Femtosecond bond breaking and charge dynamics in ultracharged amino acids
نویسندگان
چکیده
منابع مشابه
Hydrogen-bond motifs in the crystals of hydrophobic amino acids.
A computer program has been developed to survey a set of crystal structures for hydrogen-bond motifs. Possible ring and chain motifs are generated automatically from a user-defined list of interacting molecular fragments and intermolecular interactions. The new program was used to analyse the hydrogen-bond networks in the crystals of 52 zwitterionic alpha-amino acids. All the possible chain mot...
متن کاملCharge and Color Breaking
The presence of scalar fields with color and electric charge in supersymmetric theories makes feasible the existence of dangerous charge and color breaking (CCB) minima and unbounded from below directions (UFB) in the effective potential, which would make the standard vacuum unstable. The avoidance of these occurrences imposes severe constraints on the supersymmetric parameter space. We give he...
متن کاملDynamic force spectroscopy: Analysis of reversible bond-breaking dynamics.
The problem of diffusive bond dissociation in a double well potential under application of an external force is scrutinized. We compute the probability distribution of rupture forces and present a detailed discussion of the influence of finite rebinding probabilities on the dynamic force spectrum. In particular, we focus on barrier crossing upon extension, i.e., under linearly increased load, a...
متن کاملQSAR relationships The changes in the ratio of electrons to the natural charge of atoms in the complexes of glycine and alanine amino acids with intermediates
In this paper, the quantum chemistry calculations related to the structural parameter of the three anions and the resulting complexes with glycine and alanine have been performed. The calculations were carried out using the HF and DFT method and in the base series 6-31G *. Natural Transplantation Orbital (NBO), hybrid capacity for bindings and is obtained. The ratio of the internal electrons, V...
متن کاملCharge-Transfer Interactions of Aliphatic Amino Acids with Metal Ions
The effect of various non-SH-containing amino acids on an electron spin resonance spectrum as well as on an optical absorption spectrum of an aqueous copper (II) solution was investigated. The data obtained indicate that a charge-transfer complex is formed with amino acids acting as electron donors. A plot of the wavelength of the CT-band vs. the pK values of the carboxyl group exhibits a strai...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5116814