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Background: The synthetic liver X receptor ligand (LXR) T0901317 (T0) has been reported to attenuate atherosclerosis (AS) without hyperglyceridemia due to innovative drug combination or nano-sized drug delivery. Given the key roles of mangiferin (MGF) in lipid metabolism and atherogenesis, it is critical to investigate progression of atherosclerotic lesion after combined treatment of MGF and T0. Methods: Atherosclerotic plaque formation and hepatic lipid accumulation were compared in Apoe−/− mice among T0 and/or MGF treatment. The in vitro functions of MGF and T0 were analyzed by Oil-red O staining, cholesterol efflux assay, transmission electron microscopy and western blot analyses with or without acetylated low density lipoprotein. Results: The combination therapy are effective regulators for atherosclerotic plaque formation in Apoe−/− mice, due to upregulation of ABCA1 and ABCG1 induced by LXR activation. Subsequently, we identified autophagy promoted by MGF and T0 treatment establishes a positive feedback loop that increases cholesterol efflux, resulted from LXRα activation. Under atherogenic conditions, the autophagy inhibitor CQ abolished the enhancement effect on cholesterol outflow of MGF and T0. Mechanically, MGF and T0 promotes LXRα and mTOR/AMPK signaling cascade in macrophage, and promotes AMPK signaling cascade in hepatocyte, leading to lipid metabolic homeostasis. Conclusions: Altogether, our findings reveal that MGF and T0 engages in AS therapy without side effects by activating AMPK-dependent autophagy to promote macrophage cholesterol efflux, and MGF might serve as a natural compound to assist T0 in AS via targeting autophagy. [ABSTRACT FROM AUTHOR]

Fezolinetant (VEOZAH™) is an oral, small molecule, neurokinin 3 receptor (NK3R) antagonist, which is being developed by Astellas Pharma Inc. for the treatment of moderate to severe vasomotor symptoms (VMS) or hot flashes due to menopause. Inhibiting NK3R-mediated signalling in the central nervous system is a non-hormonal strategy to modulate the activity of neurones that are associated with thermoregulation, thereby reducing the frequency and severity of VMS. Fezolinetant received its first approval in the USA in May 2023 for the treatment of moderate to severe VMS due to menopause. This article summarizes the milestones in the development of fezolinetant leading to this first approval in this indication. [ABSTRACT FROM AUTHOR]

Polyurethane foams (PUFs) are a significant group of polymeric foam materials. Thanks to their outstanding mechanical, chemical, and physical properties, they are implemented successfully in a wide range of applications. Conventionally, PUFs are obtained in polyaddition reactions between polyols, diisoycyanate, and water to get a CO2 foaming agent. The toxicity of isocyanate has attracted considerable attention from both scientists and industry professionals to explore cleaner synthesis routes for polyurethanes excluding the use of isocyanate. The polyaddition of cyclic carbonates (CCs) and polyfunctional amines in the presence of an external blowing agent or by self-blowing appears to be the most promising route to substitute the conventional PUFs process and to produce isocyanate-free polyurethane foams (NIPUFs). Especially for polyhydroxyurethane foams (PHUFs), the use of a blowing agent is essential to regenerate the gas responsible for the creation of the cells that are the basis of the foam. In this review, we report on the use of different blowing agents, such as Poly(methylhydrogensiloxane) (PHMS) and liquid fluorohydrocarbons for the preparation of NIPUFs. Furthermore, the preparation of NIPUFs using the self-blowing technique to produce gas without external blowing agents is assessed. Finally, various biologically derived NIPUFs are presented, including self-blown NIPUFs and NIPUFs with an external blowing agent. [ABSTRACT FROM AUTHOR]

Introduction: We evaluated elagolix and leuprolide from the patient's perspective for the treatment of endometriosis-related pain.Area Covered: Preference weights from a published discrete choice experiment were used to evaluate preferences for treatment profiles simulating elagolix (150 mg/day and 200 mg/twice-daily dosages) and leuprolide for the treatment of moderate to severe endometriosis-related pain. Sensitivity analyses were conducted by varying the range of risk for pregnancy-related problems, moderate to severe hot flashes, and bone fracture across scenarios.Expert Opinion: The 200 mg twice daily dosage of elagolix is more likely to be preferred over leuprolide by patients with moderate to severe endometriosis-related pain in all scenarios explored in the evaluation and sensitivity analyses. The probability that an average respondent would select a treatment was sensitive to increases in risk of moderate to severe hot flashes for leuprolide and possible variations in the risk of pregnancy-related problems for both treatments but was not influenced by an increased risk of bone fracture.Conclusions: Patients' preferences for treatment of endometriosis-related pain should be evaluated using the benefits and risks of each pharmacological option. Respondents were more likely to prefer the treatment profile similar to 200 mg twice daily elagolix over that of leuprolide in all scenarios. [ABSTRACT FROM AUTHOR]

