Taming the 1,5-sigmatropic shift across protonated spirocyclic 4 H-pyrazoles [0.03%]
通过质子化螺环化合物控制4H-吡唑的[1,5]σ重排反应
Brian J Levandowski,Brian J Graham,Nile S Abularrage et al.
Brian J Levandowski et al.
The condensation of 1,3-diketones with hydrazine to access 4H-pyrazoles is a well-established synthetic route that travels through a 4H-pyrazol-1-ium intermediate. In the route to a 3,5-diphenyl-4H-pyrazole containing a cyclobutane spirocyc...
Changes in Mechanism and Transition State Structure for Solvolysis Reactions of Ring Substituted Benzyl Chlorides in Aqueous Solution [0.03%]
水中环取代苄基氯化物的溶剂裂解反应中的过渡态结构及机理变化研究
Paul E Yeary,John P Richard
Paul E Yeary
Rate and product data are reported for the solvolysis reactions of twenty-seven mono, di (3,4) and tri (3,4,5) ring-substituted benzyl chlorides. The first order rate constant for solvolysis in 20% acetonitrile in water decrease from k solv...
Spirocyclization enhances the Diels-Alder reactivities of geminally substituted cyclopentadienes and 4 H-pyrazoles [0.03%]
螺环化增强双键取代环戊二烯和4H-吡唑的狄尔斯-阿尔德反应活性
Brian J Levandowski,Nile S Abularrage,Ronald T Raines
Brian J Levandowski
The Diels-Alder reactivity of 5-membered dienes is tunable through spirocyclization at the saturated center. As the size of the spirocycle decreases, the Diels-Alder reactivity increases with the cyclobutane spirocycle, spiro[3.4]octa-5,7-d...
Maxwell I Martin,Avik K Pati,Chathura S Abeywickrama et al.
Maxwell I Martin et al.
In this perspective, we highlight the recent progress in utilizing Baird aromatic species to improve fluorophore performance in microscopy and imaging applications. We specifically focus on the origins of the use of Baird aromaticity in flu...
Alanine serine cysteine transporter (ASCT) substrate binding site properties probed with hydroxyhomoserine esters [0.03%]
丙氨酸丝氨酸半胱氨酸转运蛋白（ASCT）底物结合位点属性使用水杨酰胺类似物进行研究
Elias Ndaru,Laura Zielewicz,Yueyue Shi et al.
Elias Ndaru et al.
The glutamine transporter ASCT2 is highly overexpressed in cancer cells. Block of glutamine uptake by ASCT2 is a potential strategy to inhibit growth of cancer cells. However, pharmacology of the ASCT2 binding site is not well established. ...
Aaron M Fleming,Songjun Xiao,Michael B Chabot et al.
Aaron M Fleming et al.
Fluorescent dyes are routinely used to visualize DNA or RNA in various experiments, and some dyes also act as photosensitizers capable of catalyzing oxidation reactions. The present studies explored whether the common labeling dyes fluoresc...
The optical spectra of DMAC-based molecules for organic light-emitting diodes: Hybrid-exchange density functional theory study [0.03%]
基于DMAC分子的有机电致发光二极管光学光谱的理论研究
Yuting Wang,Wei Wu,Kwang Leong Choy
Yuting Wang
Organic light-emitting diodes (OLED) have considerable advantages over the conventional counterpart. Molecular design by simulations is important for the discovery of new material candidate to improve the performance of OLED. Recently, ther...
Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID-19: Density functional theory calculations and molecular docking approach [0.03%]
探究离子液体通过改变阴离子与睾丸素/孕酮相互作用以对抗COVID-19：密度泛函理论计算和分子对接方法研究
Kamlesh Kumari,Ajay Kumar,Indra Bahadur et al.
Kamlesh Kumari et al.
Hormones like testosterone and progesterone in the humans play significant role in the regulation of various biological processes like the body growth, reproduction, and others. In last two decades, researchers are using ionic liquids (ILs)...
Bartłomiej J Jankiewicz,Nelson R Vinueza,Lindsey M Kirkpatrick et al.
Bartłomiej J Jankiewicz et al.
Reactive intermediates are key species involved in many chemical and biochemical processes. For example, carbon-centered aromatic σ,σ-biradicals formed in biological systems from naturally occurring enediyne antitumor antibiotics are resp...
Improving the Fluorescent Probe Acridonylalanine Through a Combination of Theory and Experiment [0.03%]
理论与实验结合改进荧光探针吖啶基甘氨酸
Itthipol Sungwienwong,John J Ferrie,Joomyung V Jun et al.
Itthipol Sungwienwong et al.
Acridonylalanine (Acd) is a useful fluorophore for studying proteins by fluorescence spectroscopy, but it can potentially be improved by being made longer wavelength or brighter. Here, we report the synthesis of Acd core derivatives and the...