Blue Light-Induced Coupling of N-Hydroxy Sulfonamides: An Efficient and Green Approach to Symmetrical Thiosulfonates

Russian Journal of Organic Chemistry - A highly efficient green protocol has been proposed for the synthesis of symmetrical S-aryl arenesulfonothioates by irradiation of N-hydroxy arenesulfonamides...     

New Insights on Modern Age Coins by Calibration-Free Laser-Induced Breakdown Spectroscopy Method and Chemometric Approaches

Journal of Applied Spectroscopy - The elemental composition of one- and two-rupee coins issued in different years by the Reserve Bank of India (RBI) was investigated using laser-induced breakdown...     

Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP

The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat the oscillating thermal stress conditions during the infection, protein quality checks and protein homeostasis in the extra-cytoplasmic compartments, thereby establishing it as a potential target for drug development against malaria. Previous studies have shown that diisopropyl fluorophosphate (DFP) and the peptide SPMFKGV inhibit E. coli DegP protease activity. To identify novel potential inhibitors specific to PfDegP allosteric and the catalytic binding sites, we performed a high throughput in silico screening using Malaria Box, Pathogen Box, Maybridge library, ChEMBL library and the library of FDA approved compounds. The screening helped identify five best binders that showed high affinity to PfDegP allosteric (T0873, T2823, T2801, {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, CD00811) and the catalytic binding site (T0078L, T1524, T2328, BTB11534 and 552691). Further, molecular dynamics simulation analysis revealed {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, BTB11534 as the best hits forming a stable complex. WaterMap and electrostatic complementarity were used to evaluate the novel bio-isosteric chemotypes of {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, that led to the identification of 231 chemotypes that exhibited better binding affinity. Further analysis of the top 5 chemotypes, based on better binding affinity, revealed that the addition of electron donors like nitrogen and sulphur to the side chains of butanoate group are more favoured than the backbone of butanoate group. In a nutshell, the present study helps identify novel, potent and Plasmodium specific inhibitors, using high throughput in silico screening and bio-isosteric replacement, which may be experimentally validated.     

Inverse and saturation theorems for linear combination of modified Baskakov operators

In this paper, we consider linear combinations of modified Baskakov operators. By use of several lemmas, we obtain the inverse theorem (Theorem 1.1) and the saturation (Theorem 1.2) for those linear combinations.     

Stereoselective synthesis of 3,4-trans-disubstituted pyrrolidines and cyclopentanes via intramolecular radical cyclizations mediated by CAN

The stereoselective intramolecular cyclizations of bis(cinnamyl)tosylamides and dimethyl bis(cinnamyl)malonates mediated by cerium(IV) ammonium nitrate leading to the synthesis of 3,4-trans-disubstituted pyrrolidines and cyclopentanes are described.     

An efficient synthesis of isothiazolidines via sulfonium ylides formed by the reaction of thietanes and nitrene

An efficient synthesis of isothiazolidines in good yields is described.     

Total electron scattering cross sections for carbon dioxide at low electron energies

Absolute total electron scattering cross sections for carbon dioxide have been measured at low electron energies using a photoelectron source. The measurements have been carried out at 27 electron energies varying from 0.91–9.14 eV with an accuracy of ±3%. The cross sections obtained in the present experiment have been compared with other measurements and theoretical computations.     

Information recovery from black holes

We argue that if black hole entropy arises from a finite number of underlying quantum states, then any particular such state can be identified from infinity. The finite density of states implies a discrete energy spectrum, and, in general, such spectra are non-degenerate except as determined by symmetries. Therefore, knowledge of the precise energy, and of other commuting conserved charges, determines the quantum state. In a gravitating theory, all conserved charges including the energy are given by boundary terms that can be measured at infinity. Thus, within any theory of quantum gravity, no information can be lost in black holes with a finite number of states. However, identifying the state of a black hole from infinity requires measurements with Planck scale precision. Hence observers with insufficient resolution will experience information loss. First Award in the 2006 Essay Competition of the Gravity Research Foundation.