Results 161 to 170 of about 1,881,406 (299)

Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra. [PDF]

J Am Chem Soc, 2023
Kotobi A, Singh K, Höche D, Bari S, Meißner RH, Bande A.   +5 more
europepmc   +1 more source

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source

Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods. [PDF]

J Chem Theory Comput
Carrasco-Busturia D, Linares M, Norman P, Haugaard Olsen JM.   +3 more
europepmc   +1 more source

Note on Pathological Absorption Spectra [PDF]

Journal of the Royal Society of Medicine, 1876
openaire   +2 more sources

Conformational Switching of Proteins on Material Surfaces Enabled by Peptide‐Oriented Adsorption

Advanced Functional Materials, EarlyView.
Responsive biointerfaces could be achieved using conformationally responsive proteins; however, their interconversion can be lost upon surface adsorption. Herein, we demonstrate that the incorporation a Au binding peptide into calmodulin allows for binding control on Au wherein the protein retains conformational switching. This capability was confirmed
Sakthirupini Ramamurthy, Kyle B. Meerbott, Lorenzo Travaglini, Garima S. Dobhal, Artur Sawicki, Marc R. Knecht, Tiffany R. Walsh, Dominic J. Glover   +7 more
wiley   +1 more source

THz absorption spectra of glucose and its polymers

EPJ Web of Conferences, 2018
Semenova Anna, Guseva Yu.S., Vaks V.L., Panin A.N., Babarina D.A., Morunova S.S., Vilkov A.S.   +6 more
doaj   +1 more source

Multivariate Analysis of Linear and Nonlinear Optical Properties in Purine Derivatives: A Predictive Framework from One-Photon Absorption Spectra. [PDF]

J Phys Chem A
Andrade IR, Zucolotto Cocca LH.
europepmc   +1 more source

Modeling the Electronic Absorption Spectra of the Indocarbocyanine Cy3. [PDF]

Molecules, 2022
Sorour MI, Marcus AH, Matsika S.
europepmc   +1 more source

Disentangling Bulk and Surface Contributions to Charge and Discharge Fading in High‐Voltage LiCoO2

Advanced Functional Materials, EarlyView.
High‐voltage operation of LiCoO2 accelerates capacity fading through bulk and surface degradation. By introducing a LiTaO3 coating to selectively suppress surface degradation, bulk and surface contributions to charge and discharge fading are decoupled.
Hyungjoon Moon, Sangbin Park, Jaewoo Jung, Seongeun Lee, Chanwoo Jung, Min‐Sik Park, Won‐Sub Yoon   +6 more
wiley   +1 more source

On the Origin of the Red-Shifted Flavin Absorption Spectra in Fatty Acid Photodecarboxylase. [PDF]

J Phys Chem B
Farina M, Dell'Orletta G, Bodo E, Daidone I.   +3 more
europepmc   +1 more source