Results 271 to 280 of about 465,915 (347)

MS2DECIDE: Aggregating Multiannotated Tandem Mass Spectrometry Data with Decision Theory Enhances Natural Products Prioritization

open access: yesChemistry–Methods, EarlyView.
Tandem mass spectrum to decision (MS2DECIDE) leverages decision theory and expert knowledge to aggregate the outputs of three widely used annotation tools (GNPS, Sirius, and ISDB‐LOTUS) and compute a recommendation for targeting natural products with regard to their potential novelty.
Yassine Mejri   +7 more
wiley   +1 more source

Exploring Aromaticity in Expanded Porphyrins: A Multidimensional Approach to Structure–Property Relationships

open access: yesChemistry–Methods, EarlyView.
Expanded porphyrins, with their flexible structures and rich redox chemistry, offer a powerful platform to explore how aromaticity shapes molecular properties. This review introduces a multidimensional framework to quantify Hückel and Möbius aromaticity and examines its impact on the spectroscopic behavior across redox‐ and topology‐controlled expanded
Freija De Vleeschouwer   +2 more
wiley   +1 more source

Ghost effect from Boltzmann theory

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
Abstract Taking place naturally in a gas subject to a given wall temperature distribution, the “ghost effect” exhibits a rare kinetic effect beyond the prediction of classical fluid theory and Fourier law in such a classical problem in physics. As the Knudsen number ε$\varepsilon$ goes to zero, the finite variation of temperature in the bulk is ...
Raffaele Esposito   +3 more
wiley   +1 more source

Supplementing Single‐Arm Trials with External Control Arms—Evaluation of German Real‐World Data

open access: yesClinical Pharmacology &Therapeutics, EarlyView.
As single‐arm trials (SATs) are increasingly used in pharmaceutical research, the validity of such study designs needs to be critically assessed. We characterize the feasibility of supplementing SATs with real‐world data (RWD)‐derived external control arms by determining the proportion of SATs on breast cancer and amyotrophic lateral sclerosis (ALS ...
Martin Russek   +2 more
wiley   +1 more source

Superionic-like diffusion in yttrium dihydride. [PDF]

open access: yesSci Rep
Huang Y, Yu J, Cinbiz MN, Eapen J.
europepmc   +1 more source

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