MPT versus: A manifestly covariant presentation of motion reversal and particle-antiparticle exchange

We show that particle-antiparticle exchange and covariant motion reversal are two physically different aspects of the same mathematical transformation, either in the prequantal relativistic equation of motion of a charged point particle, in the general scheme of second quantization, or in the spinning wave equations of Dirac and of Petiau-Duffin-Kemmer. While, classically, charge reversal and rest mass reversal are equivalent operations, in the wave mechanical case mass reversal must be supplemented by exchange of the two adjoint equations, implying .Denoting by M the rest mass reversal, P the parity reversal, T the Racah time reversal, and Z the exchange, the connection with the usual scheme of charge conjugation, parity reversal, and Wigner motion reversal, is with, of course,     

Simultaneous spectrophotometric determination of cadmium, copper and zinc

A method for the simultaneous spectrophotometric determination of cadmium, copper and zinc based on the formation of their complexes with 1,5-bis(di-2-pyridylmethylene)thiocarbonohydrazide is proposed. The absorption curves of these complexes overlap severely in the scanning range 380–480 nm. The analyte concentrations are calculated by a least squares fit of the pure spectra to the mixture spectra. A linear determination range of 0.1–1.7 μg/ml for cadmium, 0.1–1.3 μg/ml for copper and 0.2–1.2 μg/ml for zinc were obtained. The effect of interference was studied. The method has been applied to the determination of these metal ions in various type of materials.     

High-performance liquid chromatography with on-line coupled UV, mass spectrometric and biochemical detection for identification of acetylcholinesterase inhibitors from natural products

A high-performance liquid chromatography (HPLC) method with on-line coupled ultraviolet (UV), mass spectrometry (MS) and biochemical detection for acetylcholinesterase (AChE) inhibitory activity has been developed. By combining the separation power of HPLC, the high selectivity of biochemical detection, and the ability to provide molecular mass and structural information of MS, AChE inhibitors can be rapidly identified. The biochemical detection was based on a colorimetric method using Ellman's reagent. The detection limit of galanthamine, an AChE inhibitor, in the HPLC-biochemical detection is 0.3 nmol. The three detector lines used, i.e., UV, MS and Vis for the biochemical detection were recorded simultaneously and the delay times of the peaks obtained were found to be consistent. This on-line post-column detection technique can be used for the identification of AChE inhibitors in plant extracts and other complex mixtures such as combinatorial libraries.     

Isolation and Absolute Configuration of β,β-Carotene Diepoxide

The 5,6:5′,6′-diepoxy-5,6:5′,6;-tetrahydro-β,β-carotene, isolated from tubers of a white-fleshed variety of sweet potato (Ipomoea batatas LAM .) has been assigned the (5R,6S,5′R,6′S)-chirality on the basis of its HPLC, UV/VIS, and CD data.     

Manganese pentacarbonyl bromide as candidate for a molecular qubit system operated in the infrared regime

Our concept for a quantum computational system is based on qubits encoded in vibrational normal modes of polyatomic molecules. The quantum gates are implemented by shaped femtosecond laser pulses. We adopt this concept to the new species manganese pentacarbonyl bromide [MnBr(CO)5] and show that it is a promising candidate in the mid-infrared (IR) frequency range to connect theory and experiment. As direct reference for the ab initio calculations we evaluated experimentally the absorption bands of MnBr(CO)5 in the mid-IR as well as the related transition dipole moments. The two-dimensional potential-energy surface spanned by the two strongest IR active modes and the dipole vector surfaces are calculated with density-functional theory. The vibrational eigenstates representing the qubit system are determined. Laser pulses are optimized by multitarget optimal control theory to form a set of global quantum gates: NOT, CNOT, Pi, and Hadamard. For all of them simply structured pulses with low pulse energies around 1 microJ could be obtained. Exemplarily for the CNOT gate we investigated the possible transfer to experimental shaping, based on the mask function for pulse shaping in the frequency regime as well as decomposition into a train of subpulses.     

Quelques considérations sur la structure électronique du naphtalène

Theπ electronic structure of naphtalene is studied, using a semi-empirical approximation for coulombic and resonance integrals; forH andS (H, hamiltonian;S, overlap) the complete matrices are adopted, together withKohlrausch's nuclear effective charges. A non uniform charge distribution is obtained, with charge accumulation at the tertiary carbons. Bond orders between non neighboring atoms indicate contributions to the fundamental state from other structures besides the classical ones. A comparative study of the obtained interatomic distances is carried. It is shown that [H, S]=0 is not a sufficient condition for the identity of the bond orders for the fundamental state calculated with and without overlap.     

Silica-supported PtSn alloy doped with Ga, In or, Tl: Characterization and catalytic behaviour in n-hexane dehydrogenation

Silica-supported trimetallic catalysts containing Pt, Sn and a group 13 metal (PtSnM, M=Ga, In, Tl) were prepared by consecutive impregnation steps from cis-[PtCl₂(PPh₃)₂] and chloride precursors. X-ray diffraction (XRD), transmission electron microscopy (TEM), selected-area electron diffraction (ED) and energy dispersive X-ray analysis (EDX) showed large platelet-like particles of PtSn_1−xM_x phases. PtSnGa catalyst with a Pt/(Sn+Ga) molar ratio of 1.72 showed a bimodal particle distribution and a Pt phase was identified. Differences in surface structures were also revealed by the performance of catalysts in the dehydrogenation of n-hexane. For PtSnIn and PtSnTl (Pt/(Sn+M) molar ratio of about 1) the dehydrogenation was favoured. In contrast, PtSnGa catalyst yielded hydrogenolysis products. Photoelectron spectra showed the Pt 4f_7/2 level at a binding energy of 70.0–71.8 eV in all cases. Moreover, the FT-IR spectra of chemisorbed CO on the PtSnGa showed a slight shift in the ν(CO) toward higher values with respect to the monometallic catalyst, pointing to an electronic effect in accordance with photoelectron spectroscopy.