Results 91 to 100 of about 19,579 (241)

Cobalt‐Catalyzed C─N Bond Formation via Metal‐Hydride Hydrogen Atom Transfer (MHAT)

Angewandte Chemie, EarlyView.
Cobalt‐catalyzed metal‐hydride hydrogen atom transfer (Co‐MHAT) converts simple alkenes into C─N bonds under mild, near‐neutral conditions. A shared Co─H‐initiated radical/organocobalt intermediate is channeled into radical trapping, radical‐polar crossover, or radical ligand transfer, unifying hydroamination, hydroazidation, hydroamidation, and remote
Arman Khosravi, Ming‐Yu Ngai
wiley   +2 more sources

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Energy Transfer‐Mediated Magnetoluminescence of an Octahedral MnII Complex Ligated With Bis(Diphenylphosphino)Methane Dioxide

Angewandte Chemie, EarlyView.
Energy‐transfer‐mediated magnetoluminescence of paramagnetic transition metal complexes: dope solids of an octahedral MnII complex into the corresponding ZnII complex exhibited a pronounced magnetic field response of emission spectra under the application of magnetic fields.
Asato Mizuno, Takuto Mibu, Ryota Matsuoka, Takema Hikawa, Shojiro Kimura, Tetsuro Kusamoto   +5 more
wiley   +2 more sources

From Lanthanides to Radioactivity

, 2013
This paper describes the step by step journey of explaining the Lanthanides, the Ytterbium jump, the relocation of the Helium electron pair around the nucleus and the final result of radioactivity.  Believe it or not, the incidents are all related.
Richard Morefield (450149)
core   +1 more source

Discovery of Novel Materials with Giant Dielectric Constants via First‐Principles Phonon Calculations and Machine Learning

Advanced Intelligent Discovery, EarlyView.
We discovered novel materials with giant dielectric constants by combining first‐principles phonon calculations and machine learning. Screening 525 perovskites identified six candidates. RbNbO3 was synthesized under pressure and showed ε ≈ 800–1000. This validates our framework as a powerful tool for high‐performance dielectric materials discovery.
Hiroki Moriwake, Kazuki Shitara, Rie Yokoi, Takeharu Kato, Isao Tanaka, Ayako Yamamoto, Kimitoshi Murase, Yosuke Hamasaiki, Yoshitaka Ehara, Mitsuru Itoh   +9 more
wiley   +1 more source

Rhenium‐Based β‐Galactosidase Probe Allows Senescence Profiling by Mass Cytometry

Angewandte Chemie, EarlyView.
Senescence‐associated β‐galactosidase (SA‐β‐Gal) activity is a widely accepted biomarker of cellular senescence, yet its integration with other senescence markers has been limited by available detection methods. Here, we introduce ReGal, a mass cytometry‐compatible SA‐β‐Gal activity probe that can be multiplexed with established markers of senescence ...
Adam Tam, Kris Elbein, Aleida G. Gonzalez, Edgar A. Arriaga, Mark Nitz   +4 more
wiley   +2 more sources

Machine‐Learning‐Assisted Onset‐Time Determination in Transient Luminescence Thermometry

Advanced Intelligent Discovery, EarlyView.
Artificial neural networks enable autonomous extraction of onset times from transient heating curves in luminescence thermometry. Using Ln3+‐doped upconverting nanoparticles as luminescent thermometers, we combine experimental transients with physically motivated synthetic curves to enhance data diversity and improve generalization.
David J. Sousa, Erving Ximendes, Luís D. Carlos, Carlos D. S. Brites   +3 more
wiley   +1 more source

Rare‐Earth Multivariate Metal–Organic Frameworks: Cationic Radius Biased Compositional Control and Property Tuning

Angewandte Chemie, EarlyView.
A family of multivariate metal–organic frameworks, UoB‐116(Ln), can be prepared using up to 16 different metals, revealing the ability to tune properties through compositional control. ABSTRACT The synthesis of a multivariate metal–organic framework (MTV‐MOF) family, [Ln(DNNDI)1.5]n (UoB‐116), is reported (DNNDI: N,N'‐bis(dinicotinate)‐1,4,5,8 ...
Adnan Ishaq, Joseph O. Ogar, Asif Raza, Musa M. Mahmud, Jacob L. Brownlee, Danielle E. Schier, Stephen P. Argent, Lucy Clark, Soumya Mukherjee, Neil R. Champness   +9 more
wiley   +2 more sources

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Record Dissymmetry in Vibrational Optical Activity: Combining Vibronic Coupling and Aggregation in Cobalt(II) Camphorate Complexes

Angewandte Chemie, EarlyView.
The cobalt(II) bis(trifluoroacetylcamphorate) scaffold exhibits versatile coordination chemistry with solvent‐driven ligand exchange and geometrical rearrangements, associated with unique chiroptical properties. Microcrystalline suspension of [Co(tfc)2(CH3CN)2] revealed the largest VCD dissymmetry factor ever reported (g ≈ 0.2 at 1600 cm−1), arising ...
Gianmarco Papi, Massimo Guelfi, Stefano Zacchini, Fabio Marchetti, Gennaro Pescitelli   +4 more
wiley   +2 more sources