Understanding
the complex relationships among molecular structures,
weak solute–solvent interactions, and dissolving affinity is
fundamentally important to successfully identify potential solvents
from a large chemical space for diverse absorption capture and separation.
In this study, a series of compounds including alkanolamines, amines
with cyclic substituents, etheramines, polyamines, sulfonamides, and
several commercial physical absorption solvents were selected and
methyl mercaptan (MeSH) was used as a model organosulfide for both
the quantum chemistry calculation and solubility measurement. The
weak intermolecular interactions within different solvent–solute
systems were examined by using reduced density gradient and quantum
theory of atoms in molecules analyses. The relationship between the
structural characteristics of the solvents and their interactions
with MeSH was revealed, and the intermolecular interaction is correlated
to the dissolubility of MeSH-in-solvent. Rules for designing molecules
were proposed and used to guide the generation of a potential solvent
with enhanced dissolving affinity to MeSH, 1-(2-(diethylamino)ethoxy)butan-2-amine.
It is indicated that the designed compound has stronger intermolecular
interaction with MeSH as compared to the screened solvent candidate.
The present study enables efficient molecular exploration and design
of solvent candidates for absorption capture of diverse environmental
unfriendly compounds as well as wide separation applications based
on selective dissolving.
BMS309403 is a biphenyl azole inhibitor against fatty acid binding protein 4 (FABP4) and regarded as a lead compound for effective treatment of obesity related cardio-metabolic diseases. Here we discovered an off-target activity of BMS309403 in that it stimulates glucose uptake in C2C12 myotubes in a temporal and dose dependent manner via activation of AMP-activated protein kinase (AMPK) signaling pathway but independent of FABPs. Further analysis indicated that BMS309403 activates AMPK through increasing the ratio of intracellular AMP:ATP while decreasing mitochondrial membrane potential. These findings provide mechanistic insights on the action of BMS309403.
Metal–organic
frameworks (MOFs) have been finding increasing
involvements in the capture of environmentally unfriendly compounds
including volatile organosulfides contained in a wide range of energy
sources owing to their editable structures. In this study, modulation
of interaction and diffusion for sulfide adsorption on Cu-BTC frameworks
was achieved via doping a series of transition-metal ions (Ni, Co,
Fe, Zn, and Cr) at a low content through post-synthesis in an ethanol
system. Synthesized samples were characterized, and dimethyl disulfide
(DMDS) adsorption on different metal-doped structures were carefully
studied through adsorption measurements combined with computational
simulation. The results indicate that the transition-metal doping
into the Cu-BTC structure at low content not only enhances the guest–host
interaction via altering the cation compositions (introducing external
ions along with reduction of Cu(II) to Cu(I)) but also promotes pore
diffusion of DMDS through modifying porosities of the porous architectures.
The present study highlights the tunable modification of the metal–organic
framework structures via low metal doping and provides insights into
the function-oriented structural optimization of their infrastructures.
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