Radiolabelling an 18F biologic via facile IEDDA "click" chemistry on the GE FASTLab™ platform [0.03%]
基于GE FASTLab™平台通过简易“点击”化学实现生物素类药物的18F放射性标记
Louis Allott,Ala Amgheib,Chris Barnes et al.
Louis Allott et al.
The use of biologics in positron emission tomography (PET) imaging is an important area of radiopharmaceutical development and new automated methods are required to facilitate their production. We report an automated radiosynthesis method t...
Continuous flow synthesis of a pharmaceutical intermediate: a computational fluid dynamics approach [0.03%]
连续流动合成制药中间体的计算流体力学方法研究论文题目示例
Cameron T Armstrong,Cailean Q Pritchard,Daniel W Cook et al.
Cameron T Armstrong et al.
Continuous flow chemistry has the potential to greatly improve efficiency in the synthesis of active pharmaceutical ingredients (APIs); however, the optimization of these processes can be complicated by a large number of variables affecting...
Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation [0.03%]
利用大规模电子结构模拟揭示酶催化中的量子力学效应
Zhongyue Yang,Rimsha Mehmood,Mengyi Wang et al.
Zhongyue Yang et al.
Enzymes have evolved to facilitate challenging reactions at ambient conditions with specificity seldom matched by other catalysts. Computational modeling provides valuable insight into catalytic mechanism, and the large size of enzymes mand...
A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces [0.03%]
用于预测晚过渡金属表面多环芳烃吸附能量的拓扑模型
Zhao-Bin Ding,Matteo Tommasini,Matteo Maestri
Zhao-Bin Ding
We introduce and validate by first-principles calculations an analogy between metal coordination chemistry and the adsorption of polycyclic aromatic hydrocarbons (PAHs) at metal surfaces for the derivation of a model for predicting the PAH ...
Coupling CFD-DEM and microkinetic modeling of surface chemistry for the simulation of catalytic fluidized systems [0.03%]
耦合CFD-DEM和表面化学微动力学模型模拟催化流化体系
Riccardo Uglietti,Mauro Bracconi,Matteo Maestri
Riccardo Uglietti
In this work, we propose numerical methodologies to combine detailed microkinetic modeling and Eulerian-Lagrangian methods for the multiscale simulation of fluidized bed reactors. In particular, we couple the hydrodynamics description by co...
Christopher A Hone,Nicholas Holmes,Geoffrey R Akien et al.
Christopher A Hone et al.
Today, the generation of kinetic models is still seen as a resource intensive and specialised activity. We report an efficient method of generating reaction profiles from transient flows using a state-of-the-art continuous-flow platform. Ex...
Suzuki-Miyaura cross-coupling optimization enabled by automated feedback [0.03%]
自动化反馈支持的 Suzuki-Miyaura 交叉偶联优化
Brandon J Reizman,Yi-Ming Wang,Stephen L Buchwald et al.
Brandon J Reizman et al.
An automated, droplet-flow microfluidic system explores and optimizes Pd-catalyzed Suzuki-Miyaura cross-coupling reactions. A smart optimal DoE-based algorithm is implemented to increase the turnover number and yield of the catalytic system...
A multistep continuous flow synthesis machine for the preparation of pyrazoles via a metal-free amine-redox process [0.03%]
一种用于通过非金属胺氧化还原过程制备吡唑的多步连续流动合成装置
Jian-Siang Poh,Duncan L Browne,Steven V Ley
Jian-Siang Poh
A versatile multistep continuous flow setup is reported for the four-step conversion of anilines into pyrazole products. The synthesis machine incorporates the use of amine-redox chemistry through diazotization and a metal-free vitamin C me...
In Situ FTIR Spectroscopic Monitoring of Electrochemically Controlled Organic Reactions in a Recycle Reactor [0.03%]
在循环反应器中电化学控制有机反应的原位傅里叶变换红外光谱监测
Alexander G O&#x;Brien,Oana R Luca,Phil S Baran et al.
Alexander G O&#x;Brien et al.
An electrochemical cell coupled with a recycle loop through a transmission FTIR cell is employed in studies of two free radical organic reactions, the oxidation of allylic alcohols and the trifluoromethylation of heteroarenes. Rapid mixing ...