The mass spectrum of 1:12, 2:3, 4:5, 6:7, 8:9, 10:11-hexabenzocoronene

The mass-spectra of 1:12, 2:3, 4:5, 6:7, 8:9, 10:11-hexabenzocoronene and the isomer 1:2, 3:4, 5:6, 7:8, 9:10, 11:12-hexabenzocoronene have been examined. The former is typically that of an aromatic conjugated hydrocarbon and is sparse, the latter is more intense. It is conjectured that the former may be found in interstellar space.     

ChemInform Abstract: Syntheses,Structures, Physical Properties,and Electronic Structures of Ba2MLnTe5 (M: Ga and Ln: Sm,Gd, Dy,Er, Y; M: In and Ln: Ce,Nd, Sm,Gd, Dy,Er, Y).

The title compounds are synthesized by solid state reactions of BaTe, Ga₂Te₃ or In₂Te₃, Ln, and Te (1273—1323 K, 20—48 h) and characterized by single crystal XRD, diffuse reflectance spectroscopy, magnetic susceptibility measurements, second harmonic generation measurements, and DFT electronic structure calculations.     

Porphyrazines: synthesis,properties, application

The data on the synthesis, properties, and practical application of porphyrazines (tetraazaporphines), the nearest structural analogs of porphyrins and phthalocyanines, have been systematized.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2320–2336, December, 1995.This work was financially supported by the Russian Government and the International Science Foundation (Grant No. MEY300).     

Chloromethylstyrene: Synthesis,Polymerization, Transformations,Applications

Abstract

Although scarcely used before 1972, chlororaethylstyrenes (ortho, meta, and para) have been the subject of an increasing number of publications and patents since then: 5 publications in 1972, 22 in 1973, 29 in 1976. The yearly average is now about 40 publications.     

ChemInform Abstract: X2Y2 Isomers: Tuning Structure and Relative Stability Through Electronegativity Differences (X: H,Li, Na,F, Cl,Br, I; Y: O,S, Se,Te).

Density functional calculations on XYYX and X₂YY isomers of the X₂Y₂ species (X: H, Li, Na, F, Cl, Br, I; Y: O, S, Se, Te) show that the XYYX isomers are more stable than the X₂YY forms except for X = F and Y = S and Te, for which the F₂SS and F₂TeTe isomers are slightly more stable.     

Hydration forces: Observations, explanations, expectations, questions

The hydration force between large molecules or large surfaces is built on weak perturbation of many solvent molecules. The structure of the surface sets boundary conditions on solvent while structural forces within the solvent set the range. For this collection of essays, we focused on forces between surfaces at nanometer separations. It is instructive to distinguish primary hydration, the binding of water and perturbation within a few layers, from secondary hydration related to redistribution of solutes. The subject is still basically empirical, lacking satisfactory theory and sufficient measurement.     

Circobiphenyl and the attempted synthesis of 1:14, 3:4, 7:8, 10:11-tetrabenzoperopyrene

A reducing condensation of naphthanthrone (2) gave the isomeric dinaphthoperopyrenes 3, 4 and 5, besides (circobiphenyl (7). Tetrabenzoperopyrene (1) was not formed. An attempt to synthesize it from 2,5-dimethylterephthalic acid failed.     

Review: A gentle introduction to magnetism: units,fields, theory,and experiment

We present an introduction to the workings, units of measure, and general properties of magnetic materials. This is intended as a “primer to interpretation of magnetic data” for those who are entering the field, or those who are encountering magnetic measurements in the literature. We expect this work will serve as an initial guide to the reader to familiarize them with the basics in the hope that those working in the field of magnetochemistry will wish to explore additional, more detailed literature as their specific investigations demand. Topics covered include: magnetic fields and units (SI and cgs), paramagnetism (magnetization and magnetic susceptibility), Curie and Curie–Weiss behavior, magnetic exchange interactions, magnetic anisotropy, dimeric systems and exchange-coupled networks (including chains, ladders, and layers), and long-range order.     

Review: Gaile,A. A., Somov,V. E., and Varshavskii,O. M., Aromaticheskie uglevodorody: Vydelenie,primenenie, rynok: Spravochnik (Aromatic Hydrocarbons: Isolation,Use, and Market: Reference Book)

Russian Journal of Applied Chemistry -     

Biosurfactants: Formulations,properties, and applications

In this review, we attempt to give an overview on the recent progress made on biosurfactants, surface-active biomolecules produced by microorganisms, which are a sustainable alternative to synthetic surfactants. Different biosurfactants, their production techniques, and their physical and chemical properties are discussed. There is a focus on recent studies related to surface properties and rheology of biosurfactants, both being properties which affect their ability to take part in a stable formulation. Biosurfactants can have applications in multiple different industrial sectors, such as agriculture, medicine, personal care, food, petroleum, etc. The specific properties important for applications in these sectors are discussed in detail.     

Biomolecular modeling: Goals, problems, perspectives

Computation based on molecular models is playing an increasingly important role in biology, biological chemistry, and biophysics. Since only a very limited number of properties of biomolecular systems is actually accessible to measurement by experimental means, computer simulation can complement experiment by providing not only averages, but also distributions and time series of any definable quantity, for example, conformational distributions or interactions between parts of systems. Present day biomolecular modeling is limited in its application by four main problems: 1) the force-field problem, 2) the search (sampling) problem, 3) the ensemble (sampling) problem, and 4) the experimental problem. These four problems are discussed and illustrated by practical examples. Perspectives are also outlined for pushing forward the limitations of biomolecular modeling.     

Tetrodotoxin: History,Biology, and Synthesis

This review provides a comprehensive coverage of the history, biology and chemistry of tetrodotoxin (TTX). It traces the origin of this remarkable molecule all the way back to the ancient Chinese medicine records. The discovery of biological activity, isolation, and a brief overview of structure elucidation are summarized. Next, the biology of TTX is discussed, primarily in the context of its activity in the sodium channels, its anesthetic properties, and its potential use in cancer treatment or drug addiction. Biosynthesis of TTX is covered before the discussion of the total syntheses. All total, formal or partial syntheses are covered but those total syntheses that have been discussed in previous reviews are only briefly summarized. Finally, the synthesis of natural and unnatural derivatives is surveyed, and a conclusion and outlook are provided for this very extensive field of endeavor. To the best of our knowledge the literature coverage is complete up to December 2018.