The relative value of and motivation for abused drugs often increases with drug experience and differs based on drug availability. Here, we determined how different intake patterns of fentanyl, a μ-opioid agonist, alter economic demand for fentanyl and how 5-HT2A receptor stimulation affects economic demand for fentanyl. We used a within-session demand threshold procedure to characterize changes in economic demand for fentanyl before and after intermittent or continuous access schedules. We subsequently tested the acute effects of 5-HT2A receptor stimulation with psychedelic 2,5-dimethoxy-4-iodoamphetamine (DOI) on economic demand for fentanyl. Extended fentanyl experience with both intermittent and continuous schedules increased fentanyl consumption at low cost (Q0 ), increased total fentanyl consumption, and decreased demand elasticity (α), indicating both schedules elevated motivation to self-administer fentanyl. Overall, the two schedules produced similar alterations in economic demand for fentanyl, although low-cost consumption (Q0 ) increased more in the continuous access group. Systemic injections of DOI (0.0-0.4 mg/kg, i.p.) dose-dependently produced economic demand changes in the opposite direction produced by fentanyl experience. DOI decreased motivation (increased "α"), decreased Q0 , and decreased total fentanyl consumption. The selective 5-HT2A antagonist, M100907 (0.3 mg/kg, i.p.), blocked the effects of DOI, indicating that DOI is acting through 5-HT2A receptors to alter economic demand for fentanyl. In an economic food demand experiment, DOI (0.4 mg/kg) also increased demand elasticity and reduced food consumption. These results demonstrate that both intermittent and continuous fentanyl experience raise the economic demand for fentanyl, and acute 5-HT2A receptor activation reduces economic demand for fentanyl and food. [ABSTRACT FROM AUTHOR]

Pain associated with endometriosis is a considerable burden for women, permeating all aspects of their lives, from their ability to perform daily activities to their quality of life. Although there are many options for endometriosis-associated pain management, they are often limited by insufficient efficacy, inconvenient routes of administration, and/or intolerable side effects. Elagolix, a nonpeptide, small-molecule gonadotropin-releasing hormone (GnRH) receptor antagonist, is the first new oral therapy to be approved for the treatment of endometriosis-associated pain in the United States in more than a decade. Modulation of estradiol with elagolix is dose dependent and ranges from partial to full suppression. Clinical evidence has shown that elagolix at both approved doses (150 mg once daily and 200 mg twice daily) is effective for reducing symptoms of pelvic pain (dysmenorrhea, nonmenstrual pelvic pain, and dyspareunia), improving quality of life, and decreasing use of rescue analgesics (nonsteroidal anti-inflammatory drugs and/or opioids). The availability of two dosing options allows for individualization of treatment based on baseline clinical factors and response to therapy. Elagolix is well tolerated, with less pronounced hypoestrogenic effects compared with GnRH agonists. This review provides an overview of elagolix, highlighting currently available treatment options and the application of this new treatment for women with endometriosis-associated pain. [ABSTRACT FROM AUTHOR]

We report unambiguous experimental and theoretical evidence of intramolecular photoelectron diffraction in the collective vibrational excitation that accompanies high-energy photoionization of gas-phase CF4, BF3, and CH4 from the 1s orbital of the central atom. We show that the ratios between vibrationally resolved photoionization cross sections (v-ratios) exhibit pronounced oscillations as a function of photon energy, which is the fingerprint of electron diffraction by the surrounding atomic centers. This interpretation is supported by the excellent agreement between first-principles static-exchange and time-dependent density functional theory calculations and high resolution measurements, as well as by qualitative agreement at high energies with a model in which atomic displacements are treated to first order of perturbation theory. The latter model allows us to rationalize the results for all the v-ratios in terms of a generalized v-ratio, which contains information on the structure of the above three molecules and the corresponding molecular cations. A fit of the measured