Triple minima in the free energy of semiflexible polymers

We study the free energy of the worm-like-chain model, in the constant-extension ensemble, as a function of the stiffness lambda for finite chains of length L. We find that the polymer properties obtained in this ensemble are qualitatively different from those obtained using constant-force ensembles. In particular, we find that as we change the stiffness parameter, t=L/lambda, the polymer makes a transition from the flexible to the rigid phase and there is an intermediate regime of parameter values where the free energy has three minima and both phases are stable. This leads to interesting features in the force-extension curves.     

Axially symmetric solutions generated by the complexification technique

Banerjee and Andrade generated axially symmetric electrovac solutions from the spherically symmetric Reissner-Nordström solution by giving a complex translation along theZ axis. We use the same method for generating new more complicated axially symmetric solutions from known solutions. Several such examples are given.     

A Projection Method for the Integer Quadratic Knapsack Problem

In this paper we present a new branch and bound algorithm for solving a class of integer quadratic knapsack problems. A previously published algorithm solves the continuous variable subproblems in the branch and bound tree by performing a binary search over the breakpoints of a piecewise linear equation resulting from the Kuhn-Tucker conditions. Here, we first present modifications to a projection method for solving the continuous subproblems. Then we implement the modified projection method in a branch and bound framework and report computational results indicating that the new branch and bound algorithm is superior to the earlier method.     

Spectrophotometric determination of uranium(VI) with benzoylacetanilide

Ohne Zusammenfassung

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Use of complex forming substitution reactions for the selective enthalpiometric determination of cations and anions

     

Amperometric determination of 2-benzothiazole sulphenamide accelerators

A simple method for the amperometric estimation of N-cyclohexyl-2-benzothiazole sulphenamide, N-dicyclohexyl-2-benzothiazole sulphenamide, 2-(morpholinothio)benzothiazole and N-tert.-butyl-2-benzothiazole sulphenamide is reported. The results are obtained within 5 min and are correct within +/- 2.0%.     

Potential of magnetic resonance spectroscopy to detect metastasis in axillary lymph nodes in breast cancer

Focused pathological evaluation of axillary lymph nodes in breast cancer is gaining importance. Nuclear magnetic resonance (NMR) spectroscopy that assesses the whole of the specimen has the potential in evaluating micrometastases. The biochemical changes associated with breast cancer metastases in axillary nodes by in vitro NMR and its use in the detection of axillary metastases in a clinical setting in comparison with conventional histopathology is presented in this study. Eighty-eight lymph nodes obtained from 30 patients with breast cancer were investigated. Histopathology revealed metastases in 20 nodes from 11 patients, while in vitro NMR spectroscopy revealed metastases in 22 nodes. Out of these 22 nodes, 16 were the same, which showed metastases on histopathology, while 6 nodes have shown metastases only on in vitro magnetic resonance spectroscopy (MRS). These 6 nodes with suspicion of metastases on MRS were subjected to reevaluation with serial sectioning and immunohistochemistry, but no additional metastases were revealed. Forty metabolites could be identified from the MR spectrum of lymph nodes. The levels of the glycerophosphocholine-phosphocholine (GPC-PC), choline, lactate, alanine and uridine diphosphoglucose were elevated significantly in nodes with metastases. In addition, the intensity ratio of GPC-PC/threonine (Thr) was higher in nodes with metastases, and using this as marker, MRS detected the axillary metastases with a sensitivity, specificity and accuracy of 80%, 91% and 88%, respectively. Neoadjuvant chemotherapy (NACT) lowered the concentrations of GPC-PC and GPC-PC/Thr ratio. The accuracy of MRS in detecting metastases was 75% in patients who received NACT (n=9) as compared to 96% in those who did not (n=21). Our results demonstrate the potential of in vitro MRS in characterizing the metabolite profile of the axillary nodes with breast cancer metastases. It detected axillary metastases with reasonable accuracy and can be complementary to histopathological evaluation and immunohistochemistry.     

Comparative studies of the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of 25Mg+

We have employed the relativistic coupled cluster theory to calculate the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of singly ionized magnesium. Comparison with experimental and the other theoretical results are done and predictions are also made for a few low lying excited states which could be of interest. We have made comparative studies of the important many body effects contributing to the hyperfine constants for the different states of the ion.     

Investigations into the role of ion pairing in reactions of heteroatom-substituted cyclic oxocarbenium ions

[reaction: see text] The O-to-C rearrangement of vinyl acetals is used to demonstrate that tight ion pairing is not involved in the stereoselective nucleophilic addition reactions of alkoxy-substituted cyclic oxocarbenium ions.     

Theoretical studies of electric quadrupole transition probabilities in Mg II

The relativistic coupled cluster theory is employed to calculate electric quadrupole (E2) transition probabilities among the doublet states of Mg II which are of interest in astrophysical problems. This is the first time a highly correlated fully ab initio method has been used to compute these quantities for this particular ion. The line strengths and transition probabilities of a number of different transitions are reported and compared with those available in the literature.Received: 4 June 2003, Published online: 30 September 2003PACS: 31.10. + z Theory of electronic structure, electronic transitions, and chemical bindingSonjoy Majumder: Present address: Institut für Theoretische Chemie, Technische Universität München, 85747 Garching, Germany.     

Enhanced intravenous transgene expression in mouse lung using cyclic-head cationic lipids

Herein, we report enhanced intravenous mouse lung transfection using novel cyclic-head-group analogs of usually open-head cationic transfection lipids. Design and synthesis of the new cyclic-head lipid N,N-di-n-tetradecyl-3,4-dihydroxy-pyrrolidinium chloride (lipid 1) and its higher alkyl-chain analogs (lipids 2-4) and relative in vitro and in vivo gene transfer efficacies of cyclic-head lipids 1-4 to their corresponding open-head analogs [lipid 5, namely N,N-di-n-tetradecyl-N,N-(2-hydroxyethyl)ammonium chloride and its higher alkyl-chain analogs, lipids 6-8] have been described. In stark contrast to comparable in vitro transfection efficacies of both the cyclic- and open-head lipids, lipids 1-4 with cyclic heads were found to be significantly more efficient (by 5- to 11-fold) in transfecting mouse lung than their corresponding open-head analogs (5-8) upon intravenous administration. The cyclic-head lipid 3 with di-stearyl hydrophobic tail was found to be the most promising for future applications.