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partition coefficient

Harm-Jan de Grooth, Jonne Postema, Stephan A Loer, Jean-Jacques Parienti, Heleen M Oudemans-van Straaten, Armand R Girbes
PURPOSE: Although the definition of septic shock has been standardized, some variation in mortality rates among clinical trials is expected. Insights into the sources of heterogeneity may influence the design and interpretation of septic shock studies. We set out to identify inclusion criteria and baseline characteristics associated with between-trial differences in control group mortality rates. METHODS: We conducted a systematic review of RCTs published between 2006 and 2018 that included patients with septic shock...
March 15, 2018: Intensive Care Medicine
Daoping Zha, Ying Li, Cunman Yang, Chi Yao
Organophosphate flame retardants (OPFRs) have been detected in the surface water, suspended sediments, and river sediments from the Yangtze River in China. A modified polar organic chemical integrative sampler (m-POCIS) was successfully used to quantify the OPFR concentrations in surface water. The OPFR concentrations estimated by the field m-POCIS at six sampling locations ranged from 8.99 to 112.45 ng/L with an average concentration of 47.04 ng/L. The OPFR concentrations in suspended sediments were related to the sediment particle size distribution...
March 15, 2018: Environmental Monitoring and Assessment
Vincent Clesi, Mohamed Ali Bouhifd, Nathalie Bolfan-Casanova, Geeth Manthilake, Federica Schiavi, Caroline Raepsaet, Hélène Bureau, Hicham Khodja, Denis Andrault
Hydrogen has been thought to be an important light element in Earth's core due to possible siderophile behavior during core-mantle segregation. We reproduced planetary differentiation conditions using hydrogen contents of 450 to 1500 parts per million (ppm) in the silicate phase, pressures of 5 to 20 GPa, oxygen fugacity varying within IW-3.7 and IW-0.2 (0.2 to 3.7 log units lower than iron-wüstite buffer), and Fe alloys typical of planetary cores. We report hydrogen metal-silicate partition coefficients of ~2 × 10-1 , up to two orders of magnitude lower than reported previously, and indicative of lithophile behavior...
March 2018: Science Advances
Chiaki Yoshioka, Yoshimasa Ito, Noriaki Nagai
Cilostazol (CLZ), an anti-platelet agent, is primarily used following the onset of cerebral infarction. However, as CLZ is only marginally soluble in water, a strategy for patients with serious secondary conditions, such as impaired consciousness or aphagia, is required. In the present study, topical formulations containing CLZ nanocrystals (CLZnano ) were designed to enhance percutaneous absorption. In addition, the mechanism of penetration of CLZnano through rat skin was investigated. A topical formulation containing CLZ nanoparticles (CLZnano gel patch) was prepared using a combination of recrystallization and ball milling of an aqueous gel...
April 2018: Experimental and Therapeutic Medicine
Ande Rostvall, Wen Zhang, Wiebke Dürig, Gunno Renman, Karin Wiberg, Lutz Ahrens, Pablo Gago-Ferrero
This study evaluated the performance of five different sorbents (granular activated carbon (GAC), GAC + Polonite® (GAC + P), Xylit, lignite and sand) for a set of 83 micropollutants (MPs) (pharmaceuticals, perfluoroalkyl substances (PFASs), personal care products, artificial sweeteners, parabens, pesticide, stimulants), together representing a wide range of physicochemical properties. Treatment with GAC and GAC + P provided the highest removal efficiencies, with average values above 97%. Removal rates were generally lower for Xylit (on average 74%) and lignite (on average 68%), although they proved to be highly efficient for a few individual MPs...
March 6, 2018: Water Research
Helena Passos, Teresa B V Dinis, Emanuel V Capela, Maria V Quental, Joana Gomes, Judite Resende, Pedro P Madeira, Mara G Freire, João A P Coutinho
In the past decade, the remarkable potential of ionic-liquid-based aqueous biphasic systems (IL-based ABSs) to extract and purify a large range of valued-added biocompounds has been demonstrated. However, the translation of lab-scale experiments to an industrial scale has been precluded by a poor understanding of the molecular-level mechanisms ruling the separation or partition of target compounds between the coexisting phases. To overcome this limitation, we carried out a systematic evaluation of specific interactions, induced by ILs and several salts used as phase-forming components, and their impact on the partition of several solutes in IL-based ABSs...
March 15, 2018: Physical Chemistry Chemical Physics: PCCP
Michał Romański, Anna Zacharzewska, Artur Teżyk, Franciszek K Główka
BACKGROUND AND OBJECTIVES: Treosulfan is a prodrug applied in the treatment of ovarian cancer and conditioning prior to stem cell transplantation. So far, the bioanalysis of treosulfan in either whole blood or red blood cells (RBC) has not been carried out. In this work, the RBC/plasma partition coefficient (Ke/p ) of treosulfan and its active monoepoxide was determined for the first time. METHODS: Male and female 10-week-old Wistar rats (n = 6/6) received an intraperitoneal injection of treosulfan at the dose of 500 mg/kg body weight...
