A calorimetric unit for measurements of the thermal effects of reactions in solution

A calorimetric unit for measurements of the thermal effects of reactions in solution was created. The unit was designed following the classic scheme of a hermetic liquid calorimeter working under isoperibolic conditions, it had a thermometric sensitivity of 10⁻⁴ K and a calorimetric sensitivity of 10⁻² J. The accuracy of calorimeter operation was checked against the heats of solution of potassium chloride. The molar integral enthalpies of solution of glycine in water at 298 K were determined.     

T3P-Promoted Synthesis of a Series of 2-Aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones and Their Activity against the Kinetoplastid Parasite Trypanosoma brucei

A series of fourteen 2-aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones was prepared at room temperature by T3P-mediated cyclization of N-phenyl-C-aryl imines with thionicotinic acid, two difficult substrates. The reactions were operationally simple, did not require specialized equipment or anhydrous solvents, could be performed as either two or three component reactions, and gave moderate–good yields as high as 63%. This provides ready access to N-phenyl compounds in this family, which have been generally difficult to prepare. As part of the study, the first crystal structure of neutral thionicotinic acid is also reported, and showed the molecule to be in the form of the thione tautomer. Additionally, the synthesized compounds were tested against T. brucei, the causative agent of Human African Sleeping Sickness. Screening at 50 µM concentration showed that five of the compounds strongly inhibited growth and killed parasites.     

A new method of synthesis of the B<Subscript>3</Subscript>H<Stack><Subscript>8</Subscript><Superscript>−</Superscript></Stack> anion

A new method of synthesis of the B₃H₈⁻ anion has been suggested. The method uses the reaction of some metal halides (CuCl, SnCl₂, CrCl₃, PbF₂, PbCl₂, PbBr₂, and BiCl₃) with sodium tetrahydroborate. It is characterized by high (up to quantitative) yields and simplicity of isolation of the target products ((n-C₄H₉)₄N)[B₃H₈] and Cs[B₃H₈].     

Sorptive separation of molybdenum(VI) from rhenium-containing solutions

It is shown that Purolite S957 cation-exchange resin containing phosphonic-acid and sulfonic groups is capable of selectively sorbing molybdenum(VI) in the presence of rhenium(VII) in solution.     

A Facile, Expeditious Route to the Benzooxabicyclo[3.2.1]octane System. Application to a Short, High-Yield Synthesis of Filiformin

A facile and efficacious route to the benzooxabicyclo[3.2.1]octane system has been developed and applied to a synthesis of filiformin (1). The cycloaddition of ethylene to the methoxychromone 13 furnished the oxetanol 14 through a tandem cycloaddition and gamma-hydrogen abstraction sequence. Lithium aluminum hydride reduction to the diol 15 followed by acid-catalyzed rearrangement produced benzooxabicyclooctanone (16), arising from exclusive external bond migration. Similarly, ethoxychromone (17) under the same sequence of reactions afforded the homologous bridged ketone 20. For the synthesis of filiformin (1), methoxychromone 24 on ethylene cycloaddition followed by reduction of resultant oxetanol 25 with lithium aluminum hydride furnished diol 10. Acid-catalyzed rearrangement of 10 provided the bridged ketone 11 which was brominated to give 26. This bromo ketone had previously been converted to filiformin (1), and also aplysin 9, and hence, the present work represents a short, high-yield formal synthesis of these sequiterpenes from a single starting material.     

Efficient photocyclization of o-alkylbenzaldehydes in the solid state: direct observation of E-xylylenols en route to benzocyclobutenols

The photocyclization to benzocyclobutenols of o-alkyl aromatic aldehydes that are predestined for gamma-hydrogen abstraction is found to occur efficiently in the solid state; in contrast, solution-phase photolysis is known to afford a mixture of several products. It is shown that mesitaldehyde, which is a liquid, also undergoes efficient cyclization when subjected to photolysis as a solid inclusion complex. The marginal energy differences in the relative energies of the E-enols and the corresponding cyclobutenols in the case of cyano-substituted mesitaldehydes has permitted direct observation, for the first time, of the E-enols en route to benzocyclobutenols. The AM1 calculations suggest that the cyano-substitution causes intrinsic stabilization of the E-enols relative to the corresponding cyclobutenols, while the bromo groups do the opposite. The lack of observation of the red color in bromo- and formyl-substituted aldehydes is attributed to rapid cyclization of the E-enols to the their respective cyclobutenols even at low temperatures.     

Software platform for mass supercomputing

An experience of designing integrated hardware and software solutions for high-performance computing in solving modern geophysical problems on the basis of full-wave inversion is described. Problems of designing mass high-performance software systems intended for extensive use in industry are discussed.     

Application of the duality theory in modeling hydraulic systems with flow regulators

We consider mathematical models of the operation of pipelines with automatic flow regulators installed on several sections. We present a system of equations and inequalities that describes the flow distribution in such pipelines. We prove that the stated system gives optimality conditions for two mutually dual convex programming problems. This enables us to obtain conditions for the unique existence of a solution to this system.     

Mathematical Modelling of Cable Stayed Bridges: Existence, Uniqueness, Continuous Dependence on Data, Homogenization of Cable Systems

A model of a cable stayed bridge is proposed. This model describes the behaviour of the center span, the part between pylons, hung on one row of cable stays. The existence, the uniqueness of a solution of a time independent problem and the continuous dependence on data are proved. The existence and the uniqueness of a solution of a linearized dynamic problem are proved. A homogenizing procedure making it possible to replace cables by a continuous system is proposed. A nonlinear dynamic problem connected with the homogenizing procedure is proposed and the existence and uniqueness of a solution are proved.