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....     

Multi-analyte HPLC–DAD Method for Concurrent Analysis of Six Antimicrobials and Three Proton Pump Inhibitors Frequently used in Management of Helicobacter pylori Infection: Application to Simulated Intestinal Fluid Samples

Chromatographia - The present work deals with the optimization, validation and application of a versatile HPLC–DAD method for concurrent estimation of nine antimicrobials and proton pump...     

Role of Conformational Changes of Hexameric Bacterial Uridine Phosphorylases in Substrate Binding

Crystallography Reports - Crystals of mutants of uridine phosphorylase from Shewanella oneidensis MR-1 at the active-site threonine residue were obtained, and the three-dimensional structures of...     

Superquantiles at Work: Machine Learning Applications and Efficient Subgradient Computation

Set-Valued and Variational Analysis - R. Tyrell Rockafellar and his collaborators introduced, in a series of works, new regression modeling methods based on the notion of superquantile (or...     

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.     

New Cases of Homogeneous Integrable Systems with Dissipation on Tangent Bundles of Four-Dimensional Manifolds

Doklady Mathematics - The integrability of certain classes of homogeneous dynamical systems on the tangent bundles of four-dimensional manifolds is shown. The force fields involved in the systems...     

Correction to: Impact of leg bending in the patient-specific computational fluid dynamics of popliteal stenting

Acta Mechanica Sinica - A Correction to this paper has been published: https://doi.org/10.1007/s10409-021-01066-2     

Photoemission of Picosecond Electron Bunches with Large Charge in RF Guns

Physics of Atomic Nuclei - Emission of short electron bunches with high charge in RF guns is considered. The emission mechanism in the case of picosecond laser pulses and the presence of a strong...     

Preparation and Properties of Sr3B2O6:Dy3+, Eu3+ White Phosphors Using the High-Temperature Solid-State Method

Journal of Applied Spectroscopy - Sr3B2O6:Dy3+, Eu3+ single-matrix white-light-emitting materials are prepared using the high-temperature solid-state method. The microstructure, emission spectrum,...     

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.