Results 61 to 70 of about 11,587,644 (360)

Consolidate Overview of Ribonucleic Acid Molecular Dynamics: From Molecular Movements to Material Innovations

Advanced Engineering Materials, EarlyView.
Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley   +1 more source

Crystallinity and phase separation induced morphological modulation for efficient ternary all-polymer solar cells

APL Energy, 2023
All-polymer solar cells (all-PSCs) have attracted enormous attention and achieved significant progress in recent years due to their long-term stability and excellent film stretchability.
Mengzhen Sha, Bili Zhu, Qian Wang, Ping Deng, Xunfan Liao, Hang Yin, Xiaotao Hao   +6 more
doaj   +1 more source

Constructing Covalent Organic Polymers through Dative B─N Bonds: Synthesis, Single Crystal Structures, and Physical Properties

Advanced Functional Materials, EarlyView.
Dynamic linkages are highly attractive in preparing single crystals of covalent organic polymers (COPs). Here, single crystals of two COPs CityU‐15 and CityU‐16 based on reversible B─N bonds are constructed using tetra(4‐pyridyl)tetrathiafulvalene and tetra(4‐pyridyl)porphine as monomers.
Xin Wang, Lei Zhang, Xiang Wang, Tianqi Cheng, Miaomiao Xue, Qiang Dong, Yungkang Peng, Qichun Zhang   +7 more
wiley   +1 more source

Hydrogen Transfer from Hantzsch 1,4-Dihydropyridines to Carbon-Carbon Double Bonds under Microwave Irradiation

Molecules, 2002
1,4-Dihydropyridines (DHPs) have been used in the reduction of carbon-carbon double bonds under microwave irradiation without solvent. The efficiency of the reactions is dramatically dependent on the steric effects in the DHPs and on the electronic ...
Jean Jacques Vanden Eynde, Didier Barbry, Guy Cordonnier, Séverine Torchy   +3 more
doaj   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Ligand Effects on Intramolecular Configuration, Intermolecular Packing, and Optical Properties of Metal Nanoclusters

Nanomaterials, 2021
Surface modification has served as an efficient approach to dictate nanocluster structures and properties. In this work, based on an Ag22 nanocluster template, the effects of surface modification on intracluster constructions and intercluster packing ...
Sainan Wu, Xiao Wei, Hao Li, Honglei Shen, Jiaojiao Han, Xi Kang, Manzhou Zhu   +6 more
doaj   +1 more source

Pickering Emulsion for Enhanced Viability of Plant Growth Promoting Bacteria and Combined Delivery of Agrochemicals and Biologics

Advanced Functional Materials, EarlyView.
Cellulosic emulsions as multi‐cargo agriculture formulations. Pickering emulsions stabilized by cellulose acetate particles provide an effective platform for delivering a range of agricultural cargoes, including plant growth‐promoting bacteria and agrochemicals.
Mariam Sohail, John Cheadle, Rishum Khan, Hrishikesh Mane, Khandoker Samaher Salem, Katie Ernst, Adriana San Miguel, Charles H. Opperman, Tahira Pirzada, Nathan Crook, Saad A. Khan   +10 more
wiley   +1 more source

(How) does 1,3,5-triethylbenzene scaffolding work? Analyzing the abilities of 1,3,5-triethylbenzene- and 1,3,5-trimethylbenzene-based scaffolds to preorganize the binding elements of supramolecular hosts and to improve binding of targets

Beilstein Journal of Organic Chemistry, 2012
1,3,5-triethylbenzenes have been widely used as supramolecular templates to organize molecular-recognition elements. It is believed that the steric-gearing effect of the 1,3,5-triethylbenzene template directs the binding elements toward the same face of ...
Xing Wang, Fraser Hof
doaj   +1 more source

Replica-Exchange Method in van der Waals Radius Space: Overcoming Steric Restrictions for Biomolecules [PDF]

, 2009
We present a new type of the Hamiltonian replica-exchange method, in which not temperatures but the van der Waals radius parameter is exchanged. By decreasing the van der Waals radii that control spatial sizes of atoms, this Hamiltonian replica-exchange method overcomes the steric restrictions and energy barriers.
arxiv   +1 more source

Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization

, 2017
A series of ortho-dibenzhydryl or ortho-sec-phenethyl substituted α-diimine nickel complexes with systematically varied ligand steric effects were used as precatalysts for the polymerization of ethylene and 1-hexene upon activation with Et2AlCl.
Jinlong Sun, Fuzhou Wang, Weimin Li, Min Chen   +3 more
semanticscholar   +1 more source