Effect of phosphorus flame retardants on thermo-oxidative decomposition of cotton

The effect of six organophosphorus compounds, including Pyrovatex CP (PCP), diammonium phosphate (DAP), phosphoric acid (PA), tributyl phosphate (TBP), triallyl phosphate (TAP) and triallyl phosphoric triamide (TPT) on the flame retardancy of cotton cellulose was studied. PCP, PA, and DAP are more efficient compared with the other three compounds in improving the limiting oxygen index (LOI) of cotton. The effectiveness of these compounds was investigated using scanning electron microscope (SEM) images of char formed after LOI tests, char content, activation energy of decomposition and heat of combustion data. SEM images showed that DAP, PCP and PA chars maintain the surface morphology during the burning process, which might be due to the formation of a protective layer or crosslinking effect. PA, PCP, and DAP treated fabrics have a higher activation energy of decomposition, higher char content and lower heat of combustion.     

Flow of non-Newtonian fluid contained in a fixed circular cylinder due to the longitudinal oscillation of a concentric circular cylinder

Summary The flow of a Reiner-Rivlin fluid between two coaxial porous circular cylinders has been studied. The inner cylinder performs a steady oscillation while the outer one is fixed.The exact solution of this problem has been obtained and approximate solutions for the two extreme cases, very small and very high frequencies, have been derived.     

A unified view of interior point methods for linear programming

The paper shows how various interior point methods for linear programming may all be derived from logarithmic barrier methods. These methods include primal and dual projective methods, affine methods, and methods based on the method of centers. In particular, the paper demonstrates that Karmarkar's algorithm is equivalent to a classical logarithmic barrier method applied to a problem in standard form.Invited paper presented at the Workshop on Supercomputers in Optimization, Minneapolis, Minn., May 1988.The work of this author was supported by the Air Force Office of Scientific Research, Air Force Systems Command, USA, under Grants AFOSR-87-0215 and AFOSR-85-0271. The US Government is authorized to reproduce and distribute reprints for Governmental purposes not withstanding any copyright notation thereon.     

Non-exponentiality in electron transfer kinetics: Static versus dynamic disorder models

Non-exponential electron transfer kinetics in complex systems are often analyzed in terms of a quenched, static disorder model. In this work we present an alternative analysis in terms of a simple dynamic disorder model where the solvent is characterized by highly non-exponential dynamics. We consider both low and high barrier reactions. For the former, the main result is a simple analytical expression for the survival probability of the reactant. In this case, electron transfer, in the long time, is controlled by the solvent polarization relaxation—in agreement with the analyses of Rips and Jortner and of Nadler and Marcus. The short time dynamics is also non-exponential, but for different reasons. The high barrier reactions, on the other hand, show an interesting dynamic dependence on the electronic coupling element,V _el.     

Synthesis of the active sites of molybdoenzymes: MoO2(VI) and MoO(IV)-dithiolene complexes mimicking enzymatic reactions of sulphite oxidase with saturation kinetics

[Mo^VIO₂(S₂C₂(CN)₂)₂]₂₋ (┘1) and [Mo^IVO(S₂C₂(CN)₂)₂]²⁻ (2) mimick oxidoreductase enzymatic activities of sulphite oxidase with biological electron donor, SO ₃ ²⁻ , andin vitro electron acceptor, [Fe(CN)₆]³⁻, demonstrating proton coupled electron transfer reaction in water and inhibition of the oxidation of (2) in the presence of KCN. The sulphite exidizing system is characterized by substrate saturation kinetics indicating the biological significance of the reactions     

Dynamic polarizability of two‐electron ions under Debye screening

The effect of plasma screening on the dynamic dipole polarizability (DPP) of two‐electron ions Be²⁺, B³⁺, and C⁴⁺ has been investigated using highly correlated exponential wave functions within the framework of pseudostate summation technique and Debye screening concept. Plasma‐screening effect on the oscillator strengths (OS) of the ultraviolet and visible series has also been investigated for the systems Li⁺, Be²⁺, B³⁺, C⁴⁺. The DPP are reported as functions of screening parameters. The OS for S‐P transitions are also reported for various screening parameters. The OS and dynamic polarizability show interesting behavior with increasing screening strength and nuclear charge. © 2015 Wiley Periodicals, Inc.     

Gold-catalyzed 1,2-difunctionalizations of aminoalkynes using only N- and O-containing oxidants

We report two viable routes for the 1,2-difunctionalization of aminoalkynes using only oxidants. In the presence of a gold catalyst, nitrones enable the oxoamination of aminoalkynes 1 to form 2-aminoamides 2. With a suitable gold catalyst, nitrosobenzenes implement an alkyne/nitroso metathesis of the same substrates to give 2-oxoiminylamides 3. These two novel oxidations also provide 1,2-aminoalcohols with opposite regioselectivity via NaBH(4) reduction in situ.     

Bestimmung der Halogene

Ohne Zusammenfassung     

Two-dimensional infrared investigation of N-acetyl tryptophan methyl amide in solution

The linear infrared and two-dimensional infrared (2D IR) spectra in the amide-I region of N-acetyl tryptophan methyl amide (NATMA) in solvents of varying polarity are reported. The two amide-I transitions have been assigned unambiguously by using 13C isotopic substitution of the carbonyl group. The amide unit at the amino end shows a lower transition frequency in CH2Cl2 and methanol, while the acetyl end has a lower transition frequency in D2O. Multiple conformers exist in CH2Cl2 and methanol, but only one conformer is evident in D2O. The 2D IR cross peaks from the intermode coupling yield off-diagonal anharmonicities 2.5 +/- 0.5, 3.25 +/- 0.5, and 3.0 +/- 0.5 cm(-1) in CH2Cl2, methanol, and D2O, respectively, which by simple matrix diagonalization yield the coupling constants 8.0 +/- 0.5, 8.0 +/- 1.0, and 5.5 +/- 1.0 cm(-1). The major conformer in CH2Cl2 corresponds to a C7 structure, in agreement with that found in the gas phase [Dian, B. C.; Longarte, A.; Mercier, S.; Evans, D. A.; Wales, D. J.; Zwier, T. S. J. Chem. Phys. 2002, 117, 10688-10702] with intramolecular hydrogen bonding between the acetyl end C=O and the amino end N-H. The backbone dihedral angles (phi, psi) are determined to be in the ranges of (-55 +/- 5 degrees , 30 +/- 5 degrees ), (120 +/- 10 degrees , -20 +/- 10 degrees ), and (+/-160 +/- 10 degrees , +/-75 +/- 10 degrees ) in CH2Cl2, methanol, and D2O, respectively.     

Dielectric friction and solvation dynamics: Novel results on relaxation in dipolar liquids

In this article we present a new, general but simple, microscopic expression for time-dependent solvation energy of an ion. This expression is surprisingly similar to the expression for the time-dependent dielectric friction on a moving ion. We show that both the Chandra-Bagchi and the Fried-Mukamel formulations of solvation dynamics can be easily derived from this expression. This expression leads to an almost perfect agreement of the theory with all the available computer simulation results. Second, we show here for the first time that the mobility of a light solute ion can significantly accelerate its own solvation, specially in the underdamped limit. The latter result is also in excellent agreement with the computer simulations.