Search Results - "Feng, Shaoxin"

Water structure in glycerol: Spectroscopic and computer simulation investigation of hydrogen bonding and water clustering by Wu, Ke, Feng, Shaoxin, Hedoux, Alain, Shalaev, Evgenyi

“…[Display omitted] •In water/glycerol solutions, water molecules are present as either monomers or clusters of variable size.•Water monomers are dominant at…”
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Competition of Hydrophobic Steroids with Sodium Dodecyl Sulfate, Dodecyltrimethylammonium Bromide, or Dodecyl β‑d‑maltoside for the Dodecane/Water Interface by Feng, Shaoxin, Bummer, Paul M

“…The surface tension lowering abilities of insoluble steroids, progesterone and testosterone, were examined at the dodecane/water interface in the presence and…”
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Empirically augmented density functional theory for predicting lattice energies of aspirin, acetaminophen polymorphs, and ibuprofen homochiral and racemic crystals by Li, Tonglei, Feng, Shaoxin

“…Lattice energies of drug crystals are closely associated with many important physicochemical properties including polymorphism of the crystals. Current quantum…”
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Determination of intraliposomal pH and its effect on membrane partitioning and passive loading of a hydrophobic camptothecin, DB-67 by Joguparthi, Vijay, Feng, Shaoxin, Anderson, Bradley D.

“…The purpose of this work was to study the effect of pH on the liposomal encapsulation of a model camptothecin anti-tumor agent, DB-67, by considering the state…”
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Non-isothermal stability by linear heating: a fast method for preformulation stability screening of drugs at the discovery and development interface by Kairer, Agnes, Feng, Shaoxin, Stella, Valentino J., Karami, Thomas K.

“…The non-isothermal method for prediction of chemical stability of pharmaceuticals has been discussed in the literature for almost half a century but it has not…”
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Face-Integrated Fukui Function:  Understanding Wettability Anisotropy of Molecular Crystals from Density Functional Theory by Li, Tonglei, Liu, Shubin, Feng, Shaoxin, Aubrey, Clare E

“…Wettability is one of the anisotropic surface properties of molecular crystals that exhibit the structural variance of chemical moieties on various growth…”
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Two populations of protein molecules detected by small-angle neutron and X-ray scattering (SANS and SAXS) in lyophilized protein:lyoprotector (disaccharide) systems by Cristiglio, Viviana, Feng, Shaoxin, Sztucki, Michael, Yuan, Xiaoda, Shalaev, Evgenyi

“…Two protein interaction peaks are observed in pharmaceutically-relevant protein (serum albumin) : disaccharide 1 : 1 and 1 : 3 (w/w) freeze-dried systems for…”
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Effect of Water on the Chemical Stability of Amorphous Pharmaceuticals: 2. Deamidation of Peptides and Proteins by Ohtake, Satoshi, Feng, Shaoxin, Shalaev, Evgenyi

“…Role of water in chemical (in)stability is revisited, with focus on deamidation in freeze-dried amorphous proteins and peptides. Two distinct patterns for…”
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Eyes on Lipinski's Rule of Five: A New "Rule of Thumb" for Physicochemical Design Space of Ophthalmic Drugs by Karami, Thomas K, Hailu, Shumet, Feng, Shaoxin, Graham, Richard, Gukasyan, Hovhannes J

“…The study objective was to investigate molecular thermodynamic properties of approved ophthalmic drugs and derive a framework outlining physicochemical design…”
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Water Distribution and Clustering on the Lyophilized IgG1 Surface: Insight from Molecular Dynamics Simulations by Feng, Shaoxin, Peters, Günther H. J, Ohtake, Satoshi, Schöneich, Christian, Shalaev, Evgenyi

“…Water has a critical role in the stability of the higher-order structure of proteins. In addition, it is considered to be a major destabilization factor for…”
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Predicting Lattice Energy of Organic Crystals by Density Functional Theory with Empirically Corrected Dispersion Energy by Feng, Shaoxin, Li, Tonglei

“…Calculation of the lattice energy of organic crystals is needed for predicting important structural and physicochemical properties such as polymorphism and…”
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Understanding Solid-State Reactions of Organic Crystals with Density Functional Theory-Based Concepts by Feng, Shaoxin, Li, Tonglei

“…Solid-state reactions are commonly observed in organic crystals, including pharmaceutical and agricultural materials, fine chemicals, dyes, explosives, optics,…”
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Study of crystal packing on the solid-state reactivity of indomethacin with density functional theory by Li, Tonglei, Feng, Shaoxin

“…Solid-state reactions are highly anisotropic. Different polymorphs of the same compound may have remarkably different chemical reactivities. It was reported…”
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Studies on drug solubilization mechanism in simple micelle systems by Feng, Shaoxin

“…Poor aqueous solubilities of drug candidates limit the biopharmaceutical usefulness in either oral or parenteral dosage forms. Lipid assemblies, such as…”
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Studies on drug solubilization mechanism in simple micelle systems by Feng, Shaoxin

“…Poor aqueous solubilities of drug candidates limit the biopharmaceutical usefulness in either oral or parenteral dosage forms. Lipid assemblies, such as…”
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Effects of impurity scattering on electron-phonon resonances in semiconductor superlattice high-field transport by Feng, Shaoxin, Grein, Christoph H, Flatte, Michael E

“…A non-equilibrium Green's function method is applied to model high-field quantum transport and electron-phonon resonances in semiconductor superlattices. The…”
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Empirical Calculations of the Formation Energies of Intrinsic Defects in Lithium Niobate by Feng, Shaoxin, Jin, Qinghua, Li, Baohui, Guo, Zhenya, Ding, Datong

“…Results of our shell-model calculations concerning the determination of empirical parameters of inter-ionic potentials and the formation energies of point…”
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