Results 161 to 170 of about 33,099 (286)

Total synthesis of natural products based on hydrogenation of aromatic rings. [PDF]

Beilstein J Org Chem
Wu H, Qi X.
europepmc   +1 more source

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

Topology‐Dependent Coke Formation in the Catalytic Pyrolysis of Phenol Over HFAU and HZSM‐5 Zeolites

Angewandte Chemie, EarlyView.
The coke formation and speciation during the catalytic pyrolysis of lignin over different zeolite topologies were studied with a combination of operando EPR spectroscopy and ex situ pulsed techniques aided with DFT calculations. Operando EPR data showed that the coke formation in HFAU is fast compared to HZSM‐5.
Jörg W. A. Fischer, Allen Puente‐Urbina, Zeyou Pan, Mikhail Agrachev, Patrick Hemberger, Gunnar Jeschke, Jeroen A. van Bokhoven   +6 more
wiley   +2 more sources

Insights into Real Lignin Refining: Impacts of Multiple Ether Bonds on the Cracking of β-O-4 Linkages and Selectivity of Products. [PDF]

Molecules
Lv Y, Lin X, Yang K, Liu Y, Ye X, Song L, Lin C, Yang G, Liu M.   +8 more
europepmc   +1 more source

Navigating Nitration Chemistry: A Practical Guide to Reagents, Mechanisms, and Selectivity

Angewandte Chemie, EarlyView.
This review highlights key contributions of modern nitration chemistry, emphasizing sustainable mechanistic platforms and comparing the performance of both organic and inorganic reagents across aromatic, ipso‐, olefin, alkyne, and heteroatom nitration. It provides the community with a clearer, unified perspective on current advances and facilitates the
Harry Lecomte, Anthony J. Fernandes, Dmitry Katayev   +2 more
wiley   +2 more sources

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage. [PDF]

J Phys Chem A
Dumi A, Upadhyay S, Harb H, Assary RS, Sorescu DC, Jordan KD, Benali A.   +6 more
europepmc   +1 more source

Stereoselective Biotransformation: Transfer of Learning to Advance Drug Metabolism and Biocatalysis

Angewandte Chemie, EarlyView.
Understanding stereoselective biotransformations has implications for predicting drug disposition and response and may also inspire novel biocatalytic and biomimetic strategies to address challenges in metabolite and API synthesis. ABSTRACT Chirality is an important determinant of drug action, as enantiomers can exhibit markedly different ...
Grace A. Okunlola, Godwin A. Aleku
wiley   +2 more sources

Ruthenium-Based Defective MOFs as Heterogeneous Catalysts for the Hydrogenation of Carbon Dioxide to Formate. [PDF]

ACS Sustain Chem Eng
Li S, Shen T, Leng S, Bassi A, Wu D, Huang Y, Xu CC.   +6 more
europepmc   +1 more source

Radical‐Based On‐Surface Transformation of Nonplanar Aromatics Into Nonbenzenoid Nanographenes

Angewandte Chemie, EarlyView.
Formation of radicals in nonplanar hydrocarbons through thermally induced dehydrogenation leads to molecular transformation via intramolecular radical‐based cyclization and dimerization, leading to formation of nonbenzenoid nanographenes. ABSTRACT On‐surface synthesis has emerged as a powerful tool for atomically precise C─C bond formation, enabling ...
Daniel Rothhardt, Ming‐Lun Pan, Michael Píro, Stefan Niklaus Heinen, Christian Wäckerlin, Hans Josef Hug, Yao‐Ting Wu, Karl‐Heinz Ernst, Miloš Baljozović   +8 more
wiley   +2 more sources

Efficient selective hydrogenation of <i>N</i>,<i>N</i>-dimethylaniline in a continuous fixed-bed reactor over a Cu/Ni-Al₂O₃ catalyst. [PDF]

RSC Adv
Nong J, Sun Z, Zhou W, Wu Z, Qian J, Chen Q, He M.   +6 more
europepmc   +1 more source