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Sam J S Houston, Vasileios Karalazos, John Tinsley, Mónica B Betancor, Samuel A M Martin, Douglas R Tocher, Oscar Monroig
The replacement of fish oil (FO) with vegetable oil (VO) in feed formulations reduces the availability of n-3 long-chain PUFA (LC-PUFA) to marine fish such as gilthead seabream. The aim of this study was to examine compositional and physiological responses to a dietary gradient of n-3 LC-PUFA. Six iso-energetic and iso-nitrogenous diets (D1-D6) were fed to seabream, with the added oil being a blend of FO and VO to achieve a dietary gradient of n-3 LC-PUFA. Fish were sampled after 4 months feeding, to determine biochemical composition, tissue fatty acid concentrations and lipid metabolic gene expression...
November 20, 2017: British Journal of Nutrition
John Ewart McGrady, Nicholas Perkins, Mohammed Obies, Graham Heath, Alison Edwards, Vaida Arcisauskaite
We report here the synthesis and physical properties of two new cationic tri-metallic chains, [(PEt3)3RuCl3M'Cl3Ru(PEt3)3]1+, M' = Rh and Ir. These are isostructural with a previously reported 17-electron all-ruthenium analogue, but the switch from an open-shell d5 Ru3+ ion to d6 Rh3+/Ir3+ in the central position has profound impact on the nature of the metal-metal bonding. X-ray crystallography and spectro-electrochemistry, complemented by electronic structure analysis at the DFT and CASSCF levels, indicate that whilst the presence of a Ru3+ ion in the center of the chain allows multi-center covalent bonding to develop, a closed-shell Rh3+/Ir3+ ion pushes the system towards the exchange-coupled limit, where the terminal Ru centers are only weakly interacting...
November 13, 2017: Chemistry: a European Journal
Miho Yamada, Xiao-Pen Lee, Masaya Fujishiro, Ken Iseri, Makoto Watanabe, Hiroshi Sakamaki, Naoki Uchida, Takaaki Matsuyama, Takeshi Kumazawa, Haruo Takahashi, Akira Ishii, Keizo Sato
A highly sensitive method was developed for the analysis of alendronate in human plasma and dialysate using MonoSpin™ SAX(®) extraction and metal-free high-performance liquid chromatography (HPLC)-tandem mass spectrometry (MS/MS) following methylation with trimethylsilyldiazomethane. The chromatographic separation of the derivatives for alendronate and alendronate-d6 was achieved on an L-column2 ODS metal-free column (50 mm  ×  2 mm i.d., particle size 3 µm) with a linear gradient elution system composed of 10 mM ammonium acetate (pH 6...
November 6, 2017: Legal Medicine
Glenn Gauderat, Nicole Picard-Hagen, Pierre-Louis Toutain, Rémi Servien, Catherine Viguié, Sylvie Puel, Marlène Z Lacroix, Tanguy Corbel, Alain Bousquet-Melou, Véronique Gayrard
Bisphenol A (BPA) risk assessment is hampered by the difficulty of determining the extent of internal exposure in the human fetus and uncertainties regarding BPA toxicokinetics (TK) in the maternal-fetal unit. A feto-maternal TK model describing BPA and BPA glucuronide (BPAG) disposition in sheep was humanized, using human TK data obtained after d6-BPA administration on a cookie, to predict BPA and BPAG kinetics in the human mother-fetus unit. Validation of the model predictions included the assessed dose proportionality of BPA and BPAG disposition and the similarity between the simulated and measured time courses of BPA and BPAG in fetal rhesus monkeys after BPA maternal dosing...
