Results 121 to 130 of about 1,035,532 (286)

Computing the aqueous solubility of organic drug-like molecules and understanding hydrophobicity

, 2015
This thesis covers a range of methodologies to provide an account of the current (2010-2014) state of the art and to develop new methods for solubility prediction.
Mcdonagh, James, McDonagh, James L.
core  

Large Transverse Thermoelectric Effect in Weyl Semimetal TaIrTe4 Engineered for Photodetection

Advanced Functional Materials, EarlyView.
This experimental work shows that the anomalous scanning photocurrent response patterns of the Weyl semimetal TaIrTe4${\rm TaIrTe}_4$ under visible and long‐wave infrared illumination are due to a large transverse thermoelectric response of the material.
Morgan G. Blevins, Xianglin Ji, Vivian J. Santamaria‐Garcia, Abhishek Mukherjee, Thanh Nguyen, Mingda Li, Svetlana V. Boriskina   +6 more
wiley   +1 more source

Swelling‐Induced Stress‐Assisted Transfer of Nanodiamond Arrays With a PVA Carrier Tape for Conformal Bio‐Integrated Sensing and Labelling

Advanced Functional Materials, EarlyView.
This work introduces a swelling‐induced, stress‐assisted water‐soluble PVA tape strategy to transfer‐print nanodiamond quantum‐sensor arrays onto soft, curved biological interfaces. The room‐temperature, water‐triggered process achieves >98% fidelity and residue‐free integration, enabling conformal quantum sensing on contact lenses, neural probes, and ...
Luyao Zhang, Lingzhi Wang, Xinhao Hu, Tai Nam Yip, Mingze Sun, Jixiang Jing, Lizhi Xu, Yuan Lin, Yong Hou, Zhiqin Chu   +9 more
wiley   +1 more source

Quantum Chemical Modelling for Predicting Mutagenicity

, 2021
Mutagenicity of various compounds is traditionally predicted by conventional in vivo and in vitro methods. However, transitioning to in silico methods would be beneficial both ethically and environmentally. The descriptors that can be used to predict mutagenicity are the lowest unoccupied molecular orbital (LUMO) energy, activation energy, the local ...
openaire   +1 more source

Análise de equilíbrio, cinética química da ignição térmica e propagação de chama plana laminar de misturas de hidrocarbonetos leves com ar [PDF]

, 2004
Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro Tecnológico. Programa de Pós-Graduação em Engenharia MecânicaEste trabalho analisa aspetos da cinética e do equilíbrio químico da combustão de hidrocarbonetos alifáticos saturados e ...
Cancino, Leonel Rincón
core  

Polarity‐Reversible Photoresponse–Driven Autonomous Wavelength Discrimination in Quantum Dot–Tellurium Thin‐Film Photodetectors via Engineered Energy‐Band Alignment

Advanced Functional Materials, EarlyView.
A quantum dot–tellurium thin‐film photodetector autonomously discriminates visible and infrared wavelengths through polarity‐reversible photoresponses. Engineered carrier separation and gain modulation enable filter‐free multispectral sensing within a single‐device architecture.
Yong Min Lee, Jungho Kim, Hyung Jin Choi, Woosik Kim, Byung Ku Jung, Young Kyun Choi, Taesung Park, Soong Ju Oh   +7 more
wiley   +1 more source

A Paramedic Treatment for Modeling Explicitly Solvated Chemical Reaction Mechanisms

, 2018
We report a static quantum chemistry modeling treatment to study how solvent molecules affect chemical reaction mechanisms without dynamics simulations.
Yasemin, Basdogan, John, Keith
core   +1 more source

3D Printing Innovations in Polymeric Porous and Patterned Architecture

Advanced Functional Materials, EarlyView.
Polymeric foams occupy a unique structural space between dense solids and open networks, where engineered void fraction governs mechanical compliance, thermal resistance, and mass transport. Additive manufacturing now enables precise spatial control over cellular architecture, unlocking designer foam structures across applications spanning crash ...
Dhanush Patil, Sri Vaishnavi Thummalapalli, Clarissa Westover, Arunachalam Ramanathan, M. Taylor Sobzcak, Roumika Patil, Qixuan Xiang, Tiantian Li, Sui Yang, Timothy E. Long, Hongyue Sun, Xianqiao Wang, Yang Liu, Kenan Song   +13 more
wiley   +1 more source

Investigation of the process of stabilization of cobalt (II, III) oxide nanoparticles with alkyldimethylbenzylammonium chloride

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
In this work, samples of cobalt (II, III) oxide nanoparticles stabilized with alkyldimethylbenzylammonium chloride were obtained by chemical precipitation in an aqueous medium.
D.D. Filippov, A.A. Nagdalyan, A.V. Blinov, Z.A. Rekhman, A.B. Golik, M.A. Pirogov, D.B. Golik   +6 more
doaj   +1 more source

Quantifying Subsurface Weak in‐Plane Magnetization of Mixed Phase BiFeO3 by Scanning Nitrogen Vacancy Magnetometry

Advanced Functional Materials, EarlyView.
We use scanning nitrogen vacancy magnetometry to directly image the weak in‐plane magnetic moments in mixed phase BiFeO3 at the nanoscale and quantify the local magnetic moments to be 18.8±2.0 μB/nm2 in the rhombohedral‐like phase and 1.5±0.6 μB/nm2 in the well‐known non‐magnetic tetragonal‐like phase.
Lei Wang, Zhewen Xu, Yuwen Xu, Björn Josteinsson, Simon Josephy, Dawei Zhang, Yunlong Sun, Heung‐Sik Park, Jihun Kim, Kanghyun Chu, Kyung Song, Danyang Wang, Chan‐Ho Yang, Andrea Morales, Jan Seidel   +14 more
wiley   +1 more source