Results 181 to 190 of about 19,081 (217)

Simple Harmonic Motion Analysis of Elastic Structures Using Hamiltonian Simulation via Quantum Singular Value Transformation

open access: yesInternational Journal for Numerical Methods in Engineering, Volume 127, Issue 16, 30 August 2026.
ABSTRACT This study proposes a quantum computing algorithm for dynamic structural analysis, assuming the use of quantum computers. Specifically, we apply a quantum algorithm known as Hamiltonian Simulation (HS), which calculates the time evolution of the Schrödinger equation with time‐independent coefficients, to the equations of motion governing the ...
Koya Wagatsuma   +2 more
wiley   +1 more source

From Fragments to Function: Novel Hydrazone Derivatives as Monoamine Oxidase Inhibitors

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Twelve N‐acylhydrazone derivatives (5a–f, 6a–f) were synthesized and characterized. Compounds displayed potent submicromolar inhibition against both MAO‐A and MAO‐B. Compound 6e exhibited the strongest activity (IC50 = 0.073 μM for MAO‐A; 0.064 μM for MAO‐B). Kinetic and docking analyses confirmed reversible, competitive inhibition via FAD interaction.
Hasan Erdinç Sellitepe   +5 more
wiley   +1 more source

Topliss‐Guided Optimization of Acetanilide‐Based Soluble Epoxide Hydrolase Inhibitors: Exploring the Pentafluorosulfanyl Group as a Potency‐Enhancing Motif

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Can an amide analog retain the high potency of the classic urea motif in soluble epoxide hydrolase inhibitors? Through a single unconventional switch, the introduction of the underexplored pentafluorosulfanyl group into an amide analog of TPPU, the authors restored high inhibitory potency.
Alba López‐Ruiz   +17 more
wiley   +1 more source

Ligand‑Based Virtual Screening Discovery of Thienopyrimidinone Derivatives as Allosteric nSMase2 Modulators and Antivirals Against West Nile Virus

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Ligand‐based virtual screening of over five million compounds identifies a thienopyrimidinone hit as a novel allosteric nSMase2 modulator. Structure‐guided optimisation improves inhibitory potency and delivers derivatives with antiviral activity against West Nile virus, expanding the chemical space of nSMase2 inhibitors and supporting host‐directed ...
Hadrián Álvarez‐Fernández   +6 more
wiley   +1 more source

Quantum Plasmonic Dynamics Modeled via a Modified Langevin Noise Formalism: Numerical Studies of Single‐Photon Emission and Two‐Photon Interference

open access: yesNanophotonics, Volume 15, Issue 16, 26 August 2026.
Based on the modified Langevin noise formalism and BA‐MA theory, optimized computational formulations are demonstrated for quantum plasmonic simulations without explicit BA–MA mode construction. Plasmonic Hong‐Ou‐Mandel interference, g2, atomic population, and single‐photon probability amplitudes are efficiently analyzed, revealing directional single ...
Jisang Seo   +5 more
wiley   +1 more source

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