Results 111 to 120 of about 2,100,774 (208)

Sulfonamide‐Based 2‐Amino‐1,3,4‐Oxadiazole Derivatives as Dual Cholinesterase and Carbonic Anhydrase Inhibitors: Design, Synthesis, Kinetic Characterization, Molecular Modeling, and ADMET Evaluation

Drug Development Research, Volume 87, Issue 6, September 2026.
ABSTRACT In this study, 12 novel sulfonamide derivatives incorporating 2‐amino‐1,3,4‐oxadiazole and 1,3‐benzazol‐2(3H)‐one scaffolds were synthesized and structurally characterized using 1H NMR, 13C NMR, and LC–MS analyses. Their inhibitory activities were evaluated against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), carbonic anhydrase I
Gülnur Arslan Karahan, Başak Gökçe, Muhammed Tilahun Muhammed, Emre Kadir Ayan, Azime Berna Özçelik   +4 more
wiley   +1 more source

Analytical Soliton Solutions Modeling of Nonlinear Schrödinger Equation with the Dual Power Law Nonlinearity

پژوهش‌های ریاضی, 2018
Introduction In this study, we use a newly proposed method based on the software structure of the maple, called the Khaters method, and will be introducing exponential, hyperbolic, and trigonometric solutions for one of the Schrödinger equations, called ...
Ahmad Neirameh, Saeed Shokooh
doaj  

Computationally Driven Advances in Cu‐CNT On‐Chip Interconnect Materials: From First Principles to Machine Learning

ENERGY &ENVIRONMENTAL MATERIALS, Volume 9, Issue 5, September 2026.
A multiscale framework integrating electronic, mechanical, and thermal analysis with machine learning to optimize carbon nanotube interconnects. As the component dimensions in integrated circuits shrink to extreme scales, the complexity of interconnect systems is increasing significantly, necessitating an urgent and comprehensive upgrade of ...
Changhong Zhang, Jie Liang, Yi Li, Zhenyu Wang, Haoyuan Li, Zhen Yuan, Jiuren Zhou, Rongmei Chen, Wensheng Zhao, Lei Zhang, Hanshen Xin, Jianhua Zhang   +11 more
wiley   +1 more source

Solitons of the constrained Schrödinger equations

Journal of Physics Communications
We consider the linear vector Schrödinger equation subjected to quadratic constraints. We demonstrate that the resulting nonlinear system is closely related to the Ablowitz-Ladik hierarchy and use this fact to derive the N -soliton solutions for the ...
V E Vekslerchik
doaj   +1 more source

Synthesis, Anticancer Evaluation, mRNA Expression Analysis, and Molecular Docking of Fluorinated Picolinamide–Benzothiazole Derivatives Against Breast Cancer‐Related Genes CDK2, ERK2, and BCL2

Journal of Biochemical and Molecular Toxicology, Volume 40, Issue 9, September 2026.
The graphical abstract summarizes the synthesis of novel benzothiazole‐linked derivatives and their biological evaluation. The compounds exhibited significant antioxidant activity, notable cytotoxic effects against MDA‐MB‐231 cells, apoptosis induction with G2/M arrest, gene regulation, and favorable molecular docking interactions, supporting their ...
Nagalakshmamma Vadabingi, Venkataswamy Mallepogu, Surendra Pothuraju, Chiranjeevi Pasala, Sumithra Poreddy, Uma Maheswari Amineni, Suresh Reddy Cirandur, Balaji Meriga   +7 more
wiley   +1 more source

A modified Jacobi elliptic functions method for optical soliton solutions of a conformable nonlinear Schrödinger equation

Қарағанды университетінің хабаршысы. Математика сериясы
In this paper, we study precise and exact traveling wave solutions of the conformable differential nonlinear Schrödinger equation. Then, we transform the given equation into an integer order differential equation by utilizing the wave transformation and
A. Boussaha, B. Semmar, M. Al-Smadi, S. Al-Omari, N. Djeddi   +4 more
doaj   +1 more source

AI‐Accelerated Design and Modeling of Organic Electrochemical Energy Materials: From Redox‐Active Molecules to Polymer Electrolytes

Macromolecular Materials and Engineering, Volume 311, Issue 9, September 2026.
AI is reshaping the design and modeling of organic electrochemical energy materials, from redox‐active molecules to polymer electrolytes. Progress across data‐driven prediction, machine‐learning interatomic potentials, generative models, and agentic workflows is assessed, while persistent challenges in data quality, polymer representation, validation ...
Zhan‐Yun Zhang, Giannis Savvas, Jichen Li, Yue Zhou, Thanh Trung Le, Daniel Brandell, Rocío Mercado, Chao Zhang   +7 more
wiley   +1 more source

Fine‐tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm

Journal of Synchrotron Radiation, Volume 33, Issue 5, Page 1455-1466, September 2026.
A Bayesian optimization technique is used to tune the FEFF and FDMNES packages and to improve matching between theoretical and experimental spectra. The tests were performed on monometallic Ni, Fe and Pd K‐edge XANES spectra using several different spectrum similarity metrics.Theoretical modeling of X‐ray absorption near‐edge structure (XANES) spectra ...
Andrey A. Sapronov, Dmitry E. Doronkin, Jan-Dierk Grunwaldt   +2 more
wiley   +1 more source

Diverse DTPA‐chelated lanthanides with relevance for nuclear medicine bound to an engineered lipocalin reveal conserved ligand geometry

Acta Crystallographica Section F, Volume 82, Issue 9, Page 301-311, September 2026.
Structural and binding studies of the engineered lipocalin CL31d towards the chelate complexes of 11 different lanthanide and main‐group metal(III) ions, whose radioisotopes are useful for nuclear medicine, with a functionalized DTPA revealed a surprisingly broad tolerance towards varying ionic radii, thus enabling flexible radionuclide‐targeting ...
Alina Mirwald, Andreas Eichinger, Arne Skerra   +2 more
wiley   +1 more source

Solutions Of A Nonlinear Schrödinger Equation

, 2015
This paper deals with existence and multiplicity of solutions to the nonlinear Schrödinger equation of the type -Δu + (λa(x) + a 0(x))u = f(x, u), u ∈ H 1(ℝ N). We improve some previous results in two respects: we do not require a 0 to be positive on one
Ding Y.H., DeFigueiredo D.G.
core