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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...
Covering the Combinatorial Design Space of Multiplex CRISPR/Cas Experiments in Plants
combinatorial gene knockout libraries crop breeding experimental design multiplex CRISPR/Cas screens plant genetic studies
2023/11/28
Over the past years, CRISPR/Cas-mediated genome editing has revolutionized plant genetic studies and crop breeding. Specifically, due to its ability to simultaneously target multiple genes, the multip...
Combining ability from complete diallel design of Camellia oleifera: Implications for the utility of GCA and SCA in oil-related traits breeding
油茶 油脂性状 遗传差异
2024/5/10
Crossbreeding of the elite clones is an important strategy to breed the new germplasms of Camellia oleifera capable of higher oil yield and quality. While the genetic control model and heterosis of oi...
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
我国中低温地热直接利用世界第1，包括温泉洗浴、空间供暖等；高温地热资源储量虽然丰富，但其发电仅排世界第18，利用率不高。裂隙岩溶型地热资源作为主要高温地热资源类型，我国隐伏碳酸盐岩面积达250万平方公里以上，初步估算0-3km深度区间的热能量相当于5000-50000亿吨标煤，雄安是典型地区；同时，我国油气伴生缝洞型地热资源丰富，具有埋藏深、温度高的特点。对此，基于离散缝洞网络模型，形成了考虑渗流...
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...
Struggling to design green buildings amid shifting legal, tech landscape（图）
法律 技术格局 绿色建筑 全球变暖 极端天气事件
2023/6/19
The push to prepare American cities and towns for greater climate resilience has become more urgent in recent years as scientific evidence of warming mounts and extreme weather events grow more common...
【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
Engineers design sutures that can deliver drugs or sense inflammation（图）
输送药物 感知炎症 缝合线 生物衍生
2023/6/5
Inspired by sutures developed thousands of years ago, MIT engineers have designed “smart” sutures that can not only hold tissue in place, but also detect inflammation and release drugs.
Jacobs has been awarded a contract to design and engineer maintenance systems for the International Thermonuclear Experimental Reactor (ITER) fusion project.
Academy of Mathematics and Systems Science, CAS Colloquia & Seminars：Computation and Design of Electrochemical Energy Storage Materials
电化学 储能材料 计算设计
2023/4/25
The key to electrochemical energy storage systems such as Li/Na-ion batteries is materials. The traditional method for exploring new materials is trial-and-error, which often takes a dozen years durin...