Results 121 to 130 of about 49,222 (248)

Photocatalytic Cross‐Coupling of Phenols and Heteroaryl Halides With Machine Learning‐Guided Reaction Prediction

Angewandte Chemie, Volume 138, Issue 16, 13 April 2026.
Photocatalytic cross‐coupling: A redox‐neutral photochemical method enables direct C(sp2)─C(sp2) bond formation between phenols and heteroaryl halides using an organic dye and base. Complementary radical generation allows efficient cross‐coupling in up to 91% yield. Mechanistic studies, DFT, HTE, and machine learning rationalize and predict reactivity,
Matthew C. Carson, Alice Wu, Kalyana B. Duggal, Madeline E. Rotella, Marisa C. Kozlowski   +4 more
wiley   +2 more sources

A large scale prediction of bacteriocin gene blocks suggests a wide functional spectrum for bacteriocins

, 2015
Bacteriocins are peptide-derived molecules produced by bacteria, whose recently-discovered functions include virulence factors and signalling molecules as well as their better known roles as antibiotics.
Freed, Stefan D, Friedberg, Iddo, Lee, Shaun W, Morton, James T   +3 more
core   +1 more source

Hydrochlorides, hydrates, hydronitrate, and an unanticipated hydrolysis product of famotidine

Acta Crystallographica Section C, Volume 82, Issue 5, Page 241-249, May 2026.
The structures of a new polymorph of famotidine hydrochloride, a famotidine hydrochloride hydrate, a new hydronitrate salt of famotidine, and an unexpected hydrolyzed complex of famotidine are reported. The famotidine hydrochloride hydrate and the hydrolyzed famotidine hydrochloride have Z′ values of 2 and 4, respectively.This article contributes to ...
MacKenzie C. Weaver, Allen G. Oliver, Toni L. O. Barstis   +2 more
wiley   +1 more source

Matsupexole: A novel nonergot dopamine receptor agonist with sustained efficacy in a rat model of Parkinson's disease and limited off‐target activity

British Journal of Pharmacology, Volume 183, Issue 10, Page 2518-2532, May 2026.
Background and Purpose Dopamine receptor agonists, particularly targeting the dopamine D2L receptor (D2LR), have been used to treat Parkinson's disease (PD). However, valvular heart disease and somnolence, mainly caused by activating the serotonin 5‐HT2B receptor (5‐HT2BR) and dopamine D3 receptor (D3R), respectively, currently challenge their clinical
Takayuki Suzuki, Fumiki Oana, Masaki Oota, Yuma Handa, Osamu Kaminuma   +4 more
wiley   +1 more source

AlkaPlorer: A database‐driven explorer for natural alkaloids and derivatives

Journal of Integrative Plant Biology, Volume 68, Issue 5, Page 1384-1398, May 2026.
The alkaloid database AlkaPlorer integrates over 130,000 compounds across 12,250 species. By linking chemical structures with biological and evolutionary data, it reveals how these molecules evolve and function. This platform serves as a vital resource for AI‐driven discovery in plant metabolism and modern drug development. ABSTRACT Alkaloids, renowned
Jiahao Li, Tao Zeng, Hongquan Xu, Xu Kang, Minghui Liang, Ruibo Wu   +5 more
wiley   +1 more source

An atlas of plant selenium metabolism

New Phytologist, Volume 250, Issue 4, Page 2041-2060, May 2026.
Summary Selenium (Se) is not only a rare and toxic element but also an essential micronutrient for humans and animals that is often in short supply. Terrestrial plants do not require Se, but it can have growth‐promoting or negative effects, depending on the exposure level.
Jeroen van der Woude, Mark G. M. Aarts, Michela Schiavon, Antony van der Ent   +3 more
wiley   +1 more source

Operational electrochemical stability of thiophene-thiazole copolymers probed by resonant Raman spectroscopy. [PDF]

, 2015
Daniel Beatrup, Hugo Bronstein, Iain McCulloch, James R. Durrant, Jessica Wade, Ji-Seon Kim, Michael Hurhangee, Sebastian Wood, Wiberley S. E.   +8 more
core   +1 more source

Synthesis of Sulfur Heterocycles by Palladium‐Catalyzed Cyclization

European Journal of Organic Chemistry, Volume 29, Issue 14, 15 April 2026.
In spite of the well‐known palladium thiophilicity, sulfur‐containing acyclic substrates may efficiently undergo several different kinds of palladium‐catalyzed cyclization processes leading to highly important sulfur heterocycles in one synthetic step. Advances in this challenging and stimulating field of research are presented in this review.
Bartolo Gabriele
wiley   +1 more source

Thermodynamic Functions of Thiazole and iso-Thiazole

Croatica Chemica Acta, 1967
Some thermodynamic functions (the enthalpy and free energy functi ons, entropy and heat capacity) of thiazole and iso-thiazole have been calculated (300-1000° K), using the harmonic-oscillator, rigid-rotor approximation. The reported assignments for the two molecules were us ed, as were the published values for the moments of inertia of thiazole ...
openaire   +2 more sources

Efficient Machine Learning Prediction of Solvent‐Dependent 1H$$ {}^1\mathrm{H} $$ NMR Chemical Shifts in Zinc Complexes

Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
Machine learning approach (ML) for rapid and accurate prediction of 1H‐NMR shifts in zinc complexes validated against experimental NMR data across multiple solvent environments. ABSTRACT Accurate prediction of NMR chemical shifts in transition metal complexes remains challenging due to the wide range of coordination environments and complex electronic ...
Jyothika R. Pillay, Michael Ringleb, Alexander Croy, Stefan Zechel, Ulrich S. Schubert, Stefanie Gräfe   +5 more
wiley   +1 more source