Scanning Tunneling Microscope-Based Break-Junction TechniqueA Tutorial [0.03%]
基于扫描隧道显微镜的断结技术——教程式回顾
Emma York,Latha Venkataraman
Emma York
Over the past two decades, molecular electronics has made significant progress toward discovering nanoscale analogues of conventional electronic components, largely enabled by the development of the scanning tunneling microscope-based break...
Role of Small Membrane Proteins in the Green Sulfur Bacterial Reaction Center [0.03%]
绿硫细菌反应中心中小膜蛋白的作用
Alexandros Lyratzakis,Ariadni Konstantopoulou,Evangelia-Vasiliki Fragkaki et al.
Alexandros Lyratzakis et al.
The highly efficient light-driven energy conversion in large biological complexes, such as the Photosynthetic Reaction Center (RC) of green sulfur bacteria (GSB), relies on precisely tuned protein dynamics and intersubunit communication. Sm...
The Seasons of a Career in Physical Chemistry: Olivia Harper Wilkins [0.03%]
物理化学职业生涯的四季：奥利维亚·哈珀·威尔金斯
Olivia H Wilkins,Joan-Emma Shea,Gregory D Scholes et al.
Olivia H Wilkins et al.
Heavy Water Remodels the DNA Energy Landscape to Stabilize Folded States and Slow Transitions [0.03%]
重水通过重塑DNA的自由能景观来稳定折叠构象和减缓构象间的转换
Sung Eun Kim,Hyeon-Min Moon,Il-Buem Lee et al.
Sung Eun Kim et al.
Heavy water (D2O) subtly strengthens hydrogen bonds, yet its full biological impact has remained fragmentary and controversial. Here we present an integrated, multi-scale study showing that D2O consistently fortifies DNA while dampening lif...
Free-Energy Profiles of Confined Reactions: Influence of Confinement Type and Challenges for Metadynamics Methods [0.03%]
受限反应的自由能谱：限制类型的影响及元动力学方法面临的挑战
Michelle Ernst,Jürg Hutter
Michelle Ernst
Metadynamics enables the reconstruction of free-energy surfaces from molecular dynamics; however, its application is often challenging because numerous methodological choices can influence the results. Here, we focus on how geometric confin...
Chirality Transfer in Gold Nanoclusters: Insights from Chiral Spectroscopy and Theoretical Modeling [0.03%]
基于手性光谱学和理论模型的金纳米团簇中的手性转移现象研究
Rareş Banu,Chiara Morassut,Ariel Perez Mellor et al.
Rareş Banu et al.
Chirality in atomically precise gold nanoclusters emerges from the interplay among the metal core, the metal-ligand interface, and the ligand shell, yet how these hierarchical elements influence ligand conformation remains unclear. This wor...
Cation-Surface Interactions During Electrocatalytic Hydrogen Evolution Probed by Surface X‑ray Diffraction [0.03%]
表面X射线衍射探测电催化产氢过程中的阳离子-表面相互作用
Mariana C O Monteiro,Leon Jacobse,Arthur M V Hagopian et al.
Mariana C O Monteiro et al.
The electrocatalytic production of hydrogen is pivotal for the sustainable generation of hydrogen fuel and hydrogen as reducing agent. Metal cations in alkaline electrolytes can facilitate or significantly impede this reaction, depending on...
Antonio Grimaldi,Billy Hobbs,Michele Stofella et al.
Antonio Grimaldi et al.
Hydrogen-deuterium exchange (HDX) of protein backbone amides provides a powerful probe of conformational dynamics. However, when experiments are performed in H2O/D2O mixtures, quantitative interpretation is hindered by back exchange and iso...
A Tutorial on Mechanistic Modeling of Nonstatistical Reactivity: Example of Light and Heat Effects in the Garratt-Braverman/[1,5]‑H Shift of Ene-diallenes [0.03%]
非统计反应机制建模教程：关于加拉特-布拉弗曼/[1,5]-氢迁移中光和热效应的示例
Tomislav Rožić,Yuxuan Hou,Lea K Northcote et al.
Tomislav Rožić et al.
Broad terms in the literature, such as nonstatistical reactivity or nontraditional luminescence, emerge when standard theories fail to explain experimental results. In the case of nonstatistical and dynamic effects, reaction rates and produ...
Noncovalent Catalysis of Renewable Chitosan Biopolymer for the Conversion of CO2 to Green Urea for Sustainable Agriculture [0.03%]
用于可持续农业的二氧化碳制备绿色尿素的可再生壳聚糖生物聚合物非共价催化转换
Abdul Hamid Malhan,Rudharachari Parameshwari,Krishnan Thirumoorthy
Abdul Hamid Malhan
The present study employs density functional theory to investigate the noncovalent catalysis by chitosan for the conversion of CO2 and NH3 to urea, addressing the pressing need for carbon capture and utilization by converting captured CO2 f...