A computational strategy for calibrating, validating and analyzing molecular dynamics (MD) simulations to predict dynamic nuclear polarization (DNP) coupling factors and relaxivities of proton spins is presented. Simulations of the polarizing agent TEMPOL in liquid acetone and DMSO are conducted at low (infinite dilution) and high (1 M) concentrations of the free radical. Because DNP coupling f...

A direct Pd-catalyzed C-H functionalization of benzoquinone (BQ) can be controlled to give either mono- or disubstituted BQ, including the installation of two different groups in a one-pot procedure. BQ can now be directly functionalized with aryl, heteroaryl, cycloalkyl, and cycloalkene groups and, moreover, the reaction is conducted in environmentally benign water or acetone as solvents.

BACKGROUND Air-drying of etched and rinsed dentin surface may force the exposed collagen fibrils to collapse. Blot-drying is an alternative method to wipe the excess water from the dentin surface without compromising the monomer penetration. Contemporary total etch adhesives contain ethanol/water or acetone as solvent in which resin monomers are dissolved. Solvent type of the adhesive system ha...

After sample processing for RNA and DNA analysis, the leftover protein pellets are usually discarded due to limited efficiency of pellet reconstitution/solubilisation. As pelleted proteins tightly packed, they most often solubilised using chaotropic agents (e.g., guanidine hydrochloride or urea), detergents SDS), salts (NaCl) basic buffer (Tris). The aim this study was define optimise procedure...

The aim of this study was to evaluate the chemical stability of diphenylcyclopropenone (DCP) in var- ious solvents. DCP is being used in topical therapy in patients with alopecia areata (AA). The solvents for DCP used so far were acetone, ethanol and propylene glycol. DCP is supposed to be an immune-modulating thera- peutic agent, however the studies on it's pharmacokinetics including chemical ...

Studies of interferon (IFN)-treated virus-infected animal cells have revealed the 2-5A system (2-5A synthetase/RNase L enzymes) as being responsible for virus inhibition only in the case of picornaviridae. To investigate whether those IFN-induced enzymes could be responsible for inhibition of poxvirus replication, we have generated recombinant vaccinia viruses (VV) containing the corresponding ...

This study evaluated the chemical properties such as water sorption, water solubility and solvent resistance of a new resin material consisting of 1,3-bis(3-methacryloxypropyl)-1,1,3,3-tetramethyldisiloxane (BMPMS) and methyl methacrylate (MMA). Water sorption was evaluated by immersing the specimens in water at 37±1°C for 1 week, water solubility was evaluated by keeping the specimens in a des...

In order to enhance solubility and dissolution rate in water, micronized l-nimodipine (NMD) has been successfully prepared by antisolvent re-crystallization process using acetone as solvent and deionized water as antisolvent. The effects of five experimental parameters on the mean particle size (MPS) of NMD nanosuspension were investigated. It was found that the MPS of NMD nanosuspension decrea...

Hydrogen bonds formed between C-H and various hydrogen bond acceptors play important roles in the structure of proteins and organic crystals, and the mechanisms of C-H bond cleavage reactions. Chloroform, a C-H hydrogen bond donor, can form weak hydrogen-bonded complexes with acetone and with dimethylsulfoxide (DMSO). When chloroform is dissolved in a mixed solvent consisting of acetone and DMS...