scholarly journals A Delocalized Cobaltoviologen with Seven Reversibly Accessible Redox States and Highly Tunable Electrochromic Behaviour

2020 ◽  
Author(s):  
Iram F. Mansoor ◽  
Derek Wozniak ◽  
yilei wu ◽  
Mark C. Lipke
Keyword(s):  
Electronic Properties ◽  
Class Ii ◽  
Electronic Coupling ◽  
Electrochromic Properties ◽  
Redox States ◽  
Redox Active ◽  
Electronic Delocalization ◽  
Terpyridine Ligands

Cobalt(II) mediates electronic coupling between two N-methyl-pyridinium-terpyridine ligands that are related to redox-active N,N-dialkyl-4,4'-bipyridinium dications (viologens). Borderline Class II/III electronic delocalization imparts the cobaltoviologen complex with distinct electronic properties (e.g. 7 accessible redox states) relative to those of viologens, leading to enhanced electrochromic properties.

scholarly journals A Delocalized Cobaltoviologen with Seven Reversibly Accessible Redox States and Highly Tunable Electrochromic Behaviour

2020 ◽  
Author(s):  
Iram F. Mansoor ◽  
Derek Wozniak ◽  
yilei wu ◽  
Mark C. Lipke
Keyword(s):  
Electronic Properties ◽  
Class Ii ◽  
Electronic Coupling ◽  
Electrochromic Properties ◽  
Redox States ◽  
Redox Active ◽  
Electronic Delocalization ◽  
Terpyridine Ligands

Cobalt(II) mediates electronic coupling between two N-methyl-pyridinium-terpyridine ligands that are related to redox-active N,N-dialkyl-4,4'-bipyridinium dications (viologens). Borderline Class II/III electronic delocalization imparts the cobaltoviologen complex with distinct electronic properties (e.g. 7 accessible redox states) relative to those of viologens, leading to enhanced electrochromic properties.

A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour

2020 ◽  
Vol 56 (89) ◽  
pp. 13864-13867
Author(s):  
Iram F. Mansoor ◽  
Derek I. Wozniak ◽  
Yilei Wu ◽  
Mark C. Lipke
Keyword(s):  
Redox Potential ◽  
Electronic Coupling ◽  
Redox Active Ligands ◽  
Electrochromic Properties ◽  
Redox States ◽  
Redox Active

Cobalt was found to mediate strong electronic coupling between two viologen-like redox-active ligands, providing electrochromic properties that are easily tuned by the applied redox potential.

scholarly journals High-resolution cryo-EM structure of photosystem II reveals damage from high-dose electron beams

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Koji Kato ◽  
Naoyuki Miyazaki ◽  
Tasuku Hamaguchi ◽  
Yoshiki Nakajima ◽  
Fusamichi Akita ◽  
...  
Keyword(s):  
Photosystem Ii ◽  
Physiological State ◽  
High Dose ◽  
Final State ◽  
X Ray ◽  
Redox States ◽  
X Ray Crystallography ◽  
Cryo Electron Microscopy ◽  
Redox Active ◽  
Beam Damage

AbstractPhotosystem II (PSII) plays a key role in water-splitting and oxygen evolution. X-ray crystallography has revealed its atomic structure and some intermediate structures. However, these structures are in the crystalline state and its final state structure has not been solved. Here we analyzed the structure of PSII in solution at 1.95 Å resolution by single-particle cryo-electron microscopy (cryo-EM). The structure obtained is similar to the crystal structure, but a PsbY subunit was visible in the cryo-EM structure, indicating that it represents its physiological state more closely. Electron beam damage was observed at a high-dose in the regions that were easily affected by redox states, and reducing the beam dosage by reducing frames from 50 to 2 yielded a similar resolution but reduced the damage remarkably. This study will serve as a good indicator for determining damage-free cryo-EM structures of not only PSII but also all biological samples, especially redox-active metalloproteins.

scholarly journals Exploring Coupled Redox and pH Processes with a Force Field-Based Approach: Applications to Five Different Systems

2020 ◽  
Author(s):  
Vinicius Cruzeiro ◽  
Gustavo Troiano Feliciano ◽  
Adrian Roitberg
Keyword(s):  
Force Field ◽  
Redox Potential ◽  
Desulfovibrio Vulgaris ◽  
Cytochrome C3 ◽  
Computational Tools ◽  
Redox States ◽  
Computational Performance ◽  
Redox Active ◽  
Constant Ph ◽  
Experimental Findings

Coupled redox and pH-driven processes are at the core of many important biological mechanisms. As the distribution of protonation and redox states in a system is associated with the pH and redox potential of the solution, having efficient computational tools that can simulate under these conditions become very important. Such tools have the potential to provide information that complement and drive experiments. In previous publications we have presented the implementation of the constant pH and redox potential molecular dynamics (C(pH,E)MD) method in AMBER and we have shown how multidimensional replica exchange can be used to significantly enhance the convergence efficiency of our simulations. In the current work, after an improvement in our C(pH,E)MD approach that allows a given residue to be simultaneously pH- and redox-active, we have employed our methodologies to study five different systems of interest in the literature. We present results for: capped tyrosine dipeptide, two maquette systems containing one pH- and redox-active tyrosine (α3Y and peptide A), and two proteins that contain multiple heme groups (diheme cytochrome c from Rhodobacter sphaeroides and Desulfovibrio vulgaris Hildenborough cytochrome c3). We show that our results can provide new insights into previous theoretical and experimental findings by using a fully force field-based and GPUaccelerated approach, which allows the simulations to be executed with high computational performance.

Tripyrrindione as a Redox-Active Ligand: Palladium(II) Coordination in Three Redox States

2015 ◽  
Vol 54 (49) ◽  
pp. 14894-14897 ◽  
Author(s):  
Ritika Gautam ◽  
Jonathan J. Loughrey ◽  
Andrei V. Astashkin ◽  
Jason Shearer ◽  
Elisa Tomat
Keyword(s):  
Redox States ◽  
Redox Active Ligand ◽  
Active Ligand ◽  
Redox Active

A stable open-shell redox active ditopic ligand

2016 ◽  
Vol 45 (13) ◽  
pp. 5460-5463 ◽  
Author(s):  
N. M. Bonanno ◽  
A. J. Lough ◽  
K. E. Prosser ◽  
C. J. Walsby ◽  
P. K. Poddutoori ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Open Shell ◽  
Redox Active ◽  
Ditopic Ligand

Herein we describe the synthesis, structure and electronic properties of an unusual redox-active ditopic ligand with a stable open-shell configuration.

scholarly journals Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit

2012 ◽  
Vol 3 (8) ◽  
pp. 2277 ◽  
Author(s):  
Sandeep Kaur ◽  
Neil J. Findlay ◽  
Alexander L. Kanibolotsky ◽  
Saadeldin E. T. Elmasly ◽  
Peter J. Skabara ◽  
...  
Keyword(s):  
Electrochromic Properties ◽  
Redox Active

Multi-Center Redox-Active System: Amine–Amine Electronic Coupling through a Cyclometalated Bisruthenium Segment

2013 ◽  
Vol 52 (7) ◽  
pp. 4040-4045 ◽  
Author(s):  
Chang-Jiang Yao ◽  
Yu-Wu Zhong ◽  
Jiannian Yao
Keyword(s):  
Electronic Coupling ◽  
Active System ◽  
Redox Active ◽  
Amine Amine
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