Results 81 to 90 of about 142,813 (213)

Possible bi-stable structures of pyrenebutanoic acid-linked protein molecules adsorbed on graphene: theoretical study

Beilstein Journal of Organic Chemistry
We theoretically analyze possible multiple conformations of protein molecules immobilized by 1-pyrenebutanoic acid succinimidyl ester (PASE) linkers on graphene. The activation barrier between two bi-stable conformations exhibited by PASE is confirmed to
Yasuhiro Oishi, Motoharu Kitatani, Koichi Kusakabe   +2 more
doaj   +1 more source

Influence of chemical speciation on the separation of metal ions from chelating agents by nanofiltration membranes [PDF]

, 2018
The simultaneous separation of various metal ions (nickel, copper, calcium, and iron) from chelating agents (EDTA and citric acid in water streams using Nanofiltration membranes is analyzed.
Balanya Martí, Teresa, Labanda Angulo, Jordi, Llorens Llacuna, Joan, Sabaté Reboll, José   +3 more
core   +2 more sources

Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics [PDF]

, 2012
We applied the compress-and-shear reactive dynamics (CS-RD) simulation model to study the anisotropic shock sensitivity of cyclotrimethylene trinitramine (RDX) crystals.
An, Qi, Goddard, William A., III, Kim, Hyungjun, Zybin, Sergey V.   +3 more
core   +2 more sources

Catalyst-Dependent Chemoselectivity in the Dirhodium-Catalyzed Cyclization Reactions Between Enodiazoacetamide and Nitrosoarene: A Theoretical Study

Frontiers in Chemistry, 2019
N-O heterocycle compounds play an important role in various fields. Doyle et al. (Cheng et al., 2017) have recently reported an efficient catalyst-controlled selective cyclization reactions of tert-butyldimethylsilyl (TBS)-protected enoldiazoacetamides ...
Yan Zhang, Yongsheng Yang, Ruyu Zhu, Xingyu Wang, Ying Xue   +4 more
doaj   +1 more source

Anisotropic shock sensitivity for β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine energetic material under compressive-shear loading from ReaxFF-ℓg reactive dynamics simulations [PDF]

, 2012
We report here the predictions on anisotropy of shock sensitivity and of chemical process initiation in single crystal β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) using compressive shear reactive dynamics (CS-RD) model with ReaxFF-ℓg ...
Goddard, William A., III, Huang, Fenglie, Liu, Yi, Zhou, Tingting, Zybin, Sergey V.   +4 more
core  

Influence of an adsorbing polymer in the aging dynamics of Laponite clay suspensions [PDF]

, 2008
Clay-polymer dispersions in aqueous solutions have attracted a great interest in recent years due to their industrial applications and intriguing physical properties.
Ruocco, G., Ruzicka, B., Zulian, L.
core   +3 more sources

Biochemical analysis of human Dna2 [PDF]

, 2006
Yeast Dna2 helicase/nuclease is essential for DNA replication and assists FEN1 nuclease in processing a subset of Okazaki fragments that have long single-stranded 5' flaps. It is also involved in the maintenance of telomeres.
Campbell, Judith L., Imamura, Osamu, Masuda-Sasa, Taro   +2 more
core   +4 more sources

Rationally designed universal passivator for high-performance single-junction and tandem perovskite solar cells

Nature Communications
Interfacial trap-assisted nonradiative recombination hampers the development of metal halide perovskite solar cells (PSCs). Herein, we report a rationally designed universal passivator to realize highly efficient and stable single junction and tandem ...
Zuolin Zhang, Yinsu Feng, Jike Ding, Quanxing Ma, Hong Zhang, Jiajia Zhang, Mengjia Li, Taoran Geng, Wenhuan Gao, Yang Wang, Boxue Zhang, Thierry Pauporté, Jian-Xin Tang, Hongjian Chen, Jiangzhao Chen, Cong Chen   +15 more
doaj   +1 more source

Pt(II) Derivatives with Rollover-Coordinated 6-substituted 2,2′-bipyridines: Ligands with Multiple Personalities

Applied Sciences, 2020
We report here the synthesis, characterization and behavior of a series of Pt(II) cyclometalated rollover complexes with two substituted bipyridines, 6-ethyl-2,2′-bipyridine (bpy6Et) and 6-methoxy-2,2′-bipyridine (bpy6OMe), in comparison with previously ...
Antonio Zucca, Luca Maidich, Maria I. Pilo, Sara Pischedda, Mondina Sedda, Sergio Stoccoro   +5 more
doaj   +1 more source

Factors Dictating Carbene Formation at (PNP)Ir [PDF]

, 2010
The mechanistic subtleties involved with the interaction of an amido/bis(phosphine)-supported (PNP)Ir fragment with a series of linear and cyclic ethers have been investigated using density functional theory.
Ariafard, Alireza, Brookes, Nigel J., Grubbs, Robert H., Stranger, Robert, Whited, Matthew T., Yates, Brian F.   +5 more
core   +1 more source