Topological shape and size of peptides: identification of potential allele specific helper T cell antigenic sites

A database of primary sequences of 28 immunogenic peptides, known to elicit T cell response, derived from five different haplotypes was compiled to identify allele specific helper T cell antigenic sites using a rule based graph-theoretical method. The prediction was based on the identification of allele specific patterns in the form of "topological shape and size" present in the peptides. Indices computed from weighted connected graph models of amino acid side chains and peptides were used in this purpose. The system was trained by 10 Ad and 10 non-Ad restricted peptide sequences, assigned actives and inactives, respectively, chosen randomly from the database, and four Ad and four non-Ad restricted sequences were kept as test peptides. This allowed the system to learn about "topological shape and size" specific for Ad restricted peptides from the differences, if any, they had with the inactive peptides in that respect. The system made 100% correct prediction for the training set peptides and misclassified only one inactive peptide of the test set. The system also identified crucial residues for lambda repressor 12-24 and insulin A-chains. This identification also shows that activity related/crucial residues could be located at varying distances from the peptide terminals. To our knowledge, the method is unique of its kind in the literature and may find application in the rational design of synthetic vaccines and other peptides of immunological importance.     

Carbon Dots Derived from Waste Psidium Guajava Leaves for Electrocatalytic Sensing of Chlorpyrifos

Carbon dots (CDs) modified GCE was used for the electrochemical sensing of Chlorpyrifos (CHL). The hydrothermal synthesis (200 °C for 10 h) produced CDs of 3.7 nm using Psidium guajava leaves. Square wave voltammetry was employed for the determination of CHL and the electrokinetic parameters. The reduction of CHL involved an irreversible two-electron process with heterogeneous reaction rate (k°) and formal potential (E°) of 1.21 s⁻¹ and −1.34 V respectively. The modified GCEs exhibited good repeatability (RSD 4.7 %), reproducibility (RSD 1.17 %), and sensitivity (1.30 mA μM⁻¹ cm⁻²). The detection limit and linear ranges were 1.5 nM and 0.01–1 μM, respectively. Electrochemical sensing of CHL was comparable with the HPLC (∼5 % variation).     

Development and evaluation of a plastic scintillating resin for radioactive tin determination

Journal of Radioanalytical and Nuclear Chemistry - In the next few years, a large number of nuclear facilities will be closed. This will involve the measurement of large amounts of nuclear wastes...     

Chalcogels: porous metal-chalcogenide networks from main-group metal ions. Effect of surface polarizability on selectivity in gas separation

We report the synthesis of metal-chalcogenide gels and aerogels from anionic chalcogenide clusters and linking metal ions. Metal ions such as Sb(3+) and Sn(2+), respectively chelated with tartrate and acetate ligands, react in solution with the chalcogenide clusters to form extended polymeric networks that exhibit gelation phenomena. Chalcogenide cluster anions with different charge densities, such as [Sn(2)S(6)](4-) and [SnS(4)](4-), were employed. In situ rheological measurements during gelation showed that a higher charge density on the chalcogenide cluster favors formation of a rigid gel network. Aerogels obtained from the gels after supercritical drying have BET surface areas from 114 to 368 m(2)/g. Electron microscopy images coupled with nitrogen adsorption measurements showed the pores are micro (below 2 nm), meso (2-50 nm), and macro (above 50 nm) regions. These chalcogels possess band gaps in the range of 1.00-2.00 eV and selectively adsorb polarizable gases. A 2-fold increase in selectivity toward CO(2)/C(2)H(6) over H(2) was observed for the Pt/Sb/Ge(4)Se(10)-containing aerogel compared to aerogel containing Pt(2)Ge(4)S(10). The experimental results suggest that high selectivity in gas adsorption is achievable with high-surface-area chalcogenide materials containing heavy polarizable elements.     

Design of a fused triazolyl 2-quinolinone unnatural nucleoside via tandem CuAAC-Ullmann coupling reaction and study of photophysical property

This report presents the design and synthesis of a novel fused triazolyl 2-quinolinone (FTQuon) nucleoside as a new generation of angularly widened unnatural nucleobase surrogate with two possible H-bonding faces-one H-bond acceptor and another donor. The synthesis via a tandem CuAAC-Ullmann coupling, the study of photophysical properties and theoretical calculation in the context of DNA are the main contents of this report. The newly designed nucleoside shows interesting photphysical property with slight blue shifted solvatochromicity. It also shows pH sensitive emission. All the theoretical DNA duplexes containing the FTQuon show right?handed B-form helicity as revealed from a molecular dynamics simulation using Schrodinger Macromodel. A theoretical (DFT) study indicates a good stabilizing property of FTQuon via pairing with natural pyrimidine bases. It also shows good interaction property with BSA protein signalled via a switch on fluorescence response.     

A Convenient Method for the Synthesis Of Tröger's Base Analogues

Para substituted anilines have been converted to Tröger's base analogues by refluxing with a mixture of methylal and methanesulfonic acid.     

Probing the surface states in nano ZnO powder synthesized by sonication method: Photo and thermo-luminescence studies

Zinc oxide, a transparent conducting oxide, has been synthesized in a novel route by application of continuous and pulsed mode ultrasonication. The powders prepared in this method are found to be nano particles of 24 and 20 nm respectively. The behaviour of two powders is found to be different when X-ray diffraction, photoluminescence, and Fourier transform infrared spectra were recorded. The thermo luminescence behaviour was also found to be different. It has been possible to incorporate H ion into the system by sonication process. Surface states created by sonication process are found to influence the photo and thermo luminescence of the system.     

Determination of gold by substoichiometric extraction with N-thioacetyl benzamide

Estimation of gold has been successfully carried out by substoichiometric radiochemical solvent extraction method using a newly designed organic moiety, N-thioacetyl benzamide as extractant and chloroform as solvent at aqueous pH 4. The interference effects of different closely related diverse ions like Fe(III), Cu(II), Co(II), Zn(II), Ni(II) etc. were also critically studied. The validity of this method has been verified by the study of recovery of gold in mud samples.