November 10, 2017: Scientific Reports
Kent B Woodburn, Rita M Seston, Jaeshin Kim, David E Powell
This study utilized probabilistic risk assessment techniques to compare field sediment concentrations of the cyclic volatile methylsiloxane (cVMS) materials octamethylcyclotetrasiloxane (D4, CAS # 556-67-2), decamethylcyclopentasiloxane (D5, CAS # 541-02-6), and dodecamethylcyclohexasiloxane (D6, CAS # 540-97-6) to effect levels for these compounds determined in laboratory chronic toxicity tests with benthic organisms. The concentration data for D4/D5/D6 in sediment were individually sorted and the 95th centile concentrations determined in sediment on an organic carbon (OC) fugacity basis...
October 28, 2017: Chemosphere
Nicholas J Herkert, Scott N Spak, Austen Smith, Jasmin K Schuster, Tom Harner, Andres Martinez, Keri C Hornbuckle
Passive air samplers equipped with polyurethane foam (PUF-PAS) are frequently used to measure persistent organic pollutants (POPs) in ambient air. Here we present and evaluate a method to determine sampling rates (RS), and the effective sampling volume (Veff), for gas-phase chemical compounds captured by a PUF-PAS sampler deployed anywhere in the world. The method uses a mathematical model that requires only publicly available hourly meteorological data, physical-chemical properties of the target compound, and the deployment dates...
November 2, 2017: Environmental Science. Processes & Impacts
Alexey S Kiryutin, Grit Sauer, Sara Hadjiali, Alexandra V Yurkovskaya, Hergen Breitzke, Gerd Buntkowsky
The design and application of a versatile and inexpensive experimental extension to NMR spectrometers is described that allows to carry out highly reproducible PHIP experiments directly in the NMR sample tube, i.e. under PASADENA condition, followed by the detection of the NMR spectra of hyperpolarized products with high spectral resolution. Employing this high resolution it is feasible to study kinetic processes in the solution with high accuracy. As a practical example the dissolution of hydrogen gas in the liquid and the PHIP kinetics during the hydrogenation reaction of Fmoc-O-propargyl-l-tyrosine in acetone-d6 are monitored...
October 16, 2017: Journal of Magnetic Resonance
Jennifer L Woodring, Kelly A Bachovchin, Kimberly G Brady, Mitchell F Gallerstein, Jessey Erath, Scott Tanghe, Susan E Leed, Ana Rodriguez, Kojo Mensa-Wilmot, Richard J Sciotti, Michael P Pollastri
Human African trypanosomiasis (HAT) is a deadly disease in need of new chemotherapeutics that can cross into the central nervous system. We previously reported the discovery of 2 (NEU-617), a small molecule with activity against T. brucei bloodstream proliferation. Further optimization of 2 to improve the physicochemical properties (LogP, LLE, [1], and MPO score) [2] have led us to twelve sub-micromolar compounds, most importantly the headgroup variants 9i and 9j, and the linker variant 18. Although these 3 compounds had reduced potency compared to 2, they all had improved LogP, LLE and MPO scores...
December 1, 2017: European Journal of Medicinal Chemistry
Nannan Liu, Lin Xu, Yaqi Cai
Methyl siloxanes (MSs) have been widely added as emollients or solvents in various personal care products (PCPs) such as soap, shampoo and hair conditioner. A considerable percentage of MSs are released into the atmosphere directly from the use of PCPs in indoor environments. Indoor dust is a major reservoir of MSs, due to their particle-binding affinity. Dust ingestion could be one exposure pathway for special populations (hairdressers, for example). Though the toxicity of MSs is known, there is no information regarding the occurrence of MSs in barbershop dusts and the exposure of hairdressers through indoor dust ingestion...
October 14, 2017: Science of the Total Environment
Lin Xu, Shihe Xu, Liqin Zhi, Xudan He, Chunhui Zhang, Yaqi Cai
In one yearly cycle (2016), D4 and D5 were detected in biogas samples (n = 36, 0.105-2.33 mg/m(3)) from a Chinese municipal landfill, while D4-D6 were detected in influents/effluents of leachate storage pond (n = 72, < LOQ-30.5 μg/L). Mass loads of cVMS in both biogas (591-6575 mg/d) and leachate influents (659-5760 mg/d) increased from January to July (summer), and then decreased from July to December (winter). Removal experiments indicated that 1) hydrolysis and volatilization were predominant removal mechanism for D4 and D5, respectively, in leachate storage pond, responsible for their more significant removal (94...
