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This work portends the use of single-chirality carbon nanotube optical probes for applications in biomedical research.Simvastatin (Zocor) is one of the most prescribed drugs for reducing high cholesterol. Although simvastatin is ingested in its inactive lactone form, it is converted to its active dihydroxyheptanoate form by carboxylesterases in the liver. The dihydroxyheptanoate form can also be converted back to its original lactone form. Unfortunately, some of the side effects associated with the intake of simvastatin and other lipophilic statins at higher doses include statin-associated myopathy (SAM) and, in more severe cases, kidney failure. While the cause of SAM is unknown, it is hypothesized that these side effects are dependent on the localization of statins in lipid bilayers and their impact on bilayer properties. In this work, we carry out all-atom molecular dynamics simulations on both the lactone and dihydroxyheptanoate forms of simvastatin (termed “SN” and “SA”, respectively) with a pure 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid bilayer and a POPC/cholesterol (30 mol %) binary mixture as membrane models. Additional simulations were carried out with multiple simvastatin molecules to mimic in vitro conditions that produced pleiotropic effects. Both SN and SA spontaneously diffused into the lipid bilayer, and a longer simulation time of 4 μs was needed for the complete incorporation of multiple SAs into the bilayer. http://www.selleckchem.com/pharmacological_epigenetics.html By constructing potential mean force and electron density profiles, we find that SN localizes deeper within the hydrophobic interior of the bilayer and that SA has a greater tendency to form hydrogen-bonding interactions with neighboring water molecules and lipid headgroups. For the pure POPC bilayer, both SN and SA increase membrane order, while membrane fluidity increases for the POPC/cholesterol bilayer.An efficient and simple approach for stereoselective synthesis of β-Kdo C-glycosides was described, which relies on easily available peracetylated anomeric acetate or anomeric 2-pyridyl sulfide to couple with carbonyl compounds via SmI2-mediated Reformatsky reactions. The utility of this methodology is exemplified by the streamlined synthesis of a practical β-Kdo C-glycoside with an anomeric aminopropyl linker to conjugate with other biomolecules for further biological studies.We report on charge-transfer dynamics of newly designed acceptor-donor-acceptor organosilanes, with a specific focus on how donor-acceptor combination and local chemical environment can be used to control the lifetime for intramolecular charge-separation between silane electron donors and organic acceptors. In this work linear oligosilanes were capped with arene-vinyl end groups of variable electron-accepting strength weak (diester vinyl), intermediate (ester,cyano vinyl), and strong (dicyanovinyl). Ultrafast transient absorption spectroscopy was used to characterize their structure-dependent charge-transfer and recombination behaviors. All structures exhibit similar photoinduced ultrafast spectral dynamics that we ascribe to relaxation of the nascent charge-separated excited state followed by a return to the ground state via charge recombination. We find that relaxation of the nascent “hot” charge-separated excited state scales with the strength of dipole-dipole interactions between solvent molecules and thegether these results provide critical insights on how to tune photoinduced charge-transfer behavior in organic-inorganic hybrids that have potential material applications in molecular electronics and optoelectronics.Discovering new K-ion solid-state electrolytes is crucial for the emerging K-batteries to improve energy density, cycle life, and safety. Here, we present a combined experimental and theoretical study of antiperovskite K3OI as a K-ion solid-state electrolyte. A solid-solid phase transition at approximately 240 °C induces an increase in ionic conductivity by 2 orders of magnitude. Anion disorder in the I-O sublattice is found to be a potential mechanism for the observed phase transition. The Ba-doped K3OI sample K2.9Ba0.05OI achieves 3.5 mS cm-1 after the phase transition with a low activation energy of 0.36 eV. Stable cycling of K/K2.9Ba0.05OI/K symmetric cells are observed with a low overpotential of 50 mV at 0.5 mA/cm2 at 270 °C. This study not only reports K3OI as a promising K-ion solid-state electrolyte that is compatible with reactive K metal but also improves the understanding of alkali antiperovskite solid-state electrolytes in general.The Bohart-Adams model was one of the most widely used breakthrough models in column experiments. However, it usually provided a poor fit for the modeling of an asymmetric breakthrough curve. This work proposed the n-order Bohart-Adams and fractal-like Bohart-Adams models. The former indicated a nonlinear decay process of the concentration of the adsorbate or residual capacity of the adsorbent, while the latter reflected a diffusion-limited process on the heterogeneous surfaces. The Bohart-Adams and modified Bohart-Adams models were mathematically equivalent. The applicability of the n-order Bohart-Adams and fractal-like Bohart-Adams models was validated by norfloxacin and Cu(II) adsorption in a fixed-bed column. Compared with the Bohart-Adams model, the two new models had better fitting performance with higher R2 and lower χ2 values, and all of the residuals were randomly distributed. The fractal-like Bohart-Adams and modified dose-response models provided the best fitting quality for the adsorption of Cu(II) (R2 = 0.9956 and χ2 = 7.56 × 10-4) and norfloxacin (R2 = 0.9991 and χ2 = 1.37 × 10-4), respectively. This work may provide a practical method for the modeling of the asymmetric breakthrough curves.Four unprecedented base-catalyzed/mediated nucleophilic additions of TMSCN to α-(trifluoromethyl)styrenes and 2-trifluoromethyl enynes were developed. The reaction proceeded smoothly at room temperature under mild and transition-metal-free conditions without affecting the trifluoromethyl group and afforded the corresponding CF3-containing alkyl, alkynyl, and butadienyl nitriles in moderate to excellent yields in a highly regioselective manner, respectively.