Results 51 to 60 of about 68,979 (246)

Chlorinated Benzo[1,2‐b:4,5‐c′]dithiophene‐4,8‐dione Polymer Donor: A Small Atom Makes a Big Difference

Advanced Science, 2021
The position of a chlorine atom in a charge carrier of polymer solar cells (PSCs) is important to boost their photovoltaic performance. Herein, two chlorinated D‐A conjugated polymers PBBD‐Cl‐α and PBBD‐Cl‐β are synthesized based on two new building ...
Pengjie Chao, Hui Chen, Mingrui Pu, Yulin Zhu, Liang Han, Nan Zheng, Jiadong Zhou, Xiaoyong Chang, Daize Mo, Zengqi Xie, Hong Meng, Feng He   +11 more
doaj   +1 more source

π-Depletion as criterion to predict π-stacking ability [PDF]

The screening of molecular targets benefits greatly from rational design criteria, which can detect the most promising candidates. We demonstrate that π-depleted polyaromatic molecules present superior π-stacking ability.
Gonthier, Jérôme, Steinmann, Stephan, Roch, Loïc, Luisier, Nicolas, Corminboeuf, Clemence, Ruggi, Albert, Severin, Kay   +6 more
core   +1 more source

An unexpected alternative viologen electron mediator site in tungsten‐containing formate dehydrogenase

FEBS Letters, EarlyView.
An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley   +1 more source

4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)thiazole

IUCrData, 2018
In the title compound, C37H28BrClN8O, the linked chlorophenyl, pyrazolyl and thiazolyl ringss are almost coplanar, with dihedral angles of 0.6 (3)° between the chlorophenyl and pyrazolyl rings and 5.4 (3)° between the pyrazolyl and thiazolyl rings.
Gamal A. El-Hiti, Hanan A. Mohamed, Bakr F. Abdel-Wahab, Mohammad Hayal Alotaibi, Amany S. Hegazy, Benson M. Kariuki   +5 more
doaj   +1 more source

π–π Stacking in Kerogen and Its Mechanical Impact [PDF]

Kerogen is a key source of hydrocarbon production through hydraulic fracturing. However, the direct correlation between the molecular structure and mechanical properties remains unclear.
Minor, Andrew M, Hull, Katherine L, Xie, Yule, Jorgens, Danielle M, Huang, Xi, Hosemann, Peter, Zhang, Ruopeng, Ophus, Colin, Bustillo, Karen C, Abousleiman, Younane, Xie, Yujun   +10 more
core   +1 more source

Sensitive Detection of Polycyclic Aromatic Molecules: Surface Enhanced Raman Scattering via π–π Stacking [PDF]

, 2016
We report silver nanoparticles (Ag NPs) with high stability, sensitivity, and no surface enhanced Raman scattering (SERS) background. The Ag NPs were synthesized via a one-step process with polysodium styrenesulfonate (PSSS) templates, and they could ...
Sanjun Zhang (1850644), Xiantong Yu (2584888), Taiqun Yang (1850650), Lei Li (29537), Yufeng Yuan (1850647), Haifeng Pan (1689151), Jianhua Xu (518129), Yuting Chen (151583), Qiang Zhang (45005), Mengfang Chang (2584885), Li Li (14993)   +10 more
core   +1 more source

Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function

FEBS Open Bio, EarlyView.
We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke, Michal Banasik, Rokas Juodeikis, Martin J. Warren, Richard W. Pickersgill   +4 more
wiley   +1 more source

Crystal structure of the borabenzene–2,6-lutidine adduct

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C12H14BN, the complete molecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis.
Lauri Kivijärvi, Matti Haukka
doaj   +1 more source

π–π stacking induced high current density and improved efficiency in ternary organic solar cells [PDF]

, 2018
We demonstrated that strengthening π–π stacking is an effective way to improve the efficiency of organic solar cells.
Xiao Kong, Hui Lin, Xiaohong Zhang, Xiaoyang Du, Ling Zhou, Xinwei Chen, Lijuan Li, Silu Tao, Caijun Zheng   +8 more
core   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source