Structural Prediction of Coronavirus s2m Kissing Complexes and Extended Duplexes [0.03%]
冠状病毒s2m亲吻复合物和延伸双链的结构预测
Adam H Kensinger,Joseph A Makowski,Mihaela Rita Mihailescu et al.
Adam H Kensinger et al.
The three-dimensional (3D) atomistic-resolution structure and dynamics of RNA kissing complexes (KCs) and extended duplexes (EDs), homodimers formed through palindromic base pairing, are crucial for understanding viral replication and struc...
Ultra-Fast Electrochemical Expansion for Rapid Enhancement of Graphite Paper Electrode [0.03%]
超快电化学膨胀增强石墨纸电极性能
Praeploy Chomkhuntod,Sukanlaya Kornnum,Sirintra Arayawate et al.
Praeploy Chomkhuntod et al.
Graphite paper is widely used in energy storage systems such as batteries and supercapacitors due to its availability, cost, and excellent chemical and thermal stability. However, its hydrophobic surface and dense structure limit electrolyt...
Clark Otey,Mukund Sharma,Jazmine Prana et al.
Clark Otey et al.
Solution-based single-molecule conductance measurements of α,ω-bis-(carboxylic acids) are conveniently performed using a high-boiling-point nonconducting ethereal solvent. First-principles calculations support experimental observations th...
Molecular Dynamics Simulations of Self-Assembled E2(SW)6E2 Peptide Nanofibers: Implications for Drug Delivery and Biomimetic Material Design [0.03%]
自我组装的E2(SW)6E2肽纳米纤维的分子动力学模拟：药物传输和仿生材料设计的意义
Karinna Mendanha,Guilherme Colherinhas
Karinna Mendanha
This work investigates the molecular dynamics of the peptide nanofiber E2(SW)6E2, a biomolecule/structure in an aqueous solution, characterized by hydrophilic and hydrophobic contrasts. Through classical molecular dynamics simulations, the ...
Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity [0.03%]
物理吸附分子催化剂的取向及其对选择性的启示
Guillaume P Laurent,Samuel L Leonard,Mita Halder et al.
Guillaume P Laurent et al.
Confinement effects in stereoselective catalysis have been the topic of prolonged inquiry. Results have been largely mixed, with confinement having been reported to both enhance and degrade selectivity. Our ability to understand the surface...
Photoabsorption and Photoionization Cross-Sections and Asymmetry Parameters of Pyrrole in the Vacuum-Ultraviolet Energy Range [0.03%]
吡咯分子真空紫外线光吸收与光离解横截面及不对称参数的理论研究
Mariana B M S Medeiros,Josenilton N Sousa,Manuela S Arruda et al.
Mariana B M S Medeiros et al.
We carried out a joint experimental and theoretical investigation of the interaction of vacuum-ultraviolet radiation with pyrrole molecules in the gas phase. A double-ion chamber spectrometer was used to measure the absolute photoabsorption...
Impact of the Channel Length in Nanoporous Electric Double-Layer Capacitors on the Charge Transport Explored by Metal-Organic Framework Films [0.03%]
基于金属有机骨架薄膜的纳米多孔超级电容器中通道长度对电荷输运的影响研究
Yidong Liu,Abhinav Chandresh,Lars Heinke
Yidong Liu
For enhancing the performance of electric double-layer capacitors, the porous electrodes must be further optimized. While many studies on electrolyte and electrode structures enable detailed insights, the length of the pore channels of the ...
"Button-on-a-String" Mechanism in Water, the Ultrafast UV-to-Heat Conversion by Mycosporine-like Amino Acid Porphyra-334 of Natural Sunscreen Compound [0.03%]
类似氨基酸的超快紫外转热化合物叶绿素a-334的“绳索按扣”机制研究
Makoto Hatakeyama,Shinichiro Nakamura
Makoto Hatakeyama
Mycosporine-like amino acids (MAAs) are a family of hydrophilic sunscreen compounds synthesized by aquatic organisms, such as algae and cyanobacteria. In this study, we demonstrate that porphyra-334, which is a common MAA, decays nonradiati...
Unveiling the Impact of Spin and Cation Dynamics on Raman Spectroscopy in Co-Ferrite [0.03%]
Co铁酸盐中自旋和阳离子动力学对拉曼光谱影响的揭示
Tahani Saad Almutairi
Tahani Saad Almutairi
Raman spectroscopy offers profound insights into the vibrational dynamics of spinel ferrites, yet the precise assignment of these modes presents a notable challenge. This difficulty stems from the complex structure of spinel ferrites, where...
Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms [0.03%]
用于分子热管理的重元素溶液：利用重原子抑制声子输运
William Bro-Jørgensen,Andreas Juul Bay-Smidt,Davide Donadio et al.
William Bro-Jørgensen et al.
Thermal management in molecular systems presents challenges that require a deeper understanding of phonon transport, an essential aspect of heat conduction in single-molecule junctions. Our work introduces the use of heavy atoms as a strate...