PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity

Molecular Diversity - Hypertension is a medical condition that affects millions of people worldwide. Despite the high efficacy of the current antihypertensive drugs, they are associated with...     

Infinitely Many Solutions of Nonlocal Kirchhoff-Type Equations via Perturbation Methods

Mathematical Notes - We study the multiplicity of weak solutions to the boundary-value problem $$\begin{alignedat}{2} - M\biggl(\iint_{\mathbb R^{2N}}|u(x)-u(y)|^2 K(x-y)\,d x\,d y\biggr)\mathscr...     

Synthesis of Polyol Tetrabromophthalate and Its Use as a Component for Preparing Foamed Polyurethanes of Reduced Flammability

A procedure was suggested for preparing brominated polyols of reduced viscosity for the synthesis of foamed polyurethanes of reduced flammability. The flame-retarding action of the synthesized polyol tetrabromophthalate in polyurethane was studied in comparison with that of other widely used flame retardants. Evaluation of the effect exerted on the flammability of the polurethane compound by the polyol tetrabromophthalate synthesized, melamine, and aluminum hydroxide shows that all the samples containing flame retardants are self-extinguishing. The shortest combustion time was observed for the sample containing 6% polyol tetrabromophthalate synthesized. The sample containing as a flame retardant additive solely the synthesized polyole tetrabromophthalate also exhibits the highest performance as a heat-insulating material from the viewpoint of thermal conductivity.

     

Broadening and Shift of the D1 and D2 Lines of Rb Atoms by Neon: Resolving Hyperfine Components in a Half-Wave Cell Using Double Differentiation with Respect to Frequency

Optics and Spectroscopy - A cell with a submicron thickness was used to measure the broadening and shift of the D1 and D2 lines of Rb atoms by neon. The resolution of hypefine components...     

On the Distributivity and Modularity Properties of the Lattice of Fitting Classes

Mathematical Notes - It is proved that the lattice of all Fitting classes of finite groups is not distributive, and conditions under which Fitting classes satisfy the distributive and modular laws...     

Strategies in boosting photosensitization for biomedical applications

Science China Chemistry -     

A Comparison of Neutron Identification Methods in Inorganic ZnS-based Scintillators

Physics of Atomic Nuclei - The paper presents a comparison of three neutrons identifying methods in scintillators based on ZnS with 6Li and 10B: charge integration method, pulse gradient analysis,...     

Kinetics and Mechanism of the Reaction of Triphenylphosphine with Methyl Vinyl Ketone

Russian Journal of General Chemistry - Kinetics of the reaction of triphenylphosphine with methyl vinyl ketone has been studied using the stopped flow technique. The experimental data have...     

Spectroscopy of Zinc Oxide Thin Films near the Fundamental Absorption Edge

Optics and Spectroscopy - The optical absorption spectra of zinc oxide (ZnO) thin films formed by reactive cathode sputtering are studied. The observed absorption of light in the region of photon...     

Theoretical and experimental studies on optically tunable hydrogen bonded liquid crystal complex derived from mesogenic and non-mesogenic aromatic compound

A novel hydrogen bonded liquid crystal (HBLC) complex is synthesized from non-mesogenic benzylmalonic acid (BMA) and mesogenic 4-nonyloxybenzoic acid (9OBA). Structural properties and optimized vibrational frequencies of BMA + 9OBA have been studied by FT-IR spectrum. The weak intermolecular interaction between the molecules is proved by NBO and Mulliken charge distribution analysis. The optical and thermal properties are investigated by POM, DSC, UV-Visible and PL techniques. The present HBLC complex exhibits schlieren textures of nematic, broken focal conic texture of smectic C and multicolored mosaic texture of smectic G phases respectively which is not observed in the pure mesogen (9OBA). The HBLC complex geometry is optimized by DFT method at the level of B3LYP basis set 6311G (d, p). The electronic properties of HBLC complex such as, NBO, HOMO-LUMO, ESP and Mulliken charge distribution are also studied. A noteworthy observation is brought out by identifying the presence of photoluminescence in nematic phase due to the variation in intermolecular interaction of the mesophase. The utility of the same complex is discussed. The phase width, thermal stability factor, tilt angle, phase transition temperature and its enthalpy values are reported.