Results 121 to 130 of about 1,445,170 (202)

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin. [PDF]

Molecules, 2019
Domingo LR, Ríos-Gutiérrez M, Acharjee N.   +2 more
europepmc   +1 more source

Narrowband Detection via Charge Collection Narrowing Organic Photodetector Enabled by Low Bandgap Random Terpolymer for Biometric Sensing

Advanced Functional Materials, EarlyView.
A novel low‐bandgap random terpolymer is designed for narrow band detection in charge collection narrowing (CCN) based organic photodetectors. With a relative thin active layer (<1 µm), the CCN‐based devices achieved a narrowband response of 68 nm full‐width‐at‐half‐maximum at 916 nm, together with Responsivity values of 0.13 A W−1 and dark current of ...
Matilde Brunetta, Zhuoran Qiao, Adibah Zamhuri, Francesco Furlan, Martina Rimmele, Peter A. Gilhooly‐Finn, Lewis M. Cowen, Filip Aniés, Patipan Sukpoonprom, Stanley Cazaly, Julianna Panidi, Flurin Eisner, Martin Heeney, Bob C. Schroeder, Nicola Gasparini   +14 more
wiley   +1 more source

The Puzzle of the Regioselectivity and Molecular Mechanism of the (3+2) Cycloaddition Reaction Between E-2-(Trimethylsilyl)-1-Nitroethene and Arylonitrile N-Oxides: Molecular Electron Density Theory (MEDT) Quantumchemical Study. [PDF]

Molecules
Sadowski M, Dresler E, Jasiński R.
europepmc   +1 more source

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry. [PDF]

Molecules, 2016
Domingo LR.
europepmc   +1 more source

Biofilm Control by Active Topography with Mucin Coating

Advanced Functional Materials, EarlyView.
This study reports a new antifouling strategy based on a bioinspired design. Mucin coating enhances biofilm control by active topography with beating micron‐sized pillars. Besides the mechanical force of beating pillars, the antibiofilm activities also involve biological factors since mucin coating inhibits swarming motility and c‐di‐GMP synthesis in ...
Zehui Han, Yikang Xu, Huan Gu, Teng Zhang, Dacheng Ren   +4 more
wiley   +1 more source

A New Insight into the Molecular Mechanism of the Reaction between 2-Methoxyfuran and Ethyl (Z)-3-phenyl-2-nitroprop-2-enoate: An Molecular Electron Density Theory (MEDT) Computational Study. [PDF]

Molecules
Sadowski M, Dresler E, Wróblewska A, Jasiński R.   +3 more
europepmc   +1 more source

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol. [PDF]

Molecules, 2016
Frau J, Muñoz F, Glossman-Mitnik D.
europepmc   +1 more source

Heat Conduction Modulation in Incommensurate Twisted Stacking of Transition‐Metal Dichalcogenide

Advanced Functional Materials, EarlyView.
The interlayer thermal conductance in twisted bilayer TMDs is initially investigated experimentally by the thermoreflectance method. The overlap of lattice vibrations within individual layers and the interlayer interactions, as elucidated through both Raman spectroscopy and molecular dynamics simulations, are demonstrated to be critical factors in ...
Bin Xu, Meng An, Satoru Masubuchi, Yuanzhe Li, Rulei Guo, Tomoki Machida, Junichiro Shiomi   +6 more
wiley   +1 more source

A Molecular Electron Density Theory Study of the Reactivity of Azomethine Imine in [3+2] Cycloaddition Reactions. [PDF]

Molecules, 2017
Domingo LR, Ríos-Gutiérrez M.
europepmc   +1 more source

Scaling‐Up of Structural Superlubricity: Challenges and Opportunities

Advanced Functional Materials, EarlyView.
At increasing length‐scales, structural superlubricity (SSL) faces challenges from physical and chemical energy dissipation pathways. This study reviews recent experimental and theoretical progress on these challenges facing the scaling‐up of SSL, as well as perspectives on future directions for realizing and manipulating macroscale superlubricity ...
Penghua Ying, Xiang Gao, Diana Berman, Oded Hod, Michael Urbakh   +4 more
wiley   +1 more source