Rapid Access to 3-Substituted Bicyclo[1.1.1]pentanes [0.03%]
快速获得3-取代桥环化合物bicyclo[1.1.1] pentane类化合物
Katherine I Burton,David W C MacMillan
Katherine I Burton
The prevalence of benzene rings in pharmaceutical scaffolds has prompted efforts to identify structural bioisosteres with improved in vivo properties. Notably, bicyclo[1.1.1]pentanes (BCPs)-C(sp3)-enriched, 1,4-disubstituted phenyl bioisost...
Departure from randomness: Evolution of self-replicators that can self-sort through steric zipper formation [0.03%]
非随机性进化：通过立体拉链形成进行自我分类的自复制分子的进化
Marcel J Eleveld,Juntian Wu,Kai Liu et al.
Marcel J Eleveld et al.
Darwinian evolution of self-replicating entities most likely played a key role in the emergence of life from inanimate matter. For evolution to occur, self-replicators must (1) have structural space accessible to them, (2) occupy only part ...
Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism [0.03%]
基于分钟尺度自由能计算的腺苷A2A受体激活机制中伪活化态的发现
Vincenzo Maria D&#x;Amore,Paolo Conflitti,Luciana Marinelli et al.
Vincenzo Maria D&#x;Amore et al.
G protein-coupled receptors (GPCRs) are membrane proteins targeted by over one-third of marketed drugs. Understanding their activation mechanism is essential for precise regulation of drug pharmacological response. In this work, we elucidat...
Controlled catalyst-transfer polymerization in graphene nanoribbon synthesis [0.03%]
石墨烯纳米带合成中的控制催化剂转移聚合反应
Sai Ho Pun,Aidan Delgado,Christina Dadich et al.
Sai Ho Pun et al.
Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) is intimately linked to geometric boundary conditions imposed by the structure of the ribbon. Besides c...
Dynamic Vertical Triplet Energies: Understanding and Predicting Triplet Energy Transfer [0.03%]
动态垂直三重态能量：理解和预测三重态能量转移
Mihai V Popescu,Robert S Paton
Mihai V Popescu
A computational approach for modeling and predicting triplet energy sensitization of organic molecules is described, which involves sampling the instantaneous, vertical energy gaps over molecular vibrational motions. This approach provides ...
Overcoming Drug Resistance by Targeting Cancer Bioenergetics with an Activatable Prodrug [0.03%]
通过激活前药靶向癌症生物能量学来克服药物抗性
Amit Sharma,Min-Goo Lee,Hu Shi et al.
Amit Sharma et al.
Nearly without exception, all known cancer chemotherapeutics elicit a resistance response over time. The resulting resistance is correlated with poor clinical outcomes. Here, we report an approach to overcoming resistance through reprogramm...
Self-Activated Energy Release Cascade from Anthracene-Based Solid-State Molecular Solar Thermal Energy Storage Systems [0.03%]
基于苊烯的固态分子太阳能热储能系统的自发活化放能反应
Subhayan Chakraborty,Han P Q Nguyen,Junichi Usuba et al.
Subhayan Chakraborty et al.
We introduce donor-acceptor substituted anthracenes as effective molecular solar thermal energy storage compounds that operate exclusively in the solid state. The donor-acceptor anthracenes undergo visible light-induced [4+4] cycloaddition ...
Transition Metal-Free Difunctionalization of Unactivated Alkenes: Arylation/Azidation, Arylation/Chlorination, and Arylation/Cyanation [0.03%]
非过渡金属二官能化反应活化未活化的烯烃：芳基化/叠氮化、芳基化/氯化和芳基化/氰化
Li Li,Viresh H Rawal
Li Li
Arylethylamines represent a privileged scaffold in pharmaceutical compounds and form the backbone of many medical drugs, including those used for treating neurological diseases and pain. Their biomedical significance has inspired new synthe...
Boron Cluster Organocatalysis [0.03%]
硼簇有机催化
Andrew J Baublis,Alexander M Spokoyny
Andrew J Baublis
A High-Throughput Workflow to Analyze Sequence-Conformation Relationships and Explore Hydrophobic Patterning in Disordered Peptoids [0.03%]
用于分析序列-构象关系及探索无序肽类中疏水性图谱的高通量工作流程
Erin C Day,Supraja S Chittari,Keila C Cunha et al.
Erin C Day et al.
Understanding how a macromolecule's primary sequence governs its conformational landscape is crucial for elucidating its function, yet these design principles are still emerging for macromolecules with intrinsic disorder. Herein, we introdu...