Results 161 to 170 of about 9,528 (245)

Carbene-catalytic enantioselective synthesis of chiral macrocycles. [PDF]

Chem Sci
Yan H, Zhu Y, Yang G, Gu S.
europepmc   +1 more source

Smart Integration of Structural Biology and Medicinal Chemistry to Unlock Target‐Driven Drug Discovery

Medicinal Research Reviews, Volume 46, Issue 4, Page 921-944, July 2026.
ABSTRACT To enhance drug discovery efforts, medicinal chemists should evaluate, filter, and utilize relevant structural information about target proteins. Acquiring and interpreting protein structures is crucial for elucidating ligand‐receptor interactions and addressing ADME‐related considerations, making it an essential aspect of medicinal chemistry.
Matteo Rossi Sebastiano, Giulia Apprato, Serena Francisco, Giuseppe Ermondi, Giulia Caron   +4 more
wiley   +1 more source

Upgrading pillar[<i>n</i>]arenes to reversible photocontrolled self-folding hosts for photoswitchable guest uptake/release and self-assembly. [PDF]

Chem Sci
Liu AR, Gong WP, Jin Q, Zhan TG, Hai Y, Liu LJ, Zhang KD.   +6 more
europepmc   +1 more source

Self‐assembly and Lateral Cobalt Coordination of a Fivefold Symmetric Cyanostar Macrocycle on an Au(111) Surface

Chemistry – A European Journal, Volume 32, Issue 24, 23 June 2026.
Herein, we report the first example of the formation of a close‐packed, regular 2D monolayer of a fivefold symmetric cyanostar macrocycle on an Au(111) surface under ultra‐high vacuum and the structural modification of such self‐assembled architecture upon cobalt atom deposition.
Lenka Černá, Miguel Martínez García, Shanmugasibi K. Mathialagan, Sofía O. Parreiras, Koen Lauwaet, José Ignacio Urgel, Aurelio Gallardo, Amar H. Flood, Tomás Torres, José M. Gallego, Giovanni Bottari, David Écija   +11 more
wiley   +1 more source

Enhanced Cooperative Lithium Halide Recognition by Heteroditopic Halogen Bonding (XB) Macrocycles. [PDF]

Inorg Chem
Khianjinda T, Vigromsitdet S, Srisawat P, Sawektreeratana N, Tantirungrotechai J, Sukwattanasinitt M, Harding DJ, Beer PD, Tantirungrotechai Y, Bunchuay T.   +9 more
europepmc   +1 more source

Design Principles for Next Generation of Small Organic Molecules for Photodynamics Therapy Revealed by Nonadiabatic Molecular Dynamics

Chemistry – A European Journal, Volume 32, Issue 24, 23 June 2026.
Molecular design reshapes the landscape of excited‐state relaxation. Nonadiabatic dynamics reveal how electronic structure guides population flow between competing pathways beyond static energetic arguments. ABSTRACT Nitrobenzochalcogenadiazole derivatives are emerging candidates for photodynamic therapy (PDT), yet the precise mechanisms governing ...
Vinícius N. da Rocha, Davide Avagliano, Paulo C. Piquini   +2 more
wiley   +1 more source

Machine Learning Accelerates Crystallization for Structure Determination

Angewandte Chemie, Volume 138, Issue 25, 15 June 2026.
Single‐crystal X‐ray diffraction (SCXRD) is often constrained by the difficulty of obtaining suitable crystals. Here, a machine learning‐accelerated co‐crystal discovery workflow is established for a crystalline mate strategy that achieves over 95% prediction accuracy and experimentally delivers 114 co‐crystals from 120 candidates.
Cui‐Zhou Luan, Xue‐Zhi Wang, Jian‐Guo Song, Yu Gu, Jing Wu, Ye‐Ting Wang, Jin‐Feng Liang, Jia‐Le Rao, Mo Xie, Jonathan R. Nitschke, Dan Li   +10 more
wiley   +2 more sources

Beyond Passive Substituents: Tosyl-Directed Self-Templation Enables Selective Pillar[4 + 1]arene Formation and Topology Switching. [PDF]

J Am Chem Soc
Ruengsuk A, Khamphaijun K, Laoviwat P, Kamonsutthipaijit N, Tuntirungrotechai J, Shigeta Y, Hengphasatporn K, Harding DJ, Bunchuay T.   +8 more
europepmc   +1 more source

Trends in Structural and Spectroscopic Signatures of Iron(II) Complexes Supported by Systematically Varied Tetra‐N‐Heterocyclic Carbene Macrocycles

European Journal of Inorganic Chemistry, Volume 29, Issue 17, 17 June 2026.
The effects of ligand ring size and peripheral substitution on geometric and electronic structures as well as electrochemical and spectroscopic properties of a family of iron(II) complexes with macrocyclic tetracarbene ligands, often called organometallic heme analogues, have been analyzed, to provide structure/property correlations as a basis for ...
Isabelle Becker, Allyssa A. Massie, Xian Zhang, Massimiliano Morganti, Alisa Denisiuk, Marcel E. Baumert, Sebastian Dechert, Franc Meyer   +7 more
wiley   +1 more source

Programming Palladium Cage Geometry through Ligand Redox Modulation

Angewandte Chemie, Volume 138, Issue 25, 15 June 2026.
A neutral redox‐active exTTF ligand (L) forms a Pd2L4 cage, whereas its oxidized form (Lox) yields a Pd2(Lox)2 macrocycle. Lox further assembles with a dibenzothiophene derivative (L′) into Pd2(Lox)(L′)2 and Pd4(Lox)4(L′)4 architectures. Reduction of Pd2(Lox)2 and Pd2(Lox)(L′)2 restores the parent Pd2L4 cage, enabling redox controlled nuclearity ...
Jennifer Bou Zeid, Jean Nicolas, Maksym Dekhtiarenko, David Canevet, Magali Allain, Vincent Carré, Frédéric Aubriet, Laura Neukirch, Elie Benchimol, Marc Sallé, Guido H. Clever, Sébastien Goeb   +11 more
wiley   +2 more sources