Temperature effects on surface activity and application in oxidation of toluene derivatives of CTAB-SDS with KMnO4

The γ_cmc values of CTAB-SDS decrease from 63.67 mN/m at 10‡C to 36.38 mN/m at 90‡C, slightly lower than those of either CTAB or SDS. Correspondingly, the CMC of CTAB-SDS decreases almost by half. The increase of surface activity of CTAB-SDS can be attributed to the relatively weak electrostatic interaction at high temperature, which is supported by the increase of solubility of CTAB-SDS with rise in temperature. Catalytic effect on oxidation of toluene derivatives with potassium permanganate follows the order CTAB-SDS > SDS > CTAB. This is not caused by the dissociative effect of CTAB-SDS with low surface activity at low temperature, as seen from the fact that almost all oxidative products can be retrieved for different toluene derivatives and surfactants by mimicking the conditions of reaction. In the emulsifications of toluene derivatives at 90‡C, the time that turbid water layers of surfactant solutions take to become clear is the same as that of the catalytic effect on oxidation of toluene derivatives. Thus, it can be inferred that surfactants can improve the oxidation yields of toluene derivatives by increasing the contact between two reacting phases.     

Synthesis and Reactions of Some New Pyrrolylfuro[2,3‐d]Pyrimidines and Pyrrolopyrazinofuropyrimidines

5‐Amino‐4‐methyl‐2‐phenyl‐6‐substitutedfuro[2,3‐d]pyrimidines ( 2a‐c ) were reacted with 2,5‐dimethoxytetrahydrfuran to afford the pyrrolyl derivatives 3a‐c . Compound 3a was chosen as intermediate for the synthesis of poly fused heterocycles incorporated furopyrimidines moiety 4–11 . Some of the synthesized compounds were screened for their antibacterial and antifungal activities.     

Hybrid reordering strategies for ILU preconditioning of indefinite sparse matrices

Incomplete LU factorization preconditioning techniques often have difficulty on indefinite sparse matrices. We present hybrid reordering strategies to deal with such matrices, which include new diagonal reorderings that are in conjunction with a symmetric nondecreasing degree algorithm. We first use the diagonal reorderings to efficiently search for entries of single element rows and columns and/or the maximum absolute value to be placed on the diagonal for computing a nonsymmetric permutation. To augment the effectiveness of the diagonal reorderings, a nondecreasing degree algorithm is applied to reduce the amount of fill-in during the ILU factorization. With the reordered matrices, we achieve a noticeable improvement in enhancing the stability of incomplete LU factorizations. Consequently, we reduce the convergence cost of the preconditioned Krylov subspace methods on solving the reordered indefinite matrices.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Three New Polyoxygenated Steroids from Two Species of the South China Sea Gorgonian Muricella flexuosa and Menella verrucosa Brundin

Three new polyoxygenated steroids, muricesteroid ( 1 ), and menellsteroids A ( 2 ) and B ( 3 ), were isolated from two species of the South China Sea gorgonian Muricella flexuosa and Menella verrucosa Brundin , respectively. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analysis, chemical methods and comparison with known related compounds.     

A finite model property for RMImin

It is proved that the variety of relevant disjunction lattices has the finite embeddability property. It follows that Avron's relevance logic RMI _min has a strong form of the finite model property, so it has a solvable deducibility problem. This strengthens Avron's result that RMI _min is decidable. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Nuclear Quadrupole Coupling Constants of Chlorine and Microwave Spectrum, Structure, and ab Initio Calculation of 1-Chloro-1,1,2-trifluoroethane

The microwave spectrum of the ³⁵Cl and ³⁷Cl isotopic species of 1-chloro-1,1,2-trifluoroethane (HCFC-133b) has been investigated in the frequency region 10 to 50 GHz using a Stark modulation microwave spectrometer. A pulsed jet Fourier transform microwave spectrometer was also used for the measurement of hyperfine splittings. A least-squares analysis of the observed b-type Q- and R-branch transition frequencies gave rotational and centrifugal distortion constants and components of the chlorine nuclear quadrupole coupling constant tensors in the principal axes system as follows: A=4625.161 (3) MHz, B=2004.127 (2) MHz, C=1875.813 (2) MHz, Δ_J=0.144 (9) kHz, Δ_JK=1.0748 (8) kHz, Δ_K=1.57 (1) kHz, δ_J=0.01376 (4) kHz, δ_K=−0.146 (4) kHz, χ_aa=−57.958 (10) MHz, χ_bb=21.231 (11) MHz, and χ_cc=36.727 (11) MHz for ³⁵ClCF₂CH₂F species, and A=4607.684 (6) MHz, B=1960.565 (2) MHz, C=1834.823 (2) MHz, Δ_J=0.106 (7) kHz, Δ_JK=1.022 (3) kHz, Δ_K=1.48 (1) kHz, δ_J=0.0142 (2) kHz, δ_K=−0.18 (2) kHz, χ_aa=−46.268 (11) MHz, χ_bb=17.319 (13) MHz, and χ_cc=28.950 (13) MHz for ³⁷ClCF₂CH₂F species. The structural parameters are calculated from the observed six rotational constants by assuming the partial structure of ab initio calculation. The electronic properties of the C-Cl bond are evaluated from the observed nuclear quadrupole constants of chlorine. These molecular properties are compared with those of other related molecules.