November 7, 2017: Environmental Science & Technology
Melanie Zobel, Thomas Göen, Vladimir Belov, Katrin Klotz
After environmental and occupational exposure to naphthalene, 1,2-dihydroxynaphthalene (1,2-DHN) was shown to be one major metabolite in human naphthalene metabolism. However, the instability of free 1,2-DHN complicates the reliable determination of this promising biomarker in urine. To solve this stability problem, glucuronide conjugates of 1,2-DHN and the corresponding isotopically labelled D6-1,2-dihydroxynaphthalene (D6-1,2-DHN) were synthesised and applied as reference material and internal standard in a gas chromatographic-tandem mass spectrometric (GC-MS/MS) method...
October 10, 2017: Analytical and Bioanalytical Chemistry
Daisuke Nishizaki, Hideo Iwahashi
Heme and nonheme high-valent Fe(IV)═O can mediate reactions of olefin epoxidation, alkane hydroxylation, aromatic hydroxylation, S-oxidation, P-oxidation, N-dealkylation, alkylaromatic oxidation, and alcohol oxidation. Bromocycloheptane forms as a product in the reaction of high-valent Fe(IV)═O with cycloheptane, suggesting that a cycloheptyl radical reacts with CCl3Br. However, the cycloheptyl radical has not yet been directly detected. To directly detect the radical intermediate in the reaction of the high-valent Fe(IV)═O, we analyzed reaction mixtures containing chloroiron tetraphenylporphyrin, iodosylbenzene, ethanol, and α-(4-pyridyl-1-oxide)-N-tert-butylnitrone (4-POBN) in 1,2-dichloroethane by an electron spin resonance (ESR) spin-trapping method...
November 6, 2017: Inorganic Chemistry
Inocencio Higuera-Ciapara, Claudia Virués, Marcela Jiménez-Chávez, Evelin Martínez-Benavidez, Javier Hernández, Zaira Domínguez, Roberto López-Rendón, Enrique F Velázquez, Motomichi Inoue
Complex formation of D-glucosamine (Gl) and N-acetyl-D-glucosamine (AGl) with capsaicin (Cp) were studied by (1)H NMR titrations in H2O-d2 and DMSO-d6; capsaicin is the major bioactive component of chili peppers. Every titration curve has been interpreted by formulating a suitable model for the reaction equilibrium, to elucidate intermolecular interactions. In DMSO, glucosamine cations associate with each other to yield linear aggregates, and undergo pseudo-1:1-complexation with capsaicin, the formation constant being ca...
November 27, 2017: Carbohydrate Research
Masanori Morimoto, Charles L Cantrell, Shabana Khan, Babu L Tekwani, Stephen O Duke
Thirty-seven phytophenolics and their synthetic analogues were evaluated for activity against two protozoal pathogens, Leishmania donovani and Plasmodium falciparum (D6 and W2 clones), respectively. 4,6-Dimethoxyaurone demonstrated the highest activity with IC50 values of 13.2 μM and 16.9 μM against L. donovani and P. falciparum (W2 clone), respectively, without undesired cytotoxicity against VERO cells. The moiety having two benzene rings was critical to maintain the antiprotozoal activities based on the observation that both coumaranones and chromones were inactive while other test compounds, including coumarans and aurones, remained active...
October 9, 2017: Chemistry & Biodiversity
Fabrice Gritti, Sebastien Besner, Sylvain Cormier, Martin Gilar
A twin-column recycling separation process (TCRSP) is assembled and used to generate higher speed and/or higher resolution levels than those of the usual non-recycling process at the same back pressure. It enables the users to solve very challenging separation problems caused by too small selectivity factors and/or too low column efficiencies. The relative gain in speed-resolution performance increases with increasing the number of cycles in the TCRSP, decreasing the maximum allowable pressure imposed by the LC system, decreasing the column permeability, and with reducing the separation speed...
