Improved solution for inventory model with defective goods

This paper is a consequence for a paper of Lin et al. [S.W. Lin, Y.W. Wou, P. Julian, Note on minimax distribution free procedure for integrated inventory model with defective goods and stochastic lead time demand, Appl. Math. Model. 35 (2011) 2087–2093]. We simplified their complicated solution procedure and then presented a revision to patch their negligence for the boundary minimums. Numerical examples are provided to demonstrate our findings.     

Semiclassical transition state theory/master equation kinetics of HO + CO: Performance evaluation

Previously, master equation (ME) simulations using semiclassical transition state theory (SCTST) and high-accuracy extrapolated ab initio thermochemistry (HEAT) predicted rate constants in excellent agreement with published experimental data over a wide range of pressure and temperatures ≳250 K, but the agreement was not as good at lower temperatures. Possible reasons for this reduced performance are investigated by (a) critically evaluating the published experimental data and by investigating; (b) three distinct ME treatments of angular momentum, including one that is exact at the zero- and infinite-pressure limits; (c) a hindered-rotor model for HOCO that implicitly includes the cis- and trans-conformers; (d) possible empirical adjustments of the thermochemistry; (e) possible empirical adjustments to an imaginary frequency controlling tunneling; (f) including or neglecting the prereaction complex PRC1; and (g) its possible bimolecular reactions. Improvements include better approximations to factors in SCTST and using the Hill and van Vleck treatment of angular momentum coupling. Evaluation of literature data does not reveal any specific shortcomings, but the stated uncertainties may be underestimated. All ME treatments give excellent fits to experimental data at T ≥ 250 K, but the discrepancy at T < 250 K persists. Note that each ME model requires individual empirical energy transfer parameters. Thermochemical adjustments were unable to match the experimental H/D kinetic isotope effects. Adjusting an imaginary frequency can achieve good fits, but the adjustments are unacceptably large. Whether PRC1 and its possible bimolecular reactions are included had little effect. We conclude that none of the adjustments is an improvement over the unadjusted theory. Note that only one set of experimental data exists in the regime of the discrepancy with theory, and data for DO + CO are scanty.     

Halide Anion Triggered Reactions of Michael Acceptors with Tropylium Ion

Tropylium bromide undergoes noncatalyzed, regioselective additions to a large variety of Michael acceptors. In this way, acrylic esters are converted into β-bromo-α-cycloheptatrienylpropionic esters. The reactions are interpreted as nucleophilic attack of bromide ions at the electron-deficient olefins and the approach of the tropylium ion to the incipient carbanion. Quantum chemical calculations were performed to elucidate the analogy to the amine- or phosphine-catalyzed Rauhut–Currier reactions. Subsequent synthetic transformations of the bromo-cycloheptatrienylated adducts are reported.     

Automated capillary electrophoresis with on-line preconcentration by solid phase extraction using a sequential injection manifold and contactless conductivity detection

An extension of a capillary electrophoresis instrument coupled to a sequential injection analysis manifold was developed for automated measurements with on-line solid-phase extraction preconcentration. An in-house built capacitively coupled contactless conductivity detector was employed for sensitive detection with narrow capillaries of 25 μm internal diameter. The system was assembled into standardized 19 in. frames and racks for easy transport and mobile deployment. The system can be left running unattendedly without manual intervention with good operation stability. To demonstrate the application of the system, a method for the determination of four drugs, namely ibuprofen, diclofenac, naproxen and bezafibrate, was developed with enrichment factors of up to several hundreds. Detection of the drug residues down to the nM-scale was found possible and the method was found suitable for the detection of ibuprofen in the waste water of a hospital in Hanoi.     

DERIVATIVES OF 4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE V. SYNTHESIS OF 4,6-DINITRO-2,8-BIS(TRIFLUOROMETHYL) PHENOTHIAZINE (1), ISOPROPYL 2,6-DINITRO-4-TRIFLUOROMETHYLPHENYL SULFIDE (2) AND BIS(2,6-DINITRO-4-TRIFLUOROMETHYLPHENYL) DISULFIDE (3)

Abstract

The reaction of potassium isopropyl dithiocarbonate with 4-chloro-3,5-dinitrobenzotrifluoride in dimethylformamide at 25–30°C afforded the titled phenothiazine (1) and sulfide (2). The reaction of bis(2,6-dinitro-4-trifluoromethylphenyl)-sulfide or the above halogen compound with sodium hydrosulfide in the same solvent at 80–90°C furnished 1. At 25–30°C the latter reaction afforded the titled disulfide (3). Possible mechanisms and supporting nmr, ir and mass spectral data are discussed.     

Thermoluminescence response as a function of irradiation temperature

Thermoluminescence response at different irradiation temperatures and photon energies has been studied. Analyses of the glow curve and the peak height of TLD 200, 600, 700 and CaSO₄:Dy for irradiations using ⁶⁰Co, ¹³⁷Cs and ²²⁶Ra were made.