Analysis of the spatial structure of calixarenes in solutions by 2-D NMR (NOESY) spectroscopy

The spatial structure of calixarenes has been investigated by two-dimensional nuclear Overhauser effect spectroscopy (NOESY). A technique to study spatial structure of small molecules based on the combination of the method of small relaxation delays (Fast NOESY) and the method to measure relative cross-peak intensities has been proposed and approved. The given combination of methods allows one at a fixed time to reach a greater accuracy of measurements in comparison with other methods. © Springer-Verlag 2006

Supramolecular complex formed by DNA oligonucleotide and thiacalix[4]arene. NMR-spectroscopy and molecular docking

The combination of NMR-spectroscopy and molecular docking was applied to investigate the complexation of thiacalix[4]arene with DNA. We have studied the structure of supramolecular complex formed by palindromic decamer DNA d(GCGTTAACGC)2 and tetrasubstituted at lower rim of p-tert-butyl thiacalix[4]arene in 1,3-alternate conformation. With the help of NMR it is shown that oligonucleotide in solution exists in two states: double-stranded helix (dominant structure in solution) and single-stranded form (minor structure) rolled up in a "hairpin" with equilibrium between them. Both complementary methods, NMR and molecular docking, revealed the formation of molecular complex by thiacalix[4]arene and palindromic decamer DNA. Different possible conformations of the complexes were analyzed by means of molecular docking. We used the experimental constraints in molecular docking to identify the complexes, which were in agreement with the NMR data. © 2014 Elsevier B.V. All rights reserved

The features of the language of representation of humour in the texts of American and Russian stand-up comedians

Based on the definition of the research object and the subject of sociolinguistics, which is considered an independent scientific discipline, in this article we assume to study the features of the language representation and perception of humour in performances of stand-up comedians from American and Russian linguocultures. We will also consider the similarities and differences of the topics of the texts of American and Russian comedians. In consideration of the genre of special interest is the attitude of the audience (in fact - the society) to the obscene and non-obscene language ("black humor"; "jokes below the belt", etc.) used by stand-up comedians in their performances in the United States and Russia. The relevance of this study is related to the overall underexplored genre"standup" fromlinguistics point of view and originality of their language. Research methodology –set of methods of textual, contextual, linguistic and linguostylistic analysis of the content of the texts of public performances ofthe comedians in the United States and Russia. Material for the study consists of texts of performances of stand-up comedians. The results of our research will help to identify the specifics of the language means of representation of humour in the texts of stand-up comedians.Key words: text, research, speech, language, translation, humour, linguistics, linguoculture,sociolinguistics

New materials based on tubular nanodimensional structures 1. Synthesis, structural studies and determination of interproton distances in solutions of functionalized thiacalix[4]arenes according to NMR spectroscopic data (NOESY)

New derivatives of p-tert-butylthiacalix[4]arene were synthesized. The conformation of the macrocycles and interproton distances in the synthesized thiacalix[4]arenes in solutions were determined by NMR spectroscopy. p-tert-Butylthiacalix[4]arene distally disubstituted at the lower rim adopts the cone conformation, and the tetrasubstituted products are formed in the 1,3-alternate conformation. © 2004 Springer Science+Business Media, Inc

Coordination mode of the zinc(II) and cadmium(II) cations with N-(diisopropoxyphosphoryl)thiobenzamide

Reaction of the potassium salt of N-(diisopropoxyphosphoryl)thiobenzamide (iPrO)2P(O)NHC(S)C6H5 (HL) with ZnII and CdII cations in aqueous EtOH leads to three different complexes: [Zn(L-O,S)2] (1), [Cd2(L-O,S)4] (2) and [Cd(HL-O)2(L-O,S)2] (3). The structures of these compounds were investigated by single-crystal X-ray diffraction analysis, EI-MS and ES-MS, IR, 1H, 13C and 31P NMR spectroscopy and microanalysis. The zinc(II) atom in complex 1 is in a distorted tetrahedral ZnO2S2 environment formed by the C=S sulfur atoms and the P=O oxygen atoms of two deprotonated ligands. The cadmium(II) complex 2 is centrosymmetric and consists of dimeric species. Two [Cd(L-O,S)2] moieties are connected by two bridging [S-Cd-S] units through the sulfur atoms of the ligand C=S groups. Complex 2 has a distorted trigonal-bipyramidal Cd(Oax)2(Seq)3 core. Complex 3 has a tetragonal-bipyramidal environment, Cd(Oax)2(O eq)2(Seq)2, and two neutral ligand molecules are coordinated in the axial positions through the oxygen atoms of the P=O groups. The base of the bipyramid is formed by two anionic ligands in a typical 1,5-O,S coordination mode. The ligands are in a trans configuration. © Wiley-VCH Verlag GmbH & Co. KGaA, 2006

