Methods for the construction of [1,2]isoindolo-condensed benzazepines, benzazocines, quinolines, and isoquinolines. 2. Isoindoloquinolines, isoindoloisoquinolines. (Review)

Data for 1966–2004 on methods for the construction of tetracyclic systems in which an isoindole ring is condensed with quinoline and isoquinoline fragments on the [1,2] side are reviewed. Methods and conditions for the synthesis of isoindoloquinolines and isoindoloisoquinolines are examined. Examples of the synthesis of physiologically active natural alkaloids possessing the structure of these condensed isoindoles are presented. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1123–1157, August, 2006.     

Methods for the construction of [1,2]isoindolo-condensed benzazepines, benzazocines, quinolines, and isoquinolines. 1. Isoindolobenzazepines, isoindolobenzazocines. (Review)

Data on methods for the construction of tetracyclic systems in which an isoindole ring is condensed with benzazepines and benzazocines on the [1,2] side are reviewed. The reaction conditions and approaches leading to isoindolobenzazepines and isoindolobenzazocines are discussed. Examples of the synthesis of physiologically active natural alkaloids with the structure of the above-mentioned condensed isoindoles are presented. Data for 1959–2004 are included. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 7, pp. 963–994, July, 2006.     

Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene

An extension of the transferable potentials for phase equilibria united-atom (TraPPE-UA) force field to thiol, sulfide, and disulfide functionalities and thiophene is presented. In the TraPPE-UA force field, nonbonded interactions are governed by a Lennard-Jones plus fixed point charge functional form. Partial charges are determined through a CHELPG analysis of electrostatic potential energy surfaces derived from ab initio calculations at the HF/6-31g+(d,p) level. The Lennard-Jones well depth and size parameters for four new interaction sites, S (thiols), S(sulfides), S(disulfides), and S(thiophene), were determined by fitting simulation data to pure-component vapor-equilibrium data for methanethiol, dimethyl sulfide, dimethyl disulfide, and thiophene, respectively. Configurational-bias Monte Carlo simulations in the grand canonical ensemble combined with histogram-reweighting methods were used to calculate the vapor-liquid coexistence curves for methanethiol, ethanethiol, 2-methyl-1-propanethiol, 2-methyl-2-propanethiol, 2-butanethiol, pentanethiol, octanethiol, dimethyl sulfide, diethyl sulfide, ethylmethyl sulfide, dimethyl disulfide, diethyl disulfide, and thiophene. Excellent agreement with experiment is achieved, with unsigned errors of less than 1% for saturated liquid densities and less than 3% for critical temperatures. The normal boiling points were predicted to within 1% of experiment in most cases, although for certain molecules (pentanethiol) deviations as large as 5% were found. Additional calculations were performed to determine the pressure-composition behavior of ethanethiol+n-butane at 373.15 K and the temperature-composition behavior of 1-propanethiol+n-hexane at 1.01 bar. In each case, a good reproduction of experimental vapor-liquid equilibrium separation factors is achieved; both of the coexistence curves are somewhat shifted because of overprediction of the pure-component vapor pressures.     

Chemical markup, XML, and the world wide web. 6. CMLReact, an XML vocabulary for chemical reactions

A set of components (CMLReact) for managing chemical and biochemical reactions has been added to CML. These can be combined to support most of the strategies for the formal representation of reactions. The elements, attributes, and types are formally defined as XMLSchema components, and their semantics are developed. New syntax and semantics in CML are reported and illustrated with 10 examples.     

Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data

CMLSpect is an extension of Chemical Markup Language (CML) for managing spectral and other analytical data. It is designed to be flexible enough to contain a wide variety of spectral data. The paper describes the CMLElements used and gives practical examples for common types of spectra. In addition it demonstrates how different views of the data can be expressed and what problems still exist.     

Potentiometric titration of peptides,the starting materials for their synthesis,and intermediates. II. Acidimetric microdetermination of peptides

The possibility has been shown of the microdetermination of the weight proportion of the main substance in chromatographically pure peptide preparations. The results of quantitative determinations of an analog of luliberin have been compared with the results of analyses obtained by the methods of high-performance liquid chromatography and UV spectrophotometry. The method developed has also been used in analyses of preparations of oxytocin, angiotensin, and vasopressin.All-Union Scientific-Research Institute of Applied Biochemistry, Biolar Scientific-Industrial Association, Olaine. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 83–86, January–February, 1990.     

Introduction to bioenergetics: Thermodynamics for the biologist — a learning program for students of the biological and medical sciences | by N. Christensen and Richard A. Cellarius,W.B. Saunders Company,Philadelphia, 1972, pp. xii + 223, price £2.35

The infrared and Raman spectra of the light blue modification of anhydrous copper(II) formate, Cu(HCOO)₂, and copper(II) formate-d₂, Cu(DCOO)₂, are reported, as well as the Raman spectra of copper(II) formate tetrahydrate Cu(HCOO)₂ · 4H₂O and copper(II) formate tetrahydrate-d₈ Cu(HCOO)₂ · 4D₂O over a wide range of temperatures. In the latter two compounds, the fundamental formate modes, active in the Raman spectra, showed splittings when the phase transition temperature was traversed. These low-temperature Raman spectra were interpreted in terms of a P2₁ space group and prove that the phase transition not only involves an ordering in the orientation of the water molecules, but also displacements of the heavy atoms. Only a limited number of weak translational modes of the water molecules could be identified in the Raman spectra of the copper(II) formate tetrahydrate, and it is not possible therefore to determine exactly how ordering affects the Raman-active lattice modes of these molecules.