The cover pictureshows hydrogen bonds in the adenine–thymine (AT) Watson– Crick base pair.Ane ssential part of these H-bonds is their covalent component that arises from donor–acceptor interactions between the No rOlone pairs and the N–H antibonding s*a cceptor orbital. This charge-transfer interaction is represented by the green figures walking over the pedestrian crossing, connecting the two ...

When salts are added to water, generally the viscosity increases, suggesting that the ions increase the strength of the water's hydrogen-bond network. However, infrared pump-probe measurements on electrolyte solutions have found that ions have no influence on the rotational dynamics of water molecules, implying no enhancement or breakdown of the hydrogen-bond network. Here, we report optical Ke...

A fragment of Histidine rich protein II (HRP II 215-236) was investigated by 14N and 17O electric field gradient, EFG, tensor calculations using DFT. This study is intended to explore the differences between 310-helix and α-helix of HRPII both in the gas phase and in solution. To achieve the aims, the 17O and 14N NQR parameters of a fragment of HRPII (215-236) for both structures are calculated...

The secondary structure of the cyclic moiety of oxytocin and deamino-oxytocin has been determined by nuclear magnetic resonance spectroscopy (220 MHz). Oxytocin, in a dimethylsulfoxide-methanol mixture, contains a beta-turn involving the sequence -L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-. Deamino-oxytocin, in addition to the beta-turn, contains a hydrogen bond involving the amide hydro...

Sodium acceptors were diffused into ZnO bulk single crystals to a depth of 1 lm, with a near-surface concentration of 10 cm . An O–H local vibrational mode (LVM) was observed at 3304 cm , at a temperature of 9 K, in hydrogenated samples. The LVM is attributed to an O–H bond-stretching mode adjacent to a Na acceptor. When deuterium substitutes for hydrogen, a peak is observed at 2466 cm . The is...