realized by the nonspecific effect of anions on the dielectric properties of interfacial water and under realistic environmental conditions surfactants may decisively affect anion affinities.

Chemical synthesis

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Photolytic control and infrared probing of amide I mode in the dipeptide backbone-caged with the 4,5-dimethoxy-2-nitrobenzyl group

Article Abstract:

UV-pulse-induced photochemical reactions of alanine dipeptide analog backbone-caged with the 4,5-dimethoxy-2-nitrobenzyl (DmNb) is studied using Fourier transform IR absorption spectroscopy. The amide I band changes to from doublet to singlet with equivalent changes of several IR bands, on photolysis of the analog, due to photocleavage of the covalent N-C bond connecting the backbone amide to DmNb.

Usage, Optical properties, Fourier transform infrared spectroscopy, Alanine, Chemical properties, Photolysis

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