Asymmetrically Fluorinated Phenyl 4-biphenylcarboxylate Motifs as a Design Principle for Enantiotropic Ferroelectric Liquid Crystals. [PDF]
Matsukizono H +4 more
europepmc +1 more source
Metal‐Ion Regulated Light‐Free Z→E Isomerization of Azobenzene Glycomacrocycle
Metal ion‐catalyzed Z→E isomerization of photoswitchable azobenzene glycomacrocycle: A new azobenzene‐based glycomacrocycle is capable of forming a 1:1 complex with divalent metal ions in both E‐ and Z‐isomers. The complexes undergo light‐free Z→E isomerization in a timescale spanning from seconds to weeks.
Yang Zhou +4 more
wiley +1 more source
Enantioselective synthesis of ring-constrained biaryls via a twist-expand-seal strategy. [PDF]
Cai Y, Zhang Y, Gao H, Huang Y.
europepmc +1 more source
A comprehensive experimental and theoretical study is presented of a family of TADF dyes. Comparing the behavior of structurally related dyes, we uncover the subtle and somewhat unexpected role of conformational degrees of freedom associated with peripheral groups that affect the delicate interplay of excited states that governs spin–orbit coupling ...
Andrea Landi +7 more
wiley +1 more source
Interplay of Bridge Topology and Conformation in Phenylene‐Bridged Trityl Diradicals
We present a meta‐phenylene‐bridged trityl diradical that exhibits an unexpectedly weak antiferromagnetic exchange coupling J with a strong environment‐dependent magnitude. Combined VSM, EPR, DFT, and MD studies reveal that structural flexibility modulates σ‐, π‐, and through‐space exchange contributions, highlighting the crucial role of geometry in ...
Kevin Lars Kopp +4 more
wiley +1 more source
Synthesis, structure and computational study of <i>N</i>-acetyl<i>-N</i>'-(4-chloro-phen-yl)-thio-urea. [PDF]
Kumar S, Hökelek T.
europepmc +1 more source
π‐Extended Salphen Scaffolds Enable CO2 Electroreduction and Singlet Oxygen Generation
New family of π‐extended salen ligands bearing phenylene bridge and tunable phenyl‐based substituents, and their corresponding boron difluoride complexes. Thanks to the extended π‐delocalization over the molecule, the ligands themselves show promising results in electrochemical CO2 reduction to CO, while the complexes act as efficient photosensitizers ...
Vincenzo Langellotti +10 more
wiley +1 more source
Fast Fourier Transform Enables Automated Parametrization of Complex Dihedral Potentials in All-Atom and Coarse-Grained Force Fields. [PDF]
Flores-Trujillo HT +3 more
europepmc +1 more source
Bordism groups of dihedral groups
KAMATA, Masayoshi, MINAMI, Haruo
openaire +2 more sources
A Cytosine‑Bulged (3+1) Hybrid G‑Quadruplex Formed by the Chicken DNA Replication Origin
The first high‐resolution structure of an OGRE‐derived G‐quadruplex from the chicken β‐globin replication origin reveals an intramolecular three‐layer (3+1) hybrid fold with a cytosine bulge and an unprecedented 5'‐outer‐quartet anti guanine, creating a distinctive surface for molecular recognition.
Yingying You +13 more
wiley +1 more source

