Results 161 to 170 of about 64,264 (235)

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Yb2‐Tb Upconversion in a Hetero‐Trimetallic Molecular Lanthanide Complex

Angewandte Chemie, EarlyView.
Lanthanides are at the forefront of photon upconversion in molecular systems; however, the chemical nature of the lanthanides makes site‐specific coordination chemistry difficult to achieve. Here, we employ kinetically stabile building blocks to achieve hetero‐trimetallic 4f complexes with complete site‐specific chemical control.
Nicolaj Kofod, Matthew E. Thornton, Abigail Richardson, Charles Smith, Sabina Gurung, Patrick Parkinson, Stephen Faulkner, Sam Hay, Louise S. Natrajan   +8 more
wiley   +2 more sources

CSF‐Compartmentalized Antibody Glycoprofiles in NMDAR Encephalitis Associate with Etiology and Functional Recovery

Annals of Neurology, EarlyView.
Objective To characterize Fc‐glycosylation profiles in patients with anti‐N‐methyl‐D‐aspartate receptor encephalitis (NMDARe) and assess their association with antibody compartmentalization (cerebrospinal fluid [CSF] vs serum), disease triggers (viral, tumor‐related or idiopathic), and 1‐year outcomes.
Laura Marmolejo, Claudia Papi, Chiara Milano, Esther Aguilar, Estibaliz Maudes, Ivana Duvnjak Orešković, Jerko Štambuk, Maja Pučić‐Baković, Gemma Olivé‐Cirera, Elianet Fonseca, Mar Guasp, Eugenia Martinez‐Hernandez, Helena Ariño, Takahiro Iizuka, Thais Armangué, Josep Dalmau, Marianna Spatola   +16 more
wiley   +1 more source

Hyperpolarization of Molecular Deuterium

Angewandte Chemie, EarlyView.
Hyperpolarized molecular deuterium is generated and detected using a nonhydrogenative SABRE catalyst with nicotinamide. The resonance shows a strongly enhanced partially negative line, substrate‐dependent and sensitive to transient intermediates.
Theresa L. K. Hune, Anakin Aden, Julius F. Matz, Denis Moll, Ilya Kuprov, Stefan Glöggler   +5 more
wiley   +2 more sources

Biosynthesis of Kaitocephalin: A Neuroprotective Natural Product Featuring a Peptide‐Like yet Nonpeptidic Scaffold

Angewandte Chemie, EarlyView.
Kaitocephalin (KCP) is a neuroprotective fungal metabolite with a unique scaffold of amino acids linked via C–C bonds. Genome‐transcriptome analyses identified its biosynthetic gene cluster (kpb cluster) in Eupenicillium shearii. LC‐MS/MS profiling identified four new KCP‐related compounds.
Yukari Maeno, Taro Shiraishi, Naoya Saito, Jun‐ichi Maruyama, Kazuo Shin‐ya, Tomohisa Kuzuyama   +5 more
wiley   +2 more sources

Beyond Hydrogen Bonding: π···π Stacking Directed Self‐Assembly of Carboxylic Acid Clusters in the Gas Phase

Angewandte Chemie, EarlyView.
A critical transformation from hydrogen‐bonded trimers to π–π stacked tetramers is unveiled by microwave spectroscopy, highlighting dispersion as a key force in directing carboxylic acid aggregation. ABSTRACT Carboxylic acids critically influence atmospheric chemistry by modulating acidity, new particle formation, and aerosol growth.
Jingling Hong, Melanie Schnell, Mingfei Zhou, Weixing Li   +3 more
wiley   +2 more sources

Photochemical Cyclization of Tertiary Buta‐2,3‐dienamides to β‐Lactams Upon Triplet Energy Transfer

Angewandte Chemie, EarlyView.
Energy transfer is the key to the successful photocyclization of the title compounds to 3,4‐disubstituted 2‐azetidinones. If the substituent at the nitrogen atom is primary (R2 = H), trans products are formed exclusively. The triplet state of xanthen‐9‐one (XT) was found to be quenched by an allene amide (R, R2 = H, R1 = Bn, and R3 = Ph) with a ...
Johannes Hofer, Maria‐Sophie Bertrams, Christoph Kerzig, Thorsten Bach   +3 more
wiley   +2 more sources

Anion‐Controlled Structural Interconversion of Palladium Cages Enables Separations by Selective Guest Capture and Release

Angewandte Chemie, EarlyView.
We report a pair of interconvertible palladium(II) cages assembled from an asymmetric ligand, whose switching is triggered by specific counter‐anions, tetrafluoroborate (BF4−) and bis(trifluoromethanesulfonyl)imide (NTf2−). Their complementary guest preferences enable orthogonal, multi‐cycle catch‐and‐release, exemplified by the selective purification ...
Zhe Li, Tanya K. Ronson, Charlie T. McTernan   +2 more
wiley   +2 more sources

Crystals as Rockets: Modulation of the Salient Temperature in Cocrystals by Solvent Mixture Composition

Angewandte Chemie, EarlyView.
Compositionally engineered mixed solvated cocrystals enable modulation of thermosalient actuation. Guest ratio controls thermosalient temperature and propulsion intensity, providing a tunable platform for designing crystalline systems that exhibit stimuli‐responsive mechanical motion.
Ernesto A. Hernández‐Morales, Dayra Barreto‐Hernández, Dazaet Galicia‐Badillo, Rubén A. Toscano, M. Elena García‐Aguilera, Braulio Rodríguez‐Molina   +5 more
wiley   +2 more sources

Photoenzymatic Hydroalkylation Enables Streamlined Access to Aryl Glutarimide Precursors

Angewandte Chemie, EarlyView.
We report a photoenzymatic hydroalkylation that enables streamlined, stereocontrolled access to aryl glutarimide precursors relevant to targeted protein degradation. Engineered flavin‐dependent “ene”‐reductases provide broad scope and high enantioselectivity through a distinct electron transfer–enantioselective proton transfer pathway.
Zhi Xu, Prasun Mukherjee, Steven Gossert, Stephen Thomas, Vasil H. Vasilev, Eric R. Welin, Yichen Tan, Shane M. McKenna, Megan A. Emmanuel, Todd K. Hyster   +9 more
wiley   +2 more sources