Results 171 to 180 of about 26,716 (284)

"DIVE" into hydrogen storage materials discovery with AI agents. [PDF]

Chem Sci
Zhang D, Jia X, Tran HB, Jang SH, Zhang L, Sato R, Hashimoto Y, Sato T, Konno K, Orimo SI, Li H.   +10 more
europepmc   +1 more source

Sustainable Hydrogen Production by Glycerol and Monosaccharides Catalytic Acceptorless Dehydrogenation (AD) in Homogeneous Phase

ChemSusChem, Volume 18, Issue 6, March 15, 2025.
Sustainable hydrogen production can be obtained from hydogen‐rich biomass‐derived organic molecules through Acceptorless Dehydrogenation (AD) reactions. Glycerol and sugars are available in large quantities from industry and can be successfully used as substrates in AD protocols, in the presence of tailored, selective, easily tunable and thermally ...
Sylwia Kostera, Luca Gonsalvi
wiley   +1 more source

Physically interpretable descriptors drive the materials design of metal hydrides for hydrogen storage. [PDF]

Chem Sci
Jang SH, Zhang D, Tran HB, Jia X, Konno K, Sato R, Orimo SI, Li H.   +7 more
europepmc   +1 more source

Chemoselectivity and Enantioselectivity in the Conjugate Reduction of Cinnamate Esters and a Tandem Conjugate Reduction‐Ester Hydrogenation Using Manganese Catalysts

European Journal of Organic Chemistry, EarlyView.
An improved synthesis of a manganese catalyst used for hydrogenation of ketones, esters and imines is reported. The catalyst has now been found to effect tandem conjugate reduction‐ester hydrogenations with very low amounts of allylic alcohol by‐products.
José A. Fuentes, Matthew L. Clarke
wiley   +1 more source

Digital materials ecosystem: from databases to AI agents for autonomous discovery. [PDF]

Chem Sci
Zhang D, Jia X, Wang Y, Liu H, Wang Q, Jang SH, Shah D, Ye S, Tran HB, Li H.   +9 more
europepmc   +1 more source

Triptindane‐9,10,11‐triol: Threefold Hydride Transfer from Lithium Aluminum Hydride as the Key Step to C3‐Symmetrically Trifunctionalized Tribenzo[3.3.3]propellanes

European Journal of Organic Chemistry, EarlyView.
Threefold reduction of 9,10,11‐triptindanetrione with LiAlH4 or NaBH4 yields exclusively the C3‐symmetric triol, suggesting an intracomplex (“rolling”) mechanism. However, use of LiAlH4/LiAlD4 (1 : 1) reveals a preceding hydride exchange. Mechanistic implications are discussed including the reduction of the related diketone.
Thorsten Hackfort, Bernhard M. Malorny, Andreas Mix, Beate Neumann, Hans‐Georg Stammler, Dietmar Kuck   +5 more
wiley   +1 more source

Cu₁₄H₁₂(P<i>^t</i>Bu₃)₆Cl₂-The Expanse of Stryker's Reagent. [PDF]

Molecules
Strienz M, Kimmich R, Conzelmann A, Schnepf A.   +3 more
europepmc   +1 more source

Additives Promote Divergent Reactivity in Photolytic Deoxygenation and Lactonization Reactions of Cobalt Alkoxycarbonyls

European Journal of Organic Chemistry, EarlyView.
We report a carbonylation‐homolysis process to access acyl radicals that can undergo decarboxylation or cyclization onto tethered alkenes. In both cases, ligands and additives are shown to influence the outcome to give saturated or unsaturated products, in some cases with isomerization of the initial products.
Jacob N. Hackbarth, Dana R. Chambers, Cory T. Ludwig, Tyler K. Brown, David B. C. Martin   +4 more
wiley   +1 more source

Deep learning generative model for conditional crystal structure prediction of sodium amide. [PDF]

NPJ Comput Mater
Guan R, Liu A, Song Y.
europepmc   +1 more source

Total Synthesis of rac‐Keramamine C Enabled by Intrinsic H‐Bond‐Induced Conformational Fixation of Amides

European Journal of Organic Chemistry, EarlyView.
The total synthesis of the manzamine alkaloid keramamine C (2) in its racemic form was achieved in 5 steps, with ring‐closing metathesis as the key step. The metathesis is strongly improved by an intramolecular H‐bond‐induced conformational fixation of the amide bond, inducing close proximity of the terminal double bonds in the precursor molecule.
Jana Ganzmann, Ryan Thurston, Pascal Riester, Nina Hegmann, Markus R. Heinrich   +4 more
wiley   +1 more source