Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry

M Ishikawa, Y Hashimoto - Journal of medicinal chemistry, 2011 - ACS Publications
Aqueous solubility is essential for drug candidates. Poor aqueous solubility is likely to result
in poor absorption, even if the permeation rate is high, since the flux of a drug across the …

Alternative synthetic methods through new developments in catalysis by gold

A Arcadi - Chemical Reviews, 2008 - ACS Publications
Synthetic chemists are constantly challenged to consider more environmentally benign
methods for generation of the desired target molecules. 1 Recently, there has been an …

Efficient selenium-integrated TADF OLEDs with reduced roll-off

YX Hu, J Miao, T Hua, Z Huang, Y Qi, Y Zou, Y Qiu… - Nature …, 2022 - nature.com
Organic light emitters based on multiresonance-induced thermally activated delayed
fluorescent materials have great potential for realizing efficient, narrowband organic light …

Easy and fast prediction of green solvents for small molecule donor-based organic solar cells through machine learning

A Mahmood, Y Sandali, JL Wang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
Solubility plays a critical role in many aspects of research (drugs to materials). Solubility
parameters are very useful for selecting appropriate solvents/non-solvents for various …

[HTML][HTML] Synthesis, DFT studies, molecular docking and biological activity evaluation of thiazole-sulfonamide derivatives as potent Alzheimer's inhibitors

S Khan, H Ullah, M Taha, F Rahim, M Sarfraz, R Iqbal… - Molecules, 2023 - mdpi.com
Alzheimer's disease is a major public brain condition that has resulted in many deaths, as
revealed by the World Health Organization (WHO). Conventional Alzheimer's treatments …

Solvent-induced sign inversion of circularly polarized luminescence: control of excimer chirality by hydrogen bonding

K Takaishi, K Iwachido, T Ema - Journal of the American Chemical …, 2020 - ACS Publications
A series of pyrenes sandwiched by axially chiral 1, 1′-binaphthyls were synthesized.
Among them,(R, R)-3 possessing 2-hydroxy-3, 3′-dimethylbinaphthyls exhibited solvent …

Practical and General Alcohol Deoxygenation Protocol

OP Williams, AF Chmiel, M Mikhael… - Angewandte Chemie …, 2023 - Wiley Online Library
Herein, we describe a practical protocol for the removal of alcohol functional groups through
reductive cleavage of their benzoate ester analogs. This transformation requires a strong …

Catalytic N2-to-NH3 Conversion by Fe at Lower Driving Force: A Proposed Role for Metallocene-Mediated PCET

MJ Chalkley, TJ Del Castillo, BD Matson… - ACS central …, 2017 - ACS Publications
We have recently reported on several Fe catalysts for N2-to-NH3 conversion that operate at
low temperature (− 78° C) and atmospheric pressure while relying on a very strong …

Photocatalytic CO2 Reduction Mediated by Electron Transfer via the Excited Triplet State of Zn(II) Porphyrin

Y Kuramochi, Y Fujisawa, A Satake - Journal of the American …, 2019 - ACS Publications
A porphyrin/rhenium complex dyad, ZnP-phen= Re, in which the 2-position of the 1, 10-
phenanthroline (phen) of fac-Re (phen)(CO) 3Br is directly connected with the meso-position …

Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a Meta-Selective Inverse Sonogashira Coupling

S Porey, X Zhang, S Bhowmick… - Journal of the …, 2020 - ACS Publications
The late-stage functionalization (LSF) of pharmaceutical and agrochemical compounds by
the site-selective activation of C–H bonds provides access to diverse structural analogs and …