Results 111 to 120 of about 134,654 (299)

Comparison of Various Theoretical Measures of Aromaticity within Monosubstituted Benzene

Molecules
The effects of monosubstitution on the aromaticity of benzene are assessed using a number of different quantitative schemes. The ability of the mobile π-electrons to respond to an external magnetic field is evaluated using several variants of the NICS ...
Caleb K. Swain, Steve Scheiner
doaj   +1 more source

Substituent Effect in the Cation Radicals of Monosubstituted Benzenes. [PDF]

Int J Mol Sci, 2021
Dobrowolski JC, Dudek WM, Karpińska G, Baraniak A.   +3 more
europepmc   +1 more source

Structural Modulation of Charge Transfer in Donor–Acceptor Systems: Effects of Donor Type and Connectivity

Advanced Optical Materials, EarlyView.
A coherent phthalimide acceptor platform with planar (Cz—carbazole) and spiro‐type (SAF—spiroacridine fluorene) donors enables systematic tuning of donor geometry and coupling, driving the evolution of excited‐state topology from classical CT‐TADF and fluorescence/RTP to CT‐driven and LE‐assisted TADF with OLED efficiencies ≈ 36%.
Christopher Anton Wallerius, Robert Herzhoff, Soyoung Boo, Andreas Mischok, Dirk Hertel, Jörg‐Martin Neudörfl, Daniele Fazzi, Malte C. Gather, Klaus Meerholz   +8 more
wiley   +1 more source

Homogenous catalysis of peroxynitrite conversion to nitrate by diaryl selenide: a theoretical investigation of the reaction mechanism

Frontiers in Chemistry
Quenching peroxynitrite (a reactive oxidant species) is a vital process in biological systems and environmental chemistry as it maintains redox balance and mitigates damaging effects in living cells and the environment.
Yuan Xue, Yuan Xue, Carrie Salmon, Valentin Gogonea, Valentin Gogonea, Valentin Gogonea   +5 more
doaj   +1 more source

Ionic Dioxidovanadium(V) Complexes with Schiff-Base Ligands as Potential Insulin-Mimetic Agents-Substituent Effect on Structure and Stability. [PDF]

Molecules, 2022
Jurowska A, Szklarzewicz J, Hodorowicz M, Serafin W, Zangrando E, Mahmoudi G.   +5 more
europepmc   +1 more source

Phototunable Polarization Volume Gratings Driven by Chiral Hydrazone Switches

Advanced Optical Materials, EarlyView.
Chiral hydrazone photoswitches incorporated into polarization volume gratings enable light‐driven, reversible modulation of optical properties. UV and blue light irradiation reversibly alter the hydrazone isomer ratio, leading to tunable diffraction efficiency and spectral response across the visible spectrum.
Artem Boichuk, Lauri Uosukainen, Indu Bala, Ivan Aprahamian, Arri Priimagi   +4 more
wiley   +1 more source

DFT Study on the Substituent Effect of Anticancer Picoline-Diazido-Pt(IV) Compounds. [PDF]

Front Oncol, 2021
Mu M, Gao H.
europepmc   +1 more source

Halofuginone is a Molecular Glue Degrader of Integrin β4

Advanced Science, EarlyView.
Integrin β4 overexpression is linked to aggressive tumors and poor prognosis, but targeted therapies are lacking. We identified halofuginone (HF) as a molecular glue degrader that promotes integrin β4 degradation via the CRL4BWDR18 E3 ligase. HF suppresses tumor progression in vitro and in vivo, offering a new strategy for targeting oncogenic ...
Wei Gong, Di Yang, Junrui Tian, Yufei Chai, Tiantian Yu, Qingnan Wu, Yan Wang, Weimin Zhang, Qimin Zhan   +8 more
wiley   +1 more source

Arylamine Analogs of Methylene Blue: Substituent Effect on Aggregation Behavior and DNA Binding. [PDF]

Int J Mol Sci, 2021
Khadieva A, Mostovaya O, Padnya P, Kalinin V, Grishaev D, Tumakov D, Stoikov I.   +6 more
europepmc   +1 more source

Mitochondria and Neuromast Tagging With Fluorescent Gallium‐Triapine Analogues: In Cellulo MP FLIM and Zebrafish Live Imaging

Advanced Science, EarlyView.
Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green, Michael W. Jones, Merissa Saleem, Haobo Ge, Melita Tvardauskaite, Julia Dudzic, Fernando Cortezon‐Tamarit, Rory L. Arrowsmith, Charareh Pourzand, Gabriele Kociock‐Kohn, Nicholas H. Rees, Jonathan R. Dilworth, Stephen Faulkner, Stanley W. Botchway, David Gurevich, Sofia I. Pascu   +15 more
wiley   +1 more source