Results 51 to 60 of about 804,715 (287)

Nanosensor for Sensitive Detection of the New Psychedelic Drug 25I-NBOMe [PDF]

, 2020
This is the peer reviewed version of the following article: E. Garrido, M. Alfonso, B. Díaz de Greñu, B. Lozano-Torres, M. Parra, P. Gaviña, M. D. Marcos, R. Martínez-Máñez, F. Sancenón, Chem. Eur. J.
Alfonso-Navarro, María, Díaz de Greñu-Puertas, Borja, Garrido-García, Eva María, Gaviña, Pablo, Lozano-Torres, Beatriz, Marcos Martínez, María Dolores, Martínez-Máñez, Ramón, Parra Álvarez, Margarita, Sancenón Galarza, Félix   +8 more
core   +1 more source

Perspective: Essentials of Relativistic Quantum Chemistry [PDF]

The Journal of Chemical Physics 2020, 2020
Relativistic quantum chemistry has evolved into a fertile and large field and is now becoming an integrated part of mainstream chemistry. Yet, given the much-involved physics and mathematics (as compared with nonrelativistic quantum chemistry), it is still necessary to clean up the essentials underlying the relativistic electronic structure theories ...
arxiv   +1 more source

Analysis of some heterogeneous catalysis models with fast sorption and fast surface chemistry [PDF]

, 2020
We investigate limit models resulting from a dimensional analysis of quite general heterogeneous catalysis models with fast sorption (i.e.\ exchange of mass between the bulk phase and the catalytic surface of a reactor) and fast surface chemistry for a prototypical chemical reactor.
arxiv   +1 more source

Optical chemosensors and reagents to detect explosives [PDF]

, 2012
[EN] This critical review is focused on examples reported from 1947 to 2010 related to the design of chromo-fluorogenic chemosensors and reagents for explosives (141 references).
Agrawal, Albert, Almog, Amara, Amas, Amas, Amas, Ana M. Costero, Andrew, Andrew, Bunte, Caron, Cartmill, Cavaye, Chang, Chem, Chen, Chen, Content, Cumming, Dasary, Dong, Dorozhkin, Eiceman, English, Eren, Fang, Feng, Focsaneanu, Forzani, Furton, Félix Sancenón, Gao, Geng, Germain, Germain, Germain, Germain, Ghosh, Ghosh, Glazier, Goodpaster, Hakansson, Hallowell, He, Hikal, Hou, Hughes, Janowski, Jian, Jiang, Kang, Kim, Kin, Krausa, Kumar, Kumar Bar, Lee, Levitsky, Li, Li, Li, Liao, Lin, Lin, Liu, Liu, Long, Lu, Lua, Malashikhin, Margarita Parra, Martínez-Máñez, Martínez-Máñez, Martínez-Máñez, María D. Marcos, Mathurin, McHugh, McQuade, McQuade, Meaney, Mohr, Moore, Moragues, Naddo, Narayanan, Nguyen, Nie, Nie, Nielsen, Nolan, Ohshita, Olley, Olley, Pallavicini, Ponnu, Ponnu, Pramanik, Qin, Qu, Que, Rahman, Ramón Martínez-Máñez, Rose, Salvador Gil, Sanchez, Sanchez, Sanchez, Sanchez, Saxena, Saxena, Schulte-Ladbeck, Schulte-Ladbeck, Sella, Sohn, Sohn, Sohn, Sohn, Steinfeld, Stringer, Su Park, Sylvia, Tamao, Tao, Tao, Tao, Tao, Tao, Thomas III, Toal, Toal, Toal, Toy, Vajpayee, Vijayakumar, Vourvopoulos, Wallis, Walsh, Wang, Wang, Wang, Xu, Xu, Yamaguchi, Yang, Yang, Yang, Yildirim, Yinon, Yolanda Salinas, Zahn, Zhang, Zhang, Zhang, Zhao, Zhou, Zyryanov   +156 more
core   +1 more source

Derivatives of spin dynamics simulations [PDF]

, 2009
We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate and more reliable than the finite difference approximations typically employed.
arxiv   +1 more source

A model for the dynamics and internal structure of planar doping fronts in organic semiconductors [PDF]

The Journal of Physical Chemistry C, 115(44): 21915-21926 (2011), 2011
The dynamics and internal structure of doping fronts in organic semiconductors are investigated theoretically using an extended drift-diffusion model for ions, electrons and holes. The model also involves the injection barriers for electrons and holes in the partially doped regions in the form of the Nernst equation, together with a strong dependence ...
arxiv   +1 more source

TOMM20 as a driver of cancer aggressiveness via oxidative phosphorylation, maintenance of a reduced state, and resistance to apoptosis

Molecular Oncology, EarlyView.
TOMM20 increases cancer aggressiveness by maintaining a reduced state with increased NADH and NADPH levels, oxidative phosphorylation (OXPHOS), and apoptosis resistance while reducing reactive oxygen species (ROS) levels. Conversely, CRISPR‐Cas9 knockdown of TOMM20 alters these cancer‐aggressive traits.
Ranakul Islam, Megan E. Roche, Zhao Lin, Diana Whitaker‐Menezes, Victor Diaz‐Barros, Eurico Serrano, Maria Paula Martinez Cantarin, Nancy J. Philp, Atrayee Basu Mallick, Ubaldo Martinez‐Outschoorn   +9 more
wiley   +1 more source

Maximum Impact of Ionic Strength on Acid‐Catalyzed Reaction Rates Induced by a Zeolite Microporous Environment

Angewandte Chemie International Edition, Volume 62, Issue 3, January 16, 2023., 2023
The confined hydronium ions in zeolite create an intraporous ionic environment, which increases acid‐catalyzed reaction rates in a volcanic pattern at both saturated and low concentrations of substrates in the pores. Abstract The intracrystalline ionic environment in microporous zeolite can remarkably modify the excess chemical potential of adsorbed ...
Qiang Liu, Niklas Pfriem, Guanhua Cheng, Eszter Baráth, Yue Liu, Johannes A. Lercher   +5 more
wiley   +1 more source

Analytic second-order energy derivatives in natural orbital functional theory [PDF]

Journal of Mathematical Chemistry (2018), 2018
The analytic energy gradients in the atomic orbital representation have recently been published (J. Chem. Phys. 146, 014102, 2017) within the framework of the natural orbital functional theory (NOFT). We provide here an alternative expression for them in terms of natural orbitals, and use it to derive the analytic second-order energy derivatives with ...
arxiv   +1 more source

Effects of simultaneous multislice acceleration on the stability of radiomics features in parametric maps of IVIM and DKI in uterine cervical cancer

Journal of Applied Clinical Medical Physics, EarlyView.
Abstract Purpose The aim of this study was to investigate the influence of the simultaneous multislice acceleration (SMS) technique as well as two‐dimensional (2D) and three‐dimensional (3D) tumor segmentations on radiomics features (RFs) within the parametric maps of cervical cancer, which were computed by intravoxel incoherent motion (IVIM) and ...
Shuangquan Ai, Wei Peng, Rong Hou, Huiting Zhang, Robert Grimm, Zilong Yuan, Yulin Liu   +6 more
wiley   +1 more source