Ab initio calculation of ESCA satellite intensities for a copper–chlorine complex

Ab initio SCF calculations carried out on the planar cluster CuCl₄^2? suggest that the strong satellites at the high-binding energy side of inner-shell ESCA lines of Cu are due to charge relaxations in the σ-bonding orbitals which mix with Cu 3d. The satellite state with the largest intensity may be described as a one-electron excitation Cu 3d → Cl 3p.     

SERRS study of [Ru(CN)<Subscript>5</Subscript>(pyS)]<Superscript>4−</Superscript> SAM and cytochrome c: A suggestion toward the heterogeneous molecular recognition

Surface-Enhanced Raman Scattering (SERS) spectra of [Ru(CN)₅(pyS)]⁴⁻ (RupyS) complex self-assembled monolayer (SAM) were obtained on gold and silver surfaces at 632.8 and 413.1 nm excitation radiations, respectively. The bands assigned to the heme iron of the cytochrome c (cyt c) metalloprotein group were observed by using the RupyS SAM on silver at 413.1 nm. The Surface-Enhanced Resonance Raman Scattering (SERRS) spectra of the RupyS SAM on silver in the cyt c solution obtained at −0.2 and +0.2 V present bands at 1,365 and 1,374 cm⁻¹ characteristic of the heme group, indicating the reduced and oxidized states of this protein, respectively. The bands observed at 1,464, 1,504, and 1,638 cm⁻¹ are used to confirm the redox state of cyt c. The presence of the oxidized and reduced bands in function of different applied potential is an evidence that the protein is interacting with the modifier. This paper is dedicated to Prof. Francisco Nart, in memoriam.     

On the maximum modulus of integers in Kummer extensions

Acta Mathematica Hungarica - We study the extension of a result of Loxton [5] on representation of algebraic integers as sums of roots of unity to Kummer extensions.     

Extension of SINDO1 to transition metal compounds

The semiempirical MO method SINDO1, originally suitable for first- and second-row atoms, is extended to transition metals from scandium to zinc. The core Hamiltonian elements in a symmetrically orthogonalized atomic orbital (OAO) basis set are modified and the parameters are optimized to reproduce the experimental geometries, heats of formation, and ionization potentials. An application of the method to a selected number of molecules, as well as a comparison between calculated and experimental data is reported.     

A capillary electrophoresis chip for the analysis of print and film photographic developing agents in commercial processing solutions using indirect fluorescence detection

The separation and detection of both print and film developing agents (CD-3 and CD-4) in photographic processing solutions using chip-based capillary electrophoresis is presented. For simultaneous detection of both analytes under identical experimental conditions a buffer pH of 11.9 is used to partially ionise the analytes. Detection is made possible by indirect fluorescence, where the ions of the analytes displace the anionic fluorescing buffer ion to create negative peaks. Under optimal conditions, both analytes can be analyzed within 30 s. The limits of detection for CD-3 and CD-4 are 0.17 mM and 0.39 mM, respectively. The applicability of the method for the analysis of seasoned photographic processing developer solutions is also examined.     

Conductance distributions in quasi-one-dimensional disordered wires

A detailed analysis of the distribution of conductances P(g) of quasi-one-dimensional disordered wires in the metal-insulator crossover is presented. P(g) obtained from a Monte Carlo solution of the Dorokhov, Mello, Pereyra, and Kumar (DMPK) scaling equation is in full agreement with "tight-binding" numerical calculations of bulk disordered wires. Perturbation theory is shown to be valid even for mean dimensionless conductances of the order of 1. In the crossover regime <, similar 1, P(g) presents a sharp feature at g=1 which is different from that observed in surface disordered wires.