Results 61 to 70 of about 91,814 (336)

Polarization effects in the channel of an organic field-effect transistor

, 2005
We present the results of our calculation of the effects of dynamical coupling of a charge-carrier to the electronic polarization and the field-induced lattice displacements at the gate-interface of an organic field-effect transistor (OFET). We find that
Bussac, M. N., Houili, H., Picon, J. D., Zuppiroli, L.   +3 more
core   +1 more source

The effect of driving force on intramolecular electron transfer in proteins [PDF]

European Journal of Biochemistry, 1992
An intramolecular electron‐transfer process has previously been shown to take place between the Cys3‐Cys26 radical‐ion (RSSR−) produced pulse radiolytically and the Cu(II) ion in the blue single‐copper protein, azurin [Farver, O. & Pecht, I. (1989) Proc. Natl Acad. Sci. USA 86, 6868–6972].
Farver, O., Skov, L.K., Kamp, M. van de, Canters, G.W., Pecht, I.   +4 more
openaire   +3 more sources

Imaging of Lipid Droplets in Living Cells and Mice with Metabolic Dysfunction‐Associated Steatotic Liver Disease via a Galactose‐Modified Supramolecular Near‐Infrared Fluorescent Glycoprobe

Advanced Functional Materials, EarlyView.
A galactose‐modified supramolecular near‐infrared (NIR) glycoprobe, TCF‐FBN@Gal‐BSA, enables targeted delivery to the liver through the asialoglycoprotein receptor (ASGPR) and facilitates liver‐targeting fluorescence visualization of lipid droplets (LDs) in metabolic dysfunction‐associated steatotic liver disease (MASLD) mice.
Han‐Min Wang, Lei Dong, Qiu‐Lian Hao, Lu‐Lu Sun, Xin‐Rong Li, Yu‐Wei Yuan, Ming‐Ye Tang, Jin Gong, Yi Zang, Jia Li, Tony D. James, Xiao‐Peng He, Hai‐Hao Han   +12 more
wiley   +1 more source

Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field method OPLS ...
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Synchrotron Radiation for Quantum Technology

Advanced Functional Materials, EarlyView.
Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader, Sakura Pascarelli, Klaus Attenkofer, Anna A. Makarova, Karsten Holldack, Kai Rossnagel, Kristiaan Temst, George Kourousias, Stefano Carretta, Caterina Biscari, Helmut Dosch   +10 more
wiley   +1 more source

Cyano-Substituted Oligo(p-phenylene vinylene) Derivatives with Aggregation-Induced Enhanced Emissions and Mechanofluorochromic Luminescence

Molecules
Developing red fluorescence emitters with simple structures via convenient synthetic routes is highly desirable yet challenging. Herein, two novel donor–acceptor-type red emitters, DCFOPV-TPA and SCFOPV-TPA, featuring the intramolecular charge transfer ...
Xinju Zhu, Yaru Pan, Xinran Zhao, Yu Yuan, Zewen Zhai, Xiaoni Yu, Wenjing Zhang, Yuanyuan Chang, Bing Song, Linlin Shi, Xinqi Hao   +10 more
doaj   +1 more source

Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ2P:P′]-μ-chlorido-chlorido-1κCl-(1-phenylthiourea-2κS)disilver acetonitrile hemisolvate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the dinuclear title complex, [Ag2Cl2(C7H8N2S)(C25H22P2)2]·0.5CH3CN, each AgI ion displays a distorted tetrahedral coordination geometry with two P atoms from two bis(diphenylphosphanyl)methane (dppm) ligands, one bridging chloride ion, one terminal ...
Arunpatcha Nimthong-Roldán, Janejira Ratthiwal, Yupa Wattanakanjana   +2 more
doaj   +1 more source

Efek Intermolecular Forces: Perubahan Physical Properties pada Campuran Premium dan Bio-Additive Orange Peel

Rekayasa Mesin, 2021
The addition of bio-additive in gasoline was needed in order to improve the anti-knock quality. The bio-additive used was orange peel in the form of essential oil.
Musyaroh Musyaroh, Widya Wijayanti, Mega Nur Sasongko, Ahmad Difal Rizaldy   +3 more
doaj   +1 more source

A perturbation density functional theory for the competition between inter and intramolecular association [PDF]

, 2012
Using the framework of Wertheim's thermodynamic perturbation theory we develop the first density functional theory which accounts for intramolecular association in chain molecules.
Alejandro J. García-Cuéllar, Bennett D. Marshall, Pace C. N., Walter G. Chapman   +3 more
core   +2 more sources

Ladder‐Type Benzene‐Perylene Dyes with Efficient Laser Properties in the Near‐IR by Detracting/Activating Low/High Frequency Vibronic Modes

Advanced Functional Materials, EarlyView.
The NNR‐n series of oligomeric nanographenes delivers exceptional emission performance. This work shows that this performance is originated by their ladder‐type structure, which effectively deactivates low‐frequency vibronic modes. This deactivation neglects the main pathway for non‐emissive deactivation, even in the near‐infrared region. The potential
Marcos Díaz‐Fernández, Álex Farrando Pérez, Fernando Gordillo Gámez, Pedro G. Boj, José M. Villalvilla, José A. Quintana, Yanpei Wan, Daniel Aranda, José Manuel Marín‐Beloqui, Jishan Wu, Zebing Zeng, María A. Díaz‐García, Juan Casado   +12 more
wiley   +1 more source