This Review illustrates the evaluation of permeability of lipid membranes from molecular
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …

Developability molecule assessment is a key interfacial capability across the
biopharmaceutical industry, screening and staging molecules discovered by medicinal …

While many approaches to predict aqueous pKa values exist, the fast and accurate
prediction of non‐aqueous pKa values is still challenging. Based on the iBonD experimental …

Herein, we report the direct carboxylation of unactivated secondary alkyl bromides enabled
by the merger of photoredox and nickel catalysis, a previously inaccessible endeavor in the …

Because of their unique effects and relatively low side effects, herbal medicine has been
gaining popularity all over the world. Quality control is a challenge to ensure safety, efficacy …

Applications of piperazine and homopiperazine in drug design are well-established, and
these heterocycles have found use as both scaffolding and terminal elements and also as a …

Permeability (P m) across biological membranes is of fundamental importance and a key
factor in drug absorption, distribution, and development. Although the majority of drugs will …

A visible-light-induced hydroxycarboxylation of α-trifluoromethylstyrenes is reported herein,
which provides a series of α-trifluoromethyl-β-carboxyl tertiary alcohols under mild and …

An increasing number of macrocyclic peptides that cross biological membranes are being
reported, suggesting that it might be possible to develop peptides into orally bioavailable …

Pd-catalyzed C–H functionalization of mandelic acid and α-phenylglycine is reported. We
have developed different protocols for the arylation, iodination, acetoxylation, and olefination …