Results 31 to 40 of about 2,638 (197)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

A Mechanical Planar Chiral Rotaxane Induces Single‐Handed Helicity in a Twisted Perylene Diimide

Angewandte Chemie, EarlyView.
A mechanical planar chiral rotaxane (Rmp) is used to induce single‐handed helical chirality (M) in a perylene diimide chromophore, resulting in persistent circular dichroism (CD) and circularly polarised luminescence (CPL). ABSTRACT The twisting of chromophores such as perylene diimides (PDIs) into helical structures affords chiroptical properties from
Thomas E. Lawson, Denis Hartmann, Artemijs Krimovs, Qilong Sun, Robert Pal, Timothy A. Barendt   +5 more
wiley   +2 more sources

Positive Encapsulation‐Induced Emission Control of Aggregation‐Induced Emission‐Active Anthracenes within Micellar Capsules in Water

Aggregate
Whereas aggregation‐induced emission (AIE) is a useful tool to develop photofunctional host systems, its guest usability has been largely unexplored within well‐defined host compounds so far, mainly owing to the absence of suitable cavities.
Ryuki Kitaura, Yuta Kikuchi, Lorenzo Catti, Kensei Konishi, Gen‐ichi Konishi, Michito Yoshizawa   +5 more
doaj   +1 more source

Medicinal uses, phytochemistry and pharmacology of Ammodaucus leucotrichus

Clinical Phytoscience, 2020
This review summarizes selected scientific evidence on phytochemistry and pharmacological properties of Ammodaucus leucotrichus. Information was gathered via the Internet (using Scopus, PubMed, Google Scholar, Elsevier, Springer, Science Direct ...
Elhassan Idm’hand, Fouad Msanda, Khalil Cherifi   +2 more
doaj   +1 more source

Structural and Compositional Effects on the Scintillation Properties of Fast Emitting Metal‐Organic Frameworks

Advanced Science, EarlyView.
The crystalline structure, the atomic numbers of the constituent elementsand the size of MOF crystals each influence their photoluminescence and scintillation properties in distinct ways. Together, these factors provide valuable guidelines for designing systems with optimized performance and tunable timing characteristics, arising from the synergistic ...
Francesca Cova, Jacopo Perego, Biplab Joarder, Nobuhiro Yanai, Anna Vedda, Silvia Bracco, Angiolina Comotti, Angelo Monguzzi, Irene Villa   +8 more
wiley   +1 more source

Introducing Diradicaloid Thiele's Hydrocarbon Derivatives as Ligand in Transition Metal Chemistry

Angewandte Chemie, EarlyView.
N‐doped Thiele's hydrocarbon derivative is introduced as a ligand for the synthesis of mono‐ and bimetallic rhodium complexes as well as cyclometalated iridium complexes. These compounds constitute the first metal complexes based on a Thiele's hydrocarbon (or p‐quinodimethane) derivative and, to the best of our knowledge, the first cyclometalated ...
Alok Mahata, Nicolás. I. Neuman, Biprajit Sarkar   +2 more
wiley   +2 more sources

Tandocyclinones A and B, Ether Bridged C-Glycosyl Benz[a]anthracenes from an Intertidal Zone Streptomyces sp.

Marine Drugs, 2023
Two new proton-deficient metabolites, tandocyclinones A and B (1 and 2), were discovered via the chemical profiling of the Streptomyces sp. strain TDH03, which was isolated from a marine sediment sample collected from the intertidal mudflat in Tando Port,
Thanh-Hau Huynh, Eun Seo Bae, Bo Eun Heo, Jayho Lee, Joon Soo An, Yun Kwon, Sang-Jip Nam, Ki-Bong Oh, Jichan Jang, Sang Kook Lee, Dong-Chan Oh   +10 more
doaj   +1 more source

Computation‐Guided Control of Excited‐State Deactivation through Modulation of Conical‐Intersection Accessibility by Donor–Acceptor Asymmetry in Bridged Stilbene AIE Luminogens

Advanced Science, EarlyView.
Donor–acceptor asymmetry modulates conical‐intersection accessibility and topology in bridged stilbenes, providing mechanistic insight into excited‐state deactivation and aggregation‐induced emission (AIE). ABSTRACT A computation‐guided investigation of asymmetric donor–acceptor bridged stilbenes reveals structure–property relationships governing ...
Takuya Tanaka, Satoshi Suzuki, Hirosato Koyanagi, Kiyoshi Miyata, Riki Iwai, Kazunobu Igawa, Ken Onda, Ben Zhong Tang, Gen‐ichi Konishi   +8 more
wiley   +1 more source

Monolithic Porous Polymer Architectures for Visible‐to‐UV Upconversion‐Driven Photochemical Reactions

Angewandte Chemie, EarlyView.
Porous polymer monoliths embedded with sensitizer–annihilator dye pairs enable efficient solid‐state visible‐to‐ultraviolet triplet–triplet annihilation‐based photon upconversion under low‐intensity blue and green light. Their co‐continuous porous architectures balance chromophore interactions with substrate accessibility, providing robust and tunable ...
Sakura Nakagawa, Naoto Matsumoto, Masanori Uji, Maria‐Sophie Bertrams, Christoph Kerzig, Nobuhiro Yanai   +5 more
wiley   +2 more sources

Substituent‐controlled aggregate luminescence: Computational unraveling of S1/S0 surface crossing

Aggregate, 2023
We computationally investigated the molecular aggregation effects on the excited state deactivation processes by considering both the direct vibrational relaxation and the S0/S1 surface crossing, that is, the minimum energy conical intersection (MECI ...
Ping‐An Yin, Qi Ou, Qian Peng, Zhigang Shuai   +3 more
doaj   +1 more source