Results 171 to 180 of about 13,257 (251)

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

CO₂ Adsorption Capabilities of Functionalized Dyn[4]arenes. [PDF]

ACS Omega
Alektoridis K, Rauls E.
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

Macrocyclic Molecular Glues for the 14-3-3/ChREBP Interaction: Affinity and Cooperativity in an Inverse Relationship. [PDF]

Angew Chem Int Ed Engl
Pennings MAM, van den Bosch MAW, Oberheide A, Verhoef CJA, Ottmann C, Markvoort AJ, Miley GP, Brunsveld L.   +7 more
europepmc   +1 more source

Simple Guanosine—Amino Acid Hybrids as Low Molecular Weight Hydrogelators

Chemistry – A European Journal, Volume 32, Issue 23, 16 June 2026.
Unexplored guanosine‐amino acid derivatives act as low molecular weight hydrogelators. Gelation is triggered by K+ ions and pH changes and relies on G‐quadruplex formation. Small changes in the amino acid structure have a strong impact on the mechanical properties of the gels.
Silvia Pieraccini, Samuele Ruffoli, Martina Occhi, Demetra Giuri, Devis Montroni, Claudia Tomasini, Stefano Masiero   +6 more
wiley   +1 more source

Spiro‑Linked Double Tetraphenylethenes: Solid‐State Emission and Circularly Polarized Luminescence Imaging

Angewandte Chemie, Volume 138, Issue 25, 15 June 2026.
Two spirobisanthracene‐tetraphenylethene (SBA‐TPE) hybrid compounds are synthesized and their photophysical properties in the solid state reported. Circularly polarized luminescence in aggregates, films and dispersions is evaluated. Circularly polarized luminescence imaging is evaluated over crystals revealing discrimination of different types of ...
José L. Páez, Riccardo Rubino, Giulia Micolonghi, Marco Reale, Alice Sciortino, Victor Blanco, Angel Orte, Carlos M. Cruz   +7 more
wiley   +2 more sources

A Bambusuril That Responds to Anion Binding in Its Absorption Spectrum. [PDF]

J Org Chem
Grunová M, Bautista Dela Cruz JA, Slávik P, Šindelář V.   +3 more
europepmc   +1 more source

Isomerism and Relaxation Properties of Lanthanide(III) Complexes of a Ditopic Ligand with Two DO3A Units Bridged by a Methylene-bis(phosphinate) Spacer. [PDF]

Inorg Chem
Svítok A, Platas-Iglesias C, Hermann P.
europepmc   +1 more source