November 17, 2017: Journal of Chromatography. A
Birgit Prodinger, Gerold Stucki, Michaela Coenen, Alan Tennant
BACKGROUND: The International Classification of Functioning, Disability and Health is the international standard for describing and monitoring functioning. While the categories, the units of the classification, were not designed with measurement in mind, the hierarchical structure of the classification lends itself to the possibility of summating categories into some higher order domain. Focusing on the chapters of d4 Mobility, d5 Self-Care and d6 Domestic Life, this study seeks to ascertain if qualifiers rating of categories (0-No problem to 4-Complete problem) within those chapters can be summated, and whether such derived measurement is consistent with estimates obtained from well-known instruments which purport to measure the same constructs...
October 8, 2017: Disability and Rehabilitation
Anne Caroline Cezimbra da Silva, Juliana Raquel Raasch, Tainara Gomes Vargas, Giovana Piva Peteffi, Roberta Zilles Hahn, Marina Venzon Antunes, Magda Susana Perassolo, Rafael Linden
BACKGROUND: Therapeutic drug monitoring (TDM) of the widely prescribed antidepressant fluoxetine (FLU) is recommended in certain situations, such as occurrence of toxicity, inadequate response or suspect of poor adherence. Dried blood spot (DBS) sampling is an increasingly studied alternative for TDM, particularly for outpatients, due to its ease of collection and inherent stability. OBJECTIVES: The aim of this study was to develop and validate an LC-MS/MS assay for the simultaneous quantification of FLU and norfluoxetine (NFLU) in DBS...
October 5, 2017: Clinical Biochemistry
R G Gomes, C B Silva, S M González, R L Oliveira, M C Max, L A Lisboa, T R R Barreiros, M M Santos, F D Sarapião, E L Gastal, M M Seneda
The effect of different concentrations of alpha lipoic acid (ALA) on the development and morphology of preantral follicles, as well as the proliferative activity of granulosa cells, was assessed after short-term culture. Ovaries (n = 5) of five seasonal anestrous mares were harvested in a local abattoir. At the laboratory, nine ovarian fragments (5 × 5 × 1 mm) from each animal were used. One fragment was immediately fixed in Bouin and subjected to histological and immunohistochemistry (proliferating cell nuclear antigen, PCNA) analyses (noncultured group; D0 = day 0)...
January 1, 2018: Theriogenology
D R Miller, C M Crowe, P D Mayo, L S Reid, P J Silk, J D Sweeney
The effectiveness of a four-component "super lure" consisting of ethanol (E) and the cerambycid pheromones syn-2,3-hexanediol (D6), racemic 3-hydroxyhexan-2-one (K6), and racemic 3-hydroxyoctan-2-one (K8) on trap catches of Cerambycidae (Coleoptera) was determined in southeast United States with seven trapping experiments in 2011-2013. We captured 74 species of longhorn beetles in our three-year study. Ethanol significantly increased the mean catches of seven species and increased the number of cerambycid species detected...
July 25, 2017: Journal of Economic Entomology
Novia T X Lee, Jamie Hicks, Karl J Wallace, David R Turner
A silver thiazolylurea complex, [Ag(TUTh)2](+), has been used as a host species for geometrically differently shaped mono- and dianions: trigonal planar (NO3(-)), tetrahedral (SO4(2-)), and octahedral (SiF6(2-)). In the presence of nitrate a 1:1 near-planar tweezer host-guest species is formed, with poor binding in solution despite excellent geometric complementarity being found between the host and the anion in the solid state. In the presence of either SO4(2-) or SiF6(2-) a 2:1 host-guest species is formed, whereby the guest is held in a capsulelike arrangement stabilized by an array of eight NH hydrogen-bond donors, as confirmed by X-ray crystallographic studies...
October 5, 2017: Inorganic Chemistry
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