March 14, 2018: European Journal of Drug Metabolism and Pharmacokinetics
Kazuto Narita, Yuuki Ishii, Phuc Thi Hong Vo, Fumiko Nakagawa, Shinichi Ogata, Kunihiko Yamashita, Hajime Kojima, Hiroshi Itagaki
Recently, animal testing has been affected by increasing ethical, social, and political concerns regarding animal welfare. Several in vitro safety tests for evaluating skin sensitization, such as the human cell line activation test (h-CLAT), have been proposed. However, similar to other tests, the h-CLAT has produced false-negative results, including in tests for acid anhydride and water-insoluble chemicals. In a previous study, we demonstrated that the cause of false-negative results from phthalic anhydride was hydrolysis by an aqueous vehicle, with IL-8 release from THP-1 cells, and that short-time exposure to liquid paraffin (LP) dispersion medium could reduce false-negative results from acid anhydrides...
2018: Journal of Toxicological Sciences
Sahar Dalahmeh, Sana Tirgani, Allan John Komakech, Charles B Niwagaba, Lutz Ahrens
Occurrence and concentrations of 26 per- and polyfluoroalkyl substances (PFASs) were evaluated in wastewater, surface water, soil and crop plants (yam (Dioscorea spp.), maize (Zea mays) and sugarcane (Saccharum officinarum)) in Nakivubo wetland and Lake Victoria at Kampala, Uganda. ∑PFAS concentrations in effluent from Bugolobi wastewater treatment plant (WWTP) were higher (5.6-9.1ngL-1 ) than in the corresponding influent (3.4-5.1ngL-1 ), indicating poor removal of PFASs within the WWTP. ∑PFAS concentrations decreased by a factor of approximately five between Nakivubo channel (8...
March 11, 2018: Science of the Total Environment
Yongho Shin, Jonghwa Lee, Ji-Ho Lee, Junghak Lee, Eunhye Kim, Kwang-Hyeon Liu, Hye Suk Lee, Jeong-Han Kim
A screening method for simultaneous analysis of 379 pesticides in human serum was developed using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Electrospray ionization with positive/negative switching mode of LC-MS/MS was adopted and scheduled multiple reaction monitoring for each target compound was established. The limit of quantitation was 10 ng/mL for 94.5% of the total pesticides and the correlation coefficients of calibration were ≥0.990 for 93.9% of the pesticides. For the sample preparation, scaled-down QuEChERS were used...
March 14, 2018: Journal of Agricultural and Food Chemistry
Takashi Azuma, Kana Otomo, Mari Kunitou, Mai Shimizu, Kaori Hosomaru, Shiori Mikata, Yoshiki Mino, Tetsuya Hayashi
The fate of pharmaceuticals after discharged from hospital into wastewater was clarified experimentally by using a new lab-scale conventional activated sludge (CAS) treatment reactor. The 43 target compounds belong to nine therapeutic classes (antivirals, antibacterials, anticancer drugs, psychotropics, antihypertensives, analgesic-antipyretics, contrast media, herbal medicines, and phytoestrogens) were selected with inclusion of 16 newly estimated compounds. The efficiency of the present reactor was estimated by comparing the reaction rate constant of the solid-water partition coefficients (log Kd ) between liquid and solid samples and half-life during 48-h experiment obtained by using hospital effluents with those obtained by using STP wastewater...
March 12, 2018: Environmental Science and Pollution Research International
Gergő Dargó, Krisztina Boros, László Péter, Milo Malanga, Tamás Sohajda, Lajos Szente, György T Balogh
The present study was aimed to develop a medium-throughput screening technique for investigation of cyclodextrin (CD) - active pharmaceutical ingredient (API) complexes. Dual-phase potentiometric lipophilicity measurement, as gold standard technique, was combined with the partition coefficient method (plotting the reciprocal of partition coefficients of APIs as a function of CD concentration). A general equation was derived for determination of stability constants of 1:1 CD-API complexes (K1:1,CD ) based on solely the changes of partition coefficients (logPo/w N - logPapp N ), without measurement of the actual API concentrations...
March 9, 2018: International Journal of Pharmaceutics
Ana Paula Moreno Barbosa, Paula Méndez-Fernandez, Patrick Simões Dias, Marcos César Oliveira Santos, Satie Taniguchi, Rosalinda Carmela Montone
Persistent organic pollutants (POPs) accumulate in the fat tissue of living organisms and are found in relatively high concentrations in animals at the top of the food chain, such as dolphins. The ability of these compounds to interact with the endocrine system of marine mammals constitutes a risk for the reproduction and conservation of species. The La Plata dolphin, Pontoporia blainvillei, is exclusive to the southwestern Atlantic Ocean and is classified on the IUCN red list as a vulnerable species. Blubber, liver, kidney and muscle samples from four P...
