Enhancing [Formula: see text] Generation Using Activated Carbon Electrocatalyst Cathode: Experimental and Computational Insights on Current, Cathode Design, and Reactor Configuration [0.03%]
利用活性炭电催化剂阴极增强[Formula: see text]生成：电流、阴极设计和反应器配置的实验和计算见解
Maria Del Mar Cerrillo-Gonzalez,Amir Taqieddin,Stephanie Sarrouf et al.
Maria Del Mar Cerrillo-Gonzalez et al.
Granular activated carbon (GAC) serves as a cost-efficient electrocatalyst cathode in electrochemical water treatment. This study investigates the impact of current intensity and cathode mesh size on the electrocatalytic generation of react...
Engineering Electrode Polarity for Enhancing In Situ Generation of Hydroxyl Radicals Using Granular Activated Carbon [0.03%]
工程电极极性以增强使用颗粒活性炭的原位羟基自由基生成能力
Stephanie Sarrouf,Amir Taqieddin,Muhammad Fahad Ehsan et al.
Stephanie Sarrouf et al.
Recently, granular activated carbon (GAC) has shown its effectiveness as a cathode material for in situ ROS generation. Here, we present an electrochemically modified GAC cathode using electrode polarity reversal (PR) approach for enhanced ...
Origins of Enhanced Enantioselectivity in the Pd-Catalyzed Decarboxylative Allylic Alkylation of N-Benzoyl Lactams [0.03%]
手性N-苄氧羰基 lactam 的钯催化去羧基 allylic alkylation 反应的对映选择性增强机制研究
Alexander Q Cusumano,Tianyi Zhang,William A Goddard rd et al.
Alexander Q Cusumano et al.
We explore the origins of the marked improvement in enantioselectivity in the inner-sphere (PHOX)Pd-catalyzed allylic alkylation of N-benzoyl lactam nucleophiles over their carbocyclic counterparts. We employ density functional theory calcu...
In Vivo, High-Throughput Selection of Thermostable Cyclohexanone Monooxygenase (CHMO) [0.03%]
体内高通量筛选耐热性的环己酮单加氧酶(CHMO)
Sarah Maxel,Linyue Zhang,Edward King et al.
Sarah Maxel et al.
Cyclohexanone monooxygenase (CHMO) from Acinetobacter sp. NCIMB 9871 is characterized as having wide substrate versatility for the biooxidation of (cyclic) ketones into esters and lactones with high stereospecificity. Despite industrial pot...
Dennis S Winston,David D Boehr
Dennis S Winston
Regulatory processes in biology can be re-conceptualized in terms of logic gates, analogous to those in computer science. Frequently, biological systems need to respond to multiple, sometimes conflicting, inputs to provide the correct outpu...
Computational Analysis of Structure - Activity Relationships in Highly Active Homogeneous Ruthenium-based Water Oxidation Catalysts [0.03%]
高活性均相钌基水氧化催化剂的结构-性能关系的计算分析
Gabriel Bury,Yulia Pushkar
Gabriel Bury
Linear free energy scaling relationships (LFESRs) and regression analysis may predict the catalytic performance of heterogeneous and recently, homogenous water oxidation catalysts (WOCs). This study analyses twelve homogeneous Ru-based cata...
Fenghai Guo,Jayla A Young,Mina S Perez et al.
Fenghai Guo et al.
Carbon-carbon bond formation is one of the most important tools in synthetic organic chemists' toolbox. It is a fundamental transformation that allows synthetic chemists to synthesize the carbon framework of complex molecules from inexpensi...
Stimulation of Akt Phosphorylation and Glucose Transport by Metalloporphyrins with Peroxynitrite Decomposition Catalytic Activity [0.03%]
具有催化降解过氧亚硝酸盐活性的金属卟啉对Akt磷酸化和葡萄糖转运的促进作用
Amanda M Eccardt,Ross J Pelzel,Thomas P Bell et al.
Amanda M Eccardt et al.
Iron porphyrin molecules such as hemin and iron(III) 4,4',4″,4‴-(porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid) (FeTBAP) have previously been shown to influence insulin signaling and glucose metabolism. We undertook this study to dete...
Zinc-Acetate-Amine Complexes as Precursors to ZnO and the Effect of the Amine on Nanoparticle Morphology, Size, and Photocatalytic Activity [0.03%]
锌-醋酸盐-胺配合物作为氧化锌的前驱体以及胺对纳米粒子形貌、尺寸和光催化活性的影响
Jerry D Harris,Emily A Wade,Emmaline G Ellison et al.
Jerry D Harris et al.
Zinc oxide is an environmentally friendly and readily synthesized semiconductor with many industrial applications. ZnO powders were prepared by alkali precipitation using different [Zn(acetate)2(amine)x] compounds to alter the particle size...
Steps toward Rationalization of the Enantiomeric Excess of the Sakurai-Hosomi-Denmark Allylation Catalyzed by Biisoquinoline N,N'-Dioxides Using Computations [0.03%]
计算指导的双异喹啉N,N'-二氧化物催化萨库拉伊-细见-丹麦丙烯基化反应对映体过量值优化研究步骤
Pierpaolo Morgante,Coty Deluca,Tegla E Jones et al.
Pierpaolo Morgante et al.
Allylation reactions of aldehydes are chemical transformations of fundamental interest, as they give direct access to chiral homoallylic alcohols. In this work, we focus on the full computational characterization of the catalytic activity o...