Charge transport in a polypeptide chain

Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance, and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations and successfully explains such action at a distance. Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002     

The influence of interatomic distances on magnetic ordering in RMnSi compounds (R=La, Y, Sm, and Gd)

Magnetic ordering in the RMnSi (R=La, Y, Sm, and Gd) compounds is investigated. It is found that the type of magnetic ordering depends on the d _Mn-Mn distance between manganese atoms inside the magnetic layers located in the planes perpendicular to the c axis. This inference is based on the results of studies performed with SmMnSi and GdMnSi compounds in which the distances between manganese atoms are close to the critical value d _Mn-Mn that corresponds to the crossover between ferromagnetic and antiferromagnetic ordering in RMnSi compounds. The introduction of lanthanum and yttrium atoms into the rare-earth sublattice leads to an increase and a decrease in the unit cell size, respectively, and brings about magnetic phase transitions in the compounds under investigation.     

Effect of gamma irradiation on photoconversion characteristics of metal/gallium arsenide barrier structures with textured interface

The effect of ⁶⁰Co gamma irradiation at doses of 10³-2×10⁵ Gy on the photoconversion and dark I-V characteristics of Au/GaAs surface-barrier solar cells (SCs) is studied. The morphology of the interface microrelief is varied to reach the highest photoconversion efficiency. Of the two types of microrelief morphology (dendritic and quasi-grating) obtained by the chemical anisotropic etching of n-(100)GaAs, the latter is more promising, particularly for SCs designed for space application, since the associated SCs offer higher efficiency and radiation resistance.     

Franck-Condon factors and relative strengths of the c1Σu → α1Δg,c1Σu → X3Σg electronic transitions in the O2 molecule

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 54, No. 1, pp. 46–50, January, 1991.     

The frequency scale of speech intonation.

In intonation research, prominence-lending pitch movements have either been described on a linear or on a logarithmic frequency scale. An experiment has been carried out to check whether pitch movements in speech intonation are perceived on one of these two scales or on a psychoacoustic scale representing the frequency selectivity of the auditory system. This last scale is intermediary between the other two scales. Subjects matched the excursion size of prominence-lending pitch movements in utterances resynthesized in different pitch registers. Their task was to adjust the excursion size in a comparison stimulus in such a way that it lent equal prominence to the corresponding syllable in a fixed test stimulus. The comparison stimulus and the test stimulus had pitches running parallel on either the logarithmic frequency scale, the psychoacoustic scale, or the linear frequency scale. In one-half of the experimental sessions, the test stimulus was presented in the low register, while the comparison stimulus was presented in the high register, and, conversely, for the other half of the sessions. The result is that, in all cases, stimuli are matched in such a way that the average excursion sizes in different registers are equal on the psychoacoustic scale.     

Fast and efficient preparation of Baylis-Hillman-derived (E)-allylic azides and related compounds in aqueous medium

A practical access to alkyl- and aryl-substituted (E)-2-(azidomethyl)alkenoates and related azido compounds from the corresponding allylic bromides in aqueous acetone is described. An alternative method to obtain the starting bromides based on heterogeneous catalysis under mild conditions was also investigated.     

Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

Enantiodiscrimination of racemic electrophiles by diketopiperazine enolates: asymmetric synthesis of methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates

Enolates of (S)-N,N′-bis-(p-methoxybenzyl)-3-iso-propylpiperazine-2,5-dione exhibit high levels of enantiodiscrimination in alkylations with (RS)-1-aryl-1-bromoethanes and (RS)-2-bromoesters, affording substituted diketopiperazines containing two new stereogenic centres in high de. Deprotection and hydrolysis of the resultant substituted diketopiperazines provides a route to the asymmetric synthesis of homochiral methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates in high de and ee.     

Irregularities of distribution with respect to strips

Summary A lower bound is established for the strip discrepancy of a broad class of point distributions. The bound implies unbounded strip discrepancy for equally weighted point distributions under favorable conditions. The methods of proof use notions from integral geometry.