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排序方式: 共有367条查询结果,搜索用时 15 毫秒
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Irwin Oppenheim 《Journal of statistical physics》1991,62(1-2):499-500
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Mathiazhagan C Molzon WR Cousins RD Konigsberg J Kubic J Melese P Rubin P Slater WE Wagner D Hart GW Kinnison WW Lee DM McKee RJ Milner EC Sanders GH Ziock HJ Arisaka K Knibbe P Urheim J Axelrod S Biery KA Irwin GM Lang K Margulies J Ouimette DA Ritchie JL Trang QH Wojcicki SG Auerbach LB Buchholz P Highland VL McFarlane WK Sivertz M Chapman MD Eckhause M Ginkel JF Hancock AD Joyce D Kane JR Kenney CJ Vulcan WF Welsh RE Whyley RJ Winter RG 《Physical review letters》1989,63(20):2181-2184
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Maria A. Curtin Irwin A. Taub Kenneth Kustin Narith Sao Jeremy R. Duvall Katharine I. Davies Christopher J. Doona Edward W. Ross 《Research on Chemical Intermediates》2004,30(6):647-661
The slow reaction between peroxodisulfate and formate is significantly accelerated by ascorbate at room temperature. The products of this induced oxidation, CO2 and oxalate (C2O2–
4), were analyzed by several methods and the kinetics of this reaction were measured. The overall mechanism involves free radical species. Ascorbate reacts with peroxodisulfate to initiate production of the sulfate radical ion (SO–
4), which reacts with formate to produce carbon dioxide radical ion (CO–
2) and sulfate. The carbon dioxide radical reacts with peroxodisulfate to form CO2 or self-combines to form oxalate. Competition occurring between these two processes determines the overall fate of the carbon dioxide radical species. As pH decreases, protonation of the carbon dioxide radical ion tends to favor production of CO2. 相似文献
6.
Christopher Irwin Angelit Barnes Denise Veres Kays Kaidbey 《Photochemistry and photobiology》1993,57(3):504-507
The wavelength dependence for immediate pigment darkening (IPD) was investigated by exposing the midback skin of volunteers to a series of incremental fluences of narrow waveband radiation isolated by band-pass filters in the310–400 nm region. The threshold IPD fluence for each waveband was determined by visual assessment of the skin responses immediately after each exposure. The action spectrum, constructed from the mean threshold fluences, was broad and extended from 320 nm to 400 nm with a peak at around 340 nm. No IPD could be evoked at 310 nm, even after erythemogenic fluences. The spectrum was similar in each of the three skin types investigated (III, IV, V). The broad nature of the action spectrum within the UVA region suggests that IPD may serve as an alternative endpoint for measuring photoprotection against these wavelengths. 相似文献
7.
Genetic algorithms have properties which make them attractive in de novo drug design. Like other de novo design programs, genetic algorithms require a method to reduce the enormous search space of possible compounds. Most often this is done using information from known ligands. We have developed the ADAPT program, a genetic algorithm which uses molecular interactions evaluated with docking calculations as a fitness function to reduce the search space. ADAPT does not require information about known ligands. The program takes an initial set of compounds and iteratively builds new compounds based on the fitness scores of the previous set of compounds. We describe the particulars of the ADAPT algorithm and its application to three well-studied target systems. We also show that the strategies of enhanced local sampling and re-introducing diversity to the compound population during the design cycle provide better results than conventional genetic algorithm protocols. 相似文献
8.
Batinić-Haberle I Spasojević I Stevens RD Hambright P Neta P Okado-Matsumoto A Fridovich I 《Dalton transactions (Cambridge, England : 2003)》2004,(11):1696-1702
Three new Mn(III) porphyrin catalysts of O2.-dismutation (superoxide dismutase mimics), bearing ether oxygen atoms within their side chains, were synthesized and characterized: Mn(III) 5,10,15,20-tetrakis[N-(2-methoxyethyl)pyridinium-2-yl]porphyrin (MnTMOE-2-PyP(5+)), Mn(III)5,10,15,20-tetrakis[N-methyl-N'-(2-methoxyethyl)imidazolium-2-yl]porphyrin (MnTM,MOE-2-ImP(5+)) and Mn(III) 5,10,15,20-tetrakis[N,N'-di(2-methoxyethyl)imidazolium-2-yl]porphyrin (MnTDMOE-2-ImP(5+)). Their catalytic rate constants for O2.-dismutation (disproportionation) and the related metal-centered redox potentials vs. NHE are: log k(cat)= 8.04 (E(1/2)=+251 mV) for MnTMOE-2-PyP(5+), log k(cat)= 7.98 (E(1/2)=+356 mV) for MnTM,MOE-2-ImP(5+) and log k(cat)= 7.59 (E(1/2)=+365 mV) for MnTDMOE-2-ImP(5+). The new porphyrins were compared to the previously described SOD mimics Mn(III) 5,10,15,20-tetrakis(N-ethylpyridinium-2-yl)porphyrin (MnTE-2-PyP(5+)), Mn(III) 5,10,15,20-tetrakis(N-n-butylpyridinium-2-yl)porphyrin (MnTnBu-2-PyP(5+)) and Mn(III) 5,10,15,20-tetrakis(N,N'-diethylimidazolium-2-yl)porphyrin (MnTDE-2-ImP(5+)). MnTMOE-2-PyP(5+) has side chains of the same length and the same E(1/2), as MnTnBu-2-PyP(5+)(k(cat)= 7.25, E(1/2)=+ 254 mV), yet it is 6-fold more potent a catalyst of O2.-dismutation , presumably due to the presence of the ether oxygen. The log k(cat)vs. E(1/2) relationship for all Mn porphyrin-based SOD mimics thus far studied is discussed. None of the new compounds were toxic to Escherichia coli in the concentration range studied (up to 30 microM), and protected SOD-deficient E. coli in a concentration-dependent manner. At 3 microM levels, the MnTDMOE-2-ImP(5+), bearing an oxygen atom within each of the eight side chains, was the most effective and offered much higher protection than MnTE-2-PyP(5+), while MnTDE-2-ImP(5+) was of very low efficacy. 相似文献
9.
Balakin V Alexandrov VA Mikhailichenko A Flöttmann K Peters F Voss G Bharadwaj V Halling M Holt JA Buon J Jeanjean J LeDiberder F Lepeltier V Puzo P Heimlinger G Settles R Stierlin U Hayano H Ishihara N Nakayama H Oide K Shintake T Takeuchi Y Yamamoto N Bulos F Burke D Field R Hartman S Helm R Irwin J Iverson R Rokni S Roy G Spence W Tenenbaum P Wagner SR Walz D Williams S 《Physical review letters》1995,74(13):2479-2482
10.
Belz J Cousins RD Diwan MV Eckhause M Ecklund KM Hancock AD Highland VL Hoff C Hoffmann GW Irwin GM Kane JR Kettell SH Klein JR Kuang Y Lang K Martin R May M McDonough J Molzon WR Riley PJ Ritchie JL Schwartz AJ Trandafir A Ware B Welsh RE White SN Witkowski MT Wojcicki SG Worm S 《Physical review letters》1996,76(18):3277-3280