Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF

The periplasmic Cu(+)/Ag(+) chaperone CusF features a novel cation-π interaction between a Cu(+)/Ag(+) ion and Trp44 at the metal binding site. The nature and strength of the Cu(+)/Ag(+)-Trp44 interactions were investigated using computational methodologies. Quantum-mechanical (QM) calculations showed that the Cu(+) and Ag(+) interactions with Trp44 are of similar strength (~14 kcal/mol) and bond order. Quantum-mechanical/molecular-mechanical (QM/MM) calculations showed that Cu(+) binds in a distorted tetrahedral coordination environment in the Trp44Met mutant, which lacks the cation-π interaction. Molecular dynamics (MD) simulations of CusF in the apo and Cu(+)-bound states emphasized the importance of the Cu(+)-Trp44 interaction in protecting Cu(+) from water oxidation. The protein structure does not change over the time scale of hundreds of nanoseconds in the metal-bound state. The metal recognition site exhibits small motions in the apo state but remains largely preorganized toward metal binding. Trp44 remains oriented to form the cation-π interaction in the apo state and faces an energetic penalty to move away from the metal ion. Cu(+) binding quenches the protein's internal motions in regions linked to binding CusB, suggesting that protein motions play an essential role in Cu(+) transfer to CusB.     

Solutions of Yang's EuclideanR-gauge equations and self-duality

Under some assumptions and transformations of variables, Yang's equations forR-gauge fields on Euclidean space lead to conformally invariant equations permitting one to obtain infinitely many other solutions from any solution of these conformally invariant equations. These conformally invariant equations closely resemble the mathematically interesting generalized Lund-Regge equations. Some exact solutions of these conformally in variant equations are obtained. Except for some singular situations, these solutions are self-dual.     

Synthesis, crystal structure determination, spectroscopic and electrochemical studies of trans-[Ru(PPh3)2(bbpH2)Cl]Cl·CHCl3·H20 (bbpH2=2,6-bis(benzimidazolyl) pyridine) – an infinite double columnar supramolecule in the solid state

The synthesis, crystal structure, redox and spectroscopic properties of trans-[Ru(bbpH₂)(PPh₃)₂Cl]Cl are reported. In the crystalline solvate trans-[Ru(bbpH₂)(PPh₃)₂cCl]Cl CHCl₃ H₂O, the molecular components are connected by strong intermolecular hydrogen bonding to form an infinite double column.     

Order–disorder transition in nanocrystalline Ni3Al prepared by a chemical route

Ni₃Al alloys of nanometer dimensions in the range 10–38 nm could be synthesized by reaction sintering of sol–gel-derived Ni/SiO₂ nanocomposite and commercially available micrometer-sized aluminum powder. The sintering was carried out at a temperature of 923 K and a pressure of 2.4 MPa. By a suitable choice of sintering conditions a disordered phase of Ni₃Al was stabilized. The disordered phase could be converted to an ordered one by an increase of heat treatment temperature.     

Is there a photon excess or photon deficit in the cosmic events?

Summary Bjorken predicted in the recent past about the large excess emission of photons in high-energy collisions and this was subsequently corroborated by some experimentalists as well. Obviously, this phenomenon is just opposite in nature to pro-centauro events marked by the production of photonless hadrons. In this note we will try to trace the outlines of this confusing and contradictory situation, probe quantitatively into this excess emission of photons (called progammaisation events) and compare them mainly with Bjorken's disoriented-chiral-condensate (DCC) model.     

On multimeron solutions of the classical Yang-Mills equation

The double-meron solution and the solution indicated by Protogenov [1] of the SU(2) Yang-Mills equation in four-dimensional euclidean space are generalised. It is noted that the double-meron solution has an analogous solution in Minkowski space which has a finite energy integral.     

Electroprotic reactions

Reactions involving the coupled transfer of electrons and protons are called electroprotic reactions. In this article we briefly describe some of our experiences with electroprotic reaction as a tool for executing interesting chemical transformations.     

Pattern formation of zinc nanoparticles in silica film by electrodeposition

Zinc nanoparticles were grown within gel-derived silica films by applying a direct current voltage. Pattern formation of metallic Zn was studied as a function of applied voltage and metal-silica ratio. Average particle size varied from 5.2 to 20.2 nm by changing the applied voltage and silica concentration. It was found that the transition from fractal to dendritic morphology was possible due to crystalline anisotropy. From high-resolution transmission electron microscopy images and X-ray diffraction pattern a possible model is proposed to explain this observation.     

Efficient dispersion tailoring by designing alternately arranged dispersion compensating fibers and fiber amplifiers to create self-similar parabolic pulses

The parabolic similariton pulse formation by alternate arrangements of passive and active dispersion compensating fibers (DCFs) is presented here. These combinations of passive and active DCFs with constant core radii and constant nonlinearities are suggested as equivalent profiles of a dispersion tailored fiber amplifier in normal dispersion regime. The dispersion tailored fibers, usually known as dispersion decreasing fibers (DDFs) in normal dispersion regime, are capable of producing linearly chirped parabolic self-similar pulses. The DDF is designed and optimized with proper choice of fiber parameters so that considerable variation of nonlinearity can be achieved, which in turn enhances the effective gain coefficient of the fiber. Inclusion of this nonlinear variation along the DDF amplifier length leads to obtain the simulated output pulses with very small misfit parameters with respect to perfect parabolic pulse at sufficiently reduced optimum length. At the same time to avoid the fabrication difficulties of the DDF, the alternately arranged passive and active DCFs are suggested as suitable alternatives of the DDF. The performances of the cascaded systems for generation of self-similar parabolic pulses are compared with that of the DDF amplifier as well as combined systems consisting of DCFs with equal gain. The results show that the proposed alternately arranged cascaded system with less pumping requirements, are efficient enough to produce similar parabolic pulses as compared to the previously designed DDF, even when considerable amount of splice loss at each joint is included.