Two-body T-matrix continued off the energy shell

A generalized parametrization scheme, which treats both half-shell and off-shell scattering on equal footing, is derived for the two-particle transition operator. The appropriate theory in respect of this is developed by using a wave function approach to off-shell scattering and the computational procedure to be followed is demonstrated by means of a model calculation.     

Combined variable-phase-off-shell scattering theory

We develop a first order linear differential equation for the fully off-shell scattering amplitude in terms of the cut-off radius of the local two-body interaction. The on- and half-off-shell equation of Calogero and of Sobel are derived as special cases. The input of our equation involves interpolating half off-shellT matrices parametrized by well known phase and quasiphase functions.     

Wave functions from an off-energy-shell generalisation of the Gordon’s method

An ansatz is introduced in the Gordon’s method for nonlocal separable potentials to construct expressions for off-shell wave functions associated with the physical, regular and standing wave boundary conditions. This method has certain calculational advantages and is particularly suitable for dealing with potentials of higher rank. Results obtained for the Mongan case IV potential agree with those derived by the complicated techniques.     

Many-body theory for simultaneous photoionization and photoexcitation of helium

Brueckner-Goldstone many-body perturbation theory is applied to study the simultaneous photoionization and photoexcitation (SSP) of helium. The results are used to examine the validity and limitations of other approaches to the problem. The oscillator strengths ($\text{d}\text{?}\text{?}$) for the transition 1s²→(2s ?p)¹P and 1s²→(2p ?s)¹P are compared with the results of Brown. The cross section for SPP at the photoexcitation threshold (65.399 eV) is found to be in agreement with the experimental result of Samson.     

Regioselective synthesis of N-beta-hydroxyethylaziridines by the ring-opening reaction of epoxides with aziridine generated in situ

[reaction: see text] Biologically important N-beta-hydroxyethylaziridine intermediates were conveniently prepared by regioselective ring-opening reactions of diversely substituted epoxides. Ethyleneimine generated in situ under basic conditions from beta-chloroethylamine was used as a nucleophile to open the epoxides in an aqueous environment.     

Experimental realization of quantum-resonance ratchets at arbitrary quasimomenta

Quantum-resonance ratchets associated with the kicked particle are experimentally realized for arbitrary quasimomentum using a Bose-Einstein condensate (BEC) exposed to a pulsed standing light wave. The ratchet effect for general quasimomentum arises even though both the standing-wave potential and the initial state of the BEC have a point symmetry. The experimental results agree well with theoretical ones which take into account the finite quasimomentum width of the BEC. In particular, this width is shown to cause a suppression of the ratchet acceleration for exactly resonant quasimomentum, leading to a saturation of the directed current.     

Synthesis and enzyme inhibitory activity of the s-nucleoside analogue of the ribitylaminopyrimidine substrate of lumazine synthase and product of riboflavin synthase

Lumazine synthase and riboflavin synthase catalyze the last two steps in the biosynthesis of riboflavin. To obtain structural and mechanistic probes of these two enzymes, as well as inhibitors of potential value as antibiotics, a sulfur analogue of the pyrimidine substrate of the lumazine synthase-catalyzed reaction and product of the riboflavin synthase-catalyzed reaction was designed. Facile syntheses of the S-nucleoside 5-amino-6-(D-ribitylthio)pyrimidine-2,4(1H,3H)-dione hydrochloride (15) and its nitro precursor 5-nitro-6-(D-ribitylthio)pyrimidine-2,4(1H,3H)-dione (14) are described. These compounds were tested against lumazine synthase and riboflavin synthase obtained from a variety of microorganisms. Compounds 14 and 15 were found to be inhibitors of both riboflavin synthase and lumazine synthase. Compound 14 is an inhibitor of Bacillus subtilis lumazine synthase (Ki 26 microM), Schizosaccharomyces pombe lumazine synthase (Ki 2.0 microM), Mycobacterium tuberculosis lumazine synthase (Ki 11 microM), Escherichia coli riboflavin synthase (Ki 2.7 microM), and Mycobacterium tuberculosis riboflavin synthase (Ki 0.56 muM), while compound 15 is an inhibitor of B. subtilis lumazine synthase (Ki 2.6 microM), S. pombe lumazine synthase (Ki 0.16 microM), M. tuberculosis lumazine synthase (Ki 31 microM), E. coli riboflavin synthase (Ki 47 microM), and M. tuberculosis riboflavin synthase (Ki 2.5 microM).     

A Halogen-Bond-Driven Artificial Chloride-Selective Channel Constructed from 5-Iodoisophthalamide-based Molecules

Despite considerable emphasis on advancing artificial ion channels, progress is constrained by the limited availability of small molecules with the necessary attributes of self-assembly and ion selectivity. In this study, a library of small molecules based on 5-haloisophthalamide and a non-halogenated isophthalamide were examined for their ion transport properties across the lipid bilayer membranes, and the finding demonstrates that the di-hexyl-substituted 5-iodoisophthalamide derivative exhibits the highest level of activity. Furthermore, it was established that the highest active compound facilitates the selective chloride transport that occurs via an antiport-mediated mechanism. The crystal structure of the compound unveils a distinctive self-assembly of molecules, forming a zig-zag channel pore that is well-suited for the permeation of anions. Planar bilayer conductance measurements proved the formation of chloride selective channels. A molecular dynamics simulation study, relying on the self-assembled component derived from the crystal structure, affirmed the paramount significance of intermolecular hydrogen bonding in the formation of supramolecular barrel-rosette structures that span the bilayer. Furthermore, it was demonstrated that the transport of chloride across the lipid bilayer membrane is facilitated by the synergistic effects of halogen bonding and hydrogen bonding within the channel.     

Design of an experimental set up for convective drying: experimental studies at different drying temperature

An experimental setup is designed to investigate the convective drying of moist object experimentally. All the design data, components of setup, materials and specifications are presented. Transient moisture content of a rectangular shaped potato slice (4 × 2 × 2 cm) is measured at different air temperatures of 40, 50, 60 and 70 °C with an air velocity of 2 m/s. Two different drying rate periods are observed. Results are compared with available results from literature.     

BODIPY based colorimetric fluorescent probe for selective thiophenol detection: theoretical and experimental studies

A BODIPY-based selective thiophenol probe capable of discriminating aliphatic thiols is reported. The fluorescence off-on effect upon reaction with thiol is elucidated with theoretical calculations. The sensing of thiophenol is associated with a color change from red to yellow and 63-fold enhancement in green fluorescence. Application of the probe for selective thiophenol detection is demonstrated by live cell imaging.