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61.
We present a detailed account of the technical aspects of stochastic quantum molecular dynamics, an approach introduced recently by the authors [H. Appel, M. Di Ventra, Phys. Rev. B 80 (2009) 212303] to describe coupled electron-ion dynamics in open quantum systems. As example applications of the method we consider both finite systems with and without ionic motion, as well as describe its applicability to extended systems in the limit of classical ions. The latter formulation allows the study of important phenomena such as decoherence and energy relaxation in bulk systems and surfaces in the presence of time-dependent fields. 相似文献
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Justin T. Russell Yao Lin Alexander Bker Long Su Philippe Carl Heiko Zettl Jinbo He Kevin Sill Ravisubhash Tangirala Todd Emrick Kenneth Littrell Pappannan Thiyagarajan David Cookson Andreas Fery Qian Wang Thomas P. Russell 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2005,117(16):2472-2478
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Hans R. Kricheldorf Heiko Hachmann‐Thiessen 《Journal of polymer science. Part A, Polymer chemistry》2005,43(15):3268-3277
ε‐Caprolactone and glycolide were copolymerized in bulk either with tin(II) 2‐ethylhexanoate (SnOct2) or with bismuth(III) n‐hexanoate (BiHex3) as initiators and with tetra(ethylene glycol) as a coinitiator. The temperature was varied from 100 to 160 °C. The sequences were characterized with 1H and 13C NMR spectroscopy. Surprisingly, it was found that higher temperatures favored the formation of alternating sequences. Furthermore, the content of alternating dyads was significantly higher when BiHex3 was used instead of SnOct2. An increase in reaction time caused partial randomization of the sequences regardless of the initiator. Size exclusion chromatography measurements in chloroform yielded number‐average molecular weights in agreement with the feed ratios. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 3268–3277, 2005 相似文献
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Production of the Bengamide Class of Marine Natural Products in Myxobacteria: Biosynthesis and Structure–Activity Relationships 下载免费PDF全文
Dr. Silke C. Wenzel Dr. Holger Hoffmann Dr. Jidong Zhang Dr. Laurent Debussche Dr. Sabine Haag‐Richter Dr. Michael Kurz Dr. Frederico Nardi Dr. Peer Lukat Irene Kochems Dr. Heiko Tietgen Prof. Dr. Dietmar Schummer Jean‐Paul Nicolas Dr. Loreley Calvet Dr. Valerie Czepczor Dr. Patricia Vrignaud Dr. Agnes Mühlenweg Priv.‐Doz. Dr. Stefan Pelzer Prof. Dr. Rolf Müller Prof. Dr. Mark Brönstrup 《Angewandte Chemie (International ed. in English)》2015,54(51):15560-15564
The bengamides, sponge‐derived natural products that have been characterized as inhibitors of methionine aminopeptidases (MetAPs), have been intensively investigated as anticancer compounds. We embarked on a multidisciplinary project to supply bengamides by fermentation of the terrestrial myxobacterium M. virescens, decipher their biosynthesis, and optimize their properties as drug leads. The characterization of the biosynthetic pathway revealed that bacterial resistance to bengamides is conferred by Leu 154 of the myxobacterial MetAP protein, and enabled transfer of the entire gene cluster into the more suitable production host M. xanthus DK1622. A combination of semisynthesis of microbially derived bengamides and total synthesis resulted in an optimized derivative that combined high cellular potency in the nanomolar range with high metabolic stability, which translated to an improved half‐life in mice and antitumor efficacy in a melanoma mouse model. 相似文献
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Daria V. Berdnikova Olga A. Fedorova Elena V. Tulyakova Haixing Li Sarah Kölsch Heiko Ihmels 《Photochemistry and photobiology》2015,91(3):723-731
DNA‐binding properties of 15‐crown‐5‐derived mono‐ and bis‐styryl dyes were investigated in the presence of calf thymus DNA. To access the factors that influence the DNA association in the series of these ligands, the structure of the molecules was varied by either changing size of the heterocyclic moiety or altering the position of the styryl substituents. The major binding mode for the monostyryl dyes is intercalation. Notably, binding of the dyes to the nucleic acids leads to a fluorescence enhancement by a factor of up to 54. Therefore, these cationic styryl derivatives may be applied as fluorescent “light‐up” probes for DNA detection. 相似文献
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Silke C. Wenzel Holger Hoffmann Jidong Zhang Laurent Debussche Sabine Haag‐Richter Michael Kurz Frederico Nardi Peer Lukat Irene Kochems Heiko Tietgen Dietmar Schummer Jean‐Paul Nicolas Loreley Calvet Valerie Czepczor Patricia Vrignaud Agnes Mühlenweg Stefan Pelzer Rolf Müller Mark Brnstrup 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2015,127(51):15781-15785