Advances in the computational analysis of SARS-COV2 genome

Nonlinear Dynamics - Given a data-set of Ribonucleic acid (RNA) sequences we can infer the phylogenetics of the samples and tackle the information for scientific purposes. Based on current data and...     

Behavior of Andreev states for topological phase transition

Theoretical and Mathematical Physics - We consider three one-dimensional superconducting structures: 1) the one with $$p$$ -wave superconductivity; 2) the main experimental model of a nanowire with...     

Prospects for Solving the Muon Puzzle on the NEVOD-DECOR-TREK Complex

Physics of Atomic Nuclei - The muon puzzle is an excess of muon bundles generated by primary cosmic rays (PCR) at energies above 10 $${}^{17}$$ eV compared to estimations that assume even a heavy...     

Mesomorphism of Dichotomous Compounds; X-Ray Diffraction Analysis of 4-Chlorophenyl Hexadecyl Ether

Crystallography Reports - The crystal and molecular structures of Cl–C6H4–O–C16H33 (I) have been studied, and its differential scanning calorimetry (DSC) study is performed....     

A Refined Model of Viscoelastic-Plastic Deformation of Flexible Plates with Spatial Reinforcement Structures

Journal of Applied Mechanics and Technical Physics - A refined model of viscoelastic-plastic deformation of flexible plates with spatial reinforcement structures has been developed. Strains of the...     

Crystallization and Preliminary X-Ray Diffraction Study of the C-Terminal Fragment of Myomesin-2

Crystallography Reports - The recombinant С-terminal fragment of myomesin-2 was purified to a homogeneous state. The crystallization conditions for the С-terminal fragment of myomesin-2...     

Secondary Metabolites of Litchi chinensis

Chemistry of Natural Compounds -     

Chemistry of Pentafluorosulfanyl Derivatives and Related Analogs: From Synthesis to Applications

Pentafluorosulfanyl (SF₅)-containing compounds and corresponding analogs are a highly valuable class of fluorine-containing building blocks owing to their unique properties. The reason for that is the set of peculiar and tremendously beneficial characteristics they can impart on molecules once introduced onto them. Despite this, their application in distinct scientific fields remains modest, given the extremely harsh reaction conditions needed to access such compounds. The recent synthetic approaches via S−F, and C−SF₅ bond formation as well as the use of SF₅-containing building blocks embody a “stairway-to-heaven” loophole in the synthesis of otherwise-inaccessible chemical scaffolds only a few years ago. Herein, we report and evaluate the properties of the SF₅ group and analogs, by summarizing synthetic methodologies available to access them as well as following applications in material science and medicinal chemistry since 2015.     

Mechanism of BPh3-Catalyzed N-Methylation of Amines with CO2 and Phenylsilane: Cooperative Activation of Hydrosilane

BPh₃ catalyzes the N-methylation of secondary amines and the C-methylenation (methylene-bridge formation between aromatic rings) of N,N-dimethylanilines or 1-methylindoles in the presence of CO₂ and PhSiH₃; these reactions proceed at 30–40 °C under solvent-free conditions. In contrast, B(C₆F₅)₃ shows little or no activity. ¹¹B NMR spectra suggested the generation of [HBPh₃]⁻. The detailed mechanism of the BPh₃-catalyzed N-methylation of N-methylaniline ( 1 ) with CO₂ and PhSiH₃ was studied by using DFT calculations. BPh₃ promotes the conversion of two substrates (N-methylaniline and CO₂) into a zwitterionic carbamate to give three-component species [Ph(Me)(H)N⁺CO₂⁻⋅⋅⋅BPh₃]. The carbamate and BPh₃ act as the nucleophile and Lewis acid, respectively, for the activation of PhSiH₃ to generate [HBPh₃]⁻, which is used to produce key CO₂-derived species, such as silyl formate and bis(silyl)acetal, essential for the N-methylation of 1 . DFT calculations also suggested other mechanisms involving water for the generation of [HBPh₃]⁻ species.     

Developing Flexible Quinacridone-Derivatives-Based Photothermal Evaporaters for Solar Steam and Thermoelectric Power Generation

Solar-driven interfacial vaporization by localizing solar-thermal energy conversion to the air−water interface has attracted tremendous attention. In the process of converting solar energy into heat energy, photothermal materials play an essential role. Herein, a flexible solar-thermal material di-cyan substituted 5,12-dibutylquinacridone (DCN−4CQA)@Paper was developed by coating photothermal quinacridone derivatives on the cellulose paper. The DCN−4CQA@Paper combines desired chemical and physical properties, broadband light-absorbing, and shape-conforming abilities that render efficient photothermic vaporization. Notably, synergetic coupling of solar-steam and solar-electricity technologies by integrating DCN−4CQA@Paper and the thermoelectric devices is realized without trade-offs, highlighting the practical consideration toward more impactful solar heat exploitation. Such solar distillation and low-grade heat-to-electricity generation functions can provide potential opportunities for fresh water and electricity supply in off-grid or remote areas.