March 7, 2018: Science of the Total Environment
Matic Grom, Mirijam Kozorog, Simon Caserman, Andrej Pohar, Blaž Likozar
Protein A-based affinity chromatography is a highly-efficient separation method to capture, purify and isolate biosimilar monoclonal antibodies (mAb) - an important medical product of biopharmaceutical industrial manufacturing. It is considered the most expensive step in purification downstream operations; therefore, its performance optimization offers a great cost saving in the overall production expenditure. The biochemical mixture-separating specific interaction experiments with Chinese hamster ovary (CHO) cell culture harvest, containing glycosylated extracellular immunoglobulins (Ig), were made using five different state-of-the-art commercial resins...
March 1, 2018: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Rosa Chan, Tom De Bruyn, Matthew Wright, Fabio Broccatelli
PURPOSE: Volume of distribution at steady state (Vdss ) is a fundamental pharmacokinetic (PK) parameter driven predominantly by passive processes and physicochemical properties of the compound. Human Vdss can be estimated using in silico mechanistic methods or empirically scaled from Vdss values obtained from preclinical species. In this study the accuracy and the complementarity of these two approaches are analyzed leveraging a large data set (over 150 marketed drugs). METHODS: For all the drugs analyzed in this study experimental in vitro measurements of LogP, plasma protein binding and pKa are used as input for the mechanistic in silico model to predict human Vdss ...
March 8, 2018: Pharmaceutical Research
Jiehong Guo, Kendall Simon, Kevin Romanak, William Bowerman, Marta Venier
In this study, we measured the concentrations of 58 flame retardants (and related compounds) in bald eagle (Haliaeetus leucocephalus) egg and plasma samples from the Michigan. These analytes include polybrominated diphenyl ethers (PBDEs), novel flame retardants (nFRs), Dechlorane-related compounds (Decs), and organophosphate esters (OPEs). A total of 24 paired eaglet plasma and egg samples were collected from inland (IN, N = 13) and the Great Lakes (GL, N = 11) breeding areas from 2000 to 2012. PBDEs were the most abundant chemical group with a geometric mean of 181 ng/g wet weight (ww) in egg and 5...
March 5, 2018: Environmental Pollution
Houjie Li, Tianshuang Qiu, Shengyang Luan, Haiyu Song, Linxiu Wu
Motion blur appearing in traffic sign images may lead to poor recognition results, and therefore it is of great significance to study how to deblur the images. In this paper, a novel method for deblurring traffic sign is proposed based on exemplars and several related approaches are also made. First, an exemplar dataset construction method is proposed based on multiple-size partition strategy to lower calculation cost of exemplar matching. Second, a matching criterion based on gradient information and entropy correlation coefficient is also proposed to enhance the matching accuracy...
2018: PloS One
Stephanie Zergiebel, Andreas Seeling
Dibenzoazecines are a class of potential neuroleptics with high affinity to dopamine and serotonin receptors. The efficacy and high therapeutic range has already been demonstrated in vivo with the lead structure 7-methyl-5,6,7,8,9,14-hexahydrodibenzo[d,g]azecin-3-ol (LE404: ) and selected derivatives. There is a variety of new synthesized structurally different dibenzoazecine derivatives with the aim to improve pharmacokinetic parameters, all of which contain the lead structure LE404: . For a multitude of these substances is still a lack of information, inclusive of stability, physicochemical parameters, pharmacokinetics and metabolism...
March 6, 2018: Drug Research
Yong Li, Ling Long, Huangqian Yan, Jing Ge, Jinjin Cheng, Lijun Ren, Xiangyang Yu
The accumulation of pesticides in vegetables may have serious effects on human health and ecosystems via food chains; therefore, it is of great importance to investigate the uptake and accumulation behaviours of pesticides in vegetable tissues. In the present study, the uptake, translocation and accumulation of five neonicotinoids, thiamethoxam (THIM), clothianidin (CLO), thiacloprid (THID), acetamiprid (ACE) and dinotefuran (DIN), in komatsuna (Brassica rapa var. perviridis, a vegetable) were investigated...
February 20, 2018: Chemosphere
Jia Li, Kaina Zhang, Hua Zhang
Microplastics and antibiotics are two classes of emerging contaminants with proposed negative impacts to aqueous ecosystems. Adsorption of antibiotics on microplastics may result in their long-range transport and may cause compound combination effects. In this study, we investigated the adsorption of 5 antibiotics [sulfadiazine (SDZ), amoxicillin (AMX), tetracycline (TC), ciprofloxacin (CIP), and trimethoprim (TMP)] on 5 types of microplastics [polyethylene (PE), polystyrene (PS), polypropylene (PP), polyamide (PA), and polyvinyl chloride (PVC)] in the freshwater and seawater systems...
March 3, 2018: Environmental Pollution
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