Article using literature solubilities to obtain properties or descriptors of melatonin.

This article sets out an equation for partition of 87 neutral molecules from water to o-nitrophenyl octyl ether, NPOE, an equation for partition of the 87 neutral molecules and 21 ionic species from water to NPOE, and an equation for partition of 87 neutral molecules from the gas phase to NPOE.

Article describes study demonstrating that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.

Abstract: Errors are found in the mathematical correlation based on the combined Jouyban-Acree and Modified Apelblat model for describing the variation in the mole fraction solubility of cefpiramide with temperature and solvent composition for the binary aqueous-ethanol solvent system. The equation coefficents given by Tang and coworkers, when substituted into the model equation, do not yield the authors' calculated mole fraction solubilities of cefpiramide.

This article describes the use of a gas chromatographic headspace analysis method to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K.

This article uses equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives.

This article provides a commentary on mathematical errors concerning the incorrect conversion of mass fraction to volume fraction concentrations of 1,4-dioxane, the incorrect conversion of mole fraction solubilities to molar solubilities of Etodolac, and the incorrect calculation of the ideal mole fraction solubility of Etodolac.

Article using the two-channel Kohn inverse and Kohn variational methods to investigate ground-state positronium (Ps) formation in positron-hydrogen collisions in the Ore gap. This is the Accepted Manuscript Version of the article.

Article investigates cooperative spontaneous emission, theoretically and experimentally, for an ensemble of emitters coupled to a core-shell structure.

This roadmap article presents an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed.

Rate coefficients, k, for the gas-phase reaction of the OH radical with (E)CF3CHCHCF3 ((E)-1,1,1,4,4,4-hexafluoro-2-butene, HFO-1336mzz(E)) were measured over a range of temperatures (211−374 K) and bath gas pressures (20−300 Torr; He, N2) using a pulsed laser photolysis−laser-induced fluorescence (PLP−LIF) technique. k1(T) was independent of pressure over this range of conditions with k1(296 K) = (1.31 ± 0.15) × 10−13 cm3 molecule−1 s−1 and k1(T) = (6.94 ± 0.80) × 10−13exp[−(496 ± 10)/T] cm 3 molecule−1 s−1, where the uncertainties are 2σ, and the pre-exponential term includes estimated systematic error. Rate coefficients for the OD reaction were also determined over a range of temperatures (262−374 K) at 100 Torr (He). The OD rate coefficients were ∼15% greater than the OH values and showed similar temperature dependent behavior with k2(T) = (7.52 ± 0.44) × 10−13exp[−(476 ± 20)/T] and k2(296 K) = (1.53 ± 0.15) × 10−13 cm3 molecule−1 s−1. The rate coefficients for reaction 1 were also measured using a relative rate technique between 296 and 375 K with k1(296 K) measured to be (1.22 ± 0.1) × 10−13 cm3 molecule−1 s−1, in agreement with the PLP−LIF results. In addition, the 296 K rate coefficient for the O3 +( E)CF3CHCHCF3 reaction …

This article examines experimental heats of formation and enthalpies obtained from G4 calculations to find that the resonance stabilization of the two unpaired electrons in triplet O₂, relative to the unpaired electrons in two hydroxyl radicals, amounts to 100 kcal/mol.

Article studying the effect of MS222 on hemostasis in Zebrafish. The authors performed various assays and find that Hct values, the amount of blood collected, bleeding, and coagulation differ significantly between anesthetized and nonanesthetized fish. These results suggest that blood collected after MS222 anesthesia of zebrafish has altered hemostasis.

This article creates a well-defined architecture for functional materials composed of spontaneously self-assembled electron donor and acceptor entities capable of generating long-lived charge-separated states upon photoillumination and reports the synthesis of a new fullerene–bis-Zn-porphyrin e-bisadduct by tether-directed functionalization of C60 via a multistep synthetic protocol.

This article calculates Abraham model solute descriptors using published solubility data for 4,5-dihydroxyanthraquinone-2-carboxylic acid dissolved in several organic solvents of varying polarity and hydrogen-bonding character.

This article determines Abraham model L solute descriptors for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat’s retention indices based upon gas–liquid chromatographic measurements.

Article reports an ab initio computational study of the optical dielectric properties of Silicon telluride (Si2Te3) using the GW approximation and the Bethe-Salpeter equation (BSE).

This article describes a new methodology for monitoring sucrose labeling using liquid chromatography tandem mass spectrometry (LC-MS/MS). To date, the most commonly used method to monitor sucrose labeling is by nuclear magnetic resonance, which requires substantial amounts of biological sample.

Article exploring PAD4 functions in plant defense by expressing the N-terminal PAD4 lipase-like domain (PAD4ᴸᴸᴰ) without its C-terminal EDS1-PAD4 (EP) domain. The authors show that transgenic expression of PAD4ᴸᴸᴰ in Arabidopsis is sufficient for limiting GPA infestation but not for conferring basal and effector-triggered pathogen immunity. This suggests that the C-terminal PAD4 EP domain is necessary for EDS1-dependent immune functions but is dispensable for aphid resistance. Moreover, PAD4ᴸᴸᴰ is not sufficient to interact with EDS1, indicating the PAD4-EP domain is required for stable heterodimerization. These data provide molecular evidence that PAD4 has domain-specific functions.

Article presents research that shows Arabidopsis MYZUS PERSICAE-INDUCED LIPASE 1 (MPL1), via its influence on limiting jasmonic acid (JA) accumulation, restricts Fusarium graminearum (Fg) infection.

Article describes study which shows that resistance against fusarium graminearum, the primary casual agent of fusarium head blight (FHB), can be enhanced by flg22, a bacterial microbe-associated molecular pattern (MAMP).

This article predicts that marine-derived bacteria should inhibit Vibrio pathogens and may be a source of unique antibiotic compounds.

Article is a study with the goal of optimizing and validating the use of a colorimetric plate-based respiratory burst and fluorometric plate-based phagocytic cell activity assays for use with kidney cells from the fathead minnow (Pimephales promelas), an emerging immunotoxicity model.

This article reports the first draft genome of Pseudomonas monteilii BCN3, a cyanotroph isolated from sewage sludge.