Gamma knife radiosurgery for Trigeminal Neuralgia. ? Case Report ?

We present two cases with trigeminal neuralgia who underwent gamma knife radiosurgery. Case 1 : 72 years old female suffered from left trigeminal neuralgia. Medical treatment and nerve block were not effective. She underwent gamma knife radiosurgery with a single shot with a maximum dose of 80Gy focused on the root entry zone of the left trigeminal nerve. After the treatment, she showed incomplete pain relief (about 25%). But 6 months after the treatment, she felt intractable pain again, so she underwent microvascular decompression. Case 2: 68 years old female suffered from right trigeminal neuralgia. The effective periods of medical treatment was too short. She underwent gamma knife radiosurgery with a single shot with a maximum dose of 75Gy focused on the same site as Case 1 of the right trigeminal nerve. At 7 months after the treatment, she revealed almost complete pain free and drug free. It has been reported the pain control rate of gamma knife radiosurgery for trigeminal neuralgia is 90-94% and the complication rate is 6-10%. Although the long-term evaluations will be needed, this method seems to be effective and safe treatment for trigeminal neuralgia

The use of a lyotropic liquid-crystalline medium and residual dipolar coupling constants for determination of the spatial structure of thiacalix[4]arenes in solutions

The possibility of using an approach for the elucidation of the spatial structure of functionalized thiacalix[4]arenes based on the determination the residual dipolar coupling constants between the 1H and 13C nuclei separated by one chemical bond ( 1D CH) in lyotropic liquid-crystalline media (poly-γ-benzyl-L-glutamate and CDCl 3) is demonstrated for the first time. This approach was used to distinguish between the cone and 1,3-alternate conformations of 5,11,17,23-tetra-tert-butyl- 25,26,27,28-tetrakis(2-oxopropyloxy)-2,8,14,20-tetrathiacalix[4]arene. The results were confirmed by the data from 2D NMR ( 1H - 1H) NOESY experiments for these compounds in an isotropic solvent (CDCl 3)

Dynamic behaviour of the complex [Ni{PhC(S)NP(O)(OPri)2-O,S}2-{PhC(S)NHP(O)(OPri)2-O}2] in deuterotrichloromethane

The title complex has been studied by 1H and 31P NMR spectroscopy and found to undergo reversible dissociation of its neutral ligands and interconversion of its neutral and anionic ligands; the kinetic parameters of these processes and the crystal structure of the complex were determined; a new ligand exchange mechanism with unusual high spin-low spin transition during the ligand dissociation was suggested. © 2008

NMR structure, conformational dynamics, and biological activity of PsDef1 defensin from Pinus sylvestris

© 2017 Elsevier B.V.Plants have developed a complex defense response system against pests and pathogens. Defensins, produced by plants as part of their innate immune response, form the family of small, basic, cysteine-rich proteins with activity primarily directed against fungal pathogens. In addition, plant defensins can show antibacterial activity and protease and insect amylase inhibitory activities. However, in gymnosperms, only antifungal activity of defensins has been described thus far. Here, we report antibacterial and insect α-amylase inhibition activities for defensin PsDef1 from P. sylvestris, the first defensin from gymnosperms with a broad range of biological activities described. We also report the solution NMR structure of PsDef1 and its dynamics properties assessed by a combination of experimental NMR and computational techniques. Collectively, our data provide an insight into structure, dynamics, and functional properties of PsDef1 that could be common between defensins from this taxonomic group