Results 81 to 90 of about 26,406 (246)

Selective Sequestration of Toxic NOx Gases by P‐Doped Graphene: A Density Functional Theory Study

Advanced Physics Research, EarlyView.
P‐doped graphene (P‐grap) is explored as an NOx sensor through DFT simulations. The analysis of its geometry, binding energies, electronic properties, and atom‐in‐molecule characteristics demonstrates that P‐grap is a selective sensor for NOx among a mixture of various gases.
Anwar Ali, Adnan Ali Khan, Iqtidar Ahmad, Yu‐Jia Zeng   +3 more
wiley   +1 more source

New constructions of nonregular cospectral graphs

Special Matrices
We consider two types of joins of graphs G1{G}_{1} and G2{G}_{2}, G1⊻G2{G}_{1}\hspace{0.33em}⊻\hspace{0.33em}{G}_{2} – the neighbors splitting join and G1∨=G2{G}_{1}\mathop{\vee }\limits_{=}{G}_{2} – the nonneighbors splitting join, and compute ...
Hamud Suleiman, Berman Abraham
doaj   +1 more source

Model‐informed drug development to support nemolizumab clinical development in adults and adolescents with moderate to severe atopic dermatitis

British Journal of Clinical Pharmacology, EarlyView.
Abstract Aims Population pharmacokinetic (popPK) and pharmacokinetic‐pharmacodynamic (PK/PD) models were developed to support clinical development of nemolizumab, a humanized monoclonal antibody targeting the IL‐31 receptor α, in adolescents and adults with moderate‐to‐severe atopic dermatitis (AD).
Floris Fauchet, Anna Largajolli, Petra M. Jauslin, Emilie Schindler, Mourad Hamimed, Wannee Kantasiripitak, Antonio Gonçalves, Eline Van Maanen, Khaled Benkali, Tomohisa Saito, Jonathan I. Silverberg, Andreas Wollenberg, Michael Graeber, Liliana Ulianov, Christophe Piketty, Luca Loprete, Vincent Duval, Nathalie Wagner   +17 more
wiley   +1 more source

Pharmacokinetics and pharmacodynamics of intravenous and oral (S)‐ketamine: Investigating metabolite contribution to subjective effects

British Journal of Clinical Pharmacology, EarlyView.
Aims Oral administration of (S)‐ketamine for treatment‐resistant depression (TRD), as alternative to the registered intranasal or off‐label intravenous administrations, has high potential. However, it is characterized by an extensive first‐pass metabolism, resulting in low (S)‐ketamine exposure and high levels of active metabolites, including (S ...
Marije E. Otto, Gabriël E. Jacobs, Joost C. van Mechelen, Laura G. J. M. Borghans, Johan G. C. van Hasselt, Linda B. S. Aulin   +5 more
wiley   +1 more source

The Laplacian spectrum of weighted composite networks and the applications

AIP Advances
The topological properties of the networks can be described by the Laplacian spectra, but resolving the Laplacian spectra of networks poses difficulties. In this study, a novel approach for solving the Laplacian spectrum of weighted composite networks is
Jian Zhu, Da Huang, Haiping Gao, Xianyong Li   +3 more
doaj   +1 more source

Establishing Indium in Frustrated Lewis Pair Chemistry: From Synthesis to Catalytic Applications

ChemistryEurope, EarlyView.
Not that hard: The effects of chemical hardness of the soft FLP tBu2InCH2PtBu2 and its pyridine‐adduct tBu2In(py)CH2PtBu2 were examined in adduct formation reactions toward H2, CO2, and CS2. The frustrated Lewis pair shows catalytic activity in the reduction of CO2 with pinacolborane.
Daniel N. Heuer, Jan‐Hendrik Lamm, Hans‐Georg Stammler, Beate Neumann, Andreas Mix, Yury V. Vishnevskiy, Norbert W. Mitzel   +6 more
wiley   +1 more source

Bis‐Dichlorosilyl Functionalized C4‐Cumulene With Unique Bonding Scenario

Chemistry – A European Journal, EarlyView.
Herein, we report a silylene‐functionalized C4‐cumulene (2) and investigate its bonding scenario employing computational methods such as NBO analysis, AIM, and energy decomposition analysis‐natural orbital for chemical valence (EDA‐NOCV). The EDA‐NOCV analysis showed that compound 2 prefers to possess electron‐sharing covalent sigma and dative covalent
Saroj Kumar Kushvaha, Harsha S. Karnamkkott, Sangita Mondal, Paula A. M. Stark, Selvakumar Arumugam, Prakash Chandra Joshi, Sai Manoj N. V. T. Gorantla, Regine Herbst‐Irmer, Kartik Chandra Mondal, Dietmar Stalke, Herbert W. Roesky   +10 more
wiley   +1 more source

Unlocking Heterobimetallic Architectures in a Symmetric PNNP Ligand Environment

Chemistry – A European Journal, EarlyView.
A symmetric PNNP ligand enables the modular assembly of heterobimetallic ZnRu and CoRu complexes from a mononuclear Ru(II) precursor. Ligand deprotonation triggers dearomatization and contraction of the metal–metal distance. Combined DFT and QTAIM analyses reveal metallophilic interaction in CoRu but not in ZnRu, highlighting controllable geometric and
Stanislav Melnikov, Menne W. P. Verkooijen, Jop Verduin, Martin Lutz, Daniël L. J. Broere   +4 more
wiley   +1 more source

What is a proper graph Laplacian? An operator-theoretic framework for graph diffusion

Special Matrices
We introduce an operator-theoretic definition of a proper graph Laplacian as any matrix associated with a given graph that can be expressed as the composition of a divergence and a gradient operator, with the gradient acting between graph-related spaces ...
Estrada Ernesto
doaj   +1 more source

Oscillatory Property of Solutions for p(t)-Laplacian Equations

Journal of Inequalities and Applications, 2007
We consider the oscillatory property of the following p(t)-Laplacian equations −(|u'|p(t)−2u')'=1/tθ(t)g(t,u), t>0. Since there is no Picone-type identity for p(t)- Laplacian equations, it is an unsolved problem that whether the Sturmian ...
Qihu Zhang
doaj   +1 more source