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Design, synthesis and biological evaluation of dehydroabietic acid derivative as potent vasodilatory agents
Dehydroabietic acid Vasodilation Inflammation Endothelial nitric oxide synthasec GMP
2023/11/30
Using dehydroabietic acid as the lead compound for structural modification, 25 dehydroabietic acid derivatives were synthesized. Among them, compound D1 not only showed the strongest relaxation effect...
Academy of Mathematics and Systems Science, CAS Colloquia & Seminars:Numerical simulation and optimal design of fissure karst type high-temperature thermal storage and development
裂隙岩溶型 高温储热开发 数值模拟 优化设计
2023/11/6
Computer-Aided Polymer Design: Integrating Group Contribution and Molecular Dynamics
Polymer Design Integrating Group Contribution Molecular Dynamics
2023/6/19
Polymers are widely used to manufacture many chemical products. Often, polymers are designed by trial-and-error, which is expensive and time-consuming. In this work, a new optimization-based computer-...
Design and control of a novel side-stream extractive distillation column for separating methanol-toluene binary azeotrope with intermediate boiling entrainer
Side-stream extractive distillation column intermediate boiling entrainer Dynamic control Binary azeotrope Methanol-toluene
2023/6/19
It is innovative and important to perform complex binary azeotrope separation via single distillation column. In the article, design and control of a novel and simple side-stream extractive distillati...
Computer-aided reaction solvent design considering inertness using group contribution-based reaction thermodynamic model
CAMD MINLP model Reaction solvent Group contribution Inertness
2023/6/19
Solvents have been widely used in process manufacturing industries. When involved in liquid-phase organic synthesis reactions, solvents can reduce the activation energy of reactions between the reacta...
Machine learning-based atom contribution method for the prediction of surface charge density profiles and solvent design
atom contribution computer-aided molecular design decomposition-based algorithm machine learning
2023/6/19
Solvents are widely used in chemical processes. The use of efficient model-based solvent selection techniques is an option worth considering for rapid identification of candidates with better economic...
Design and comparison of conventional and side-stream extractive distillation sequences for separating the methanol-toluene binary azeotrope with intermediate boiling entrainer
Side-stream extractive distillation Separation sequences Intermediate boiling entrainer Eco-efficiency analysis Methanol-toluene
2023/6/19
The side-stream extractive distillation (SSED) system is attracting widespread attention due to its high eco-efficiency. In the article, three double-column SSED (DC-SSED) sequences and two single-col...
Integrated solvent-process design methodology based on COSMO-SAC and quantum mechanics for TMQ (2,2,4-trimethyl-1,2-H-dihydroquinoline) production
Solvent design Process design COSMO-SAC Quantum mechanics 2,2,4-trimethyl-1,2-H-dihydroquinoline
2023/6/19
TMQ (2,2,4-trimethyl-1,2-H-dihydroquinoline) is an important antioxidant because of relatively low price and ease of application in rubber production technologies. However, due to the limited experime...
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【Soft Matter Lecture 131】By-design Functional Polymeric Materials Enabled by Dynamic Covalent Chemistry
Functional Polymeric Materials Dynamic Covalent Chemistry
2023/6/19
【Soft Matter Lecture 131】By-design Functional Polymeric Materials Enabled by Dynamic Covalent Chemistry
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WENRA calls on industry to help expedite reactor design assessments(图)
WEMRA 反应堆设计 西欧核监管机构协会
2023/4/17
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Scientists use computational modeling to design “ultrastable” materials(图)
计算建模 “超稳定”材料 金属有机框架
2023/6/6
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华南理工大学电子与信息学院薛泉、廖绍伟两位教授指导的Reconfigurable Future学生团队晋级IEEE-APS Student Design Contest半决赛
薛泉 廖绍伟 Reconfigurable Future IEEE-APS Student Design Contest 红外感知 电磁波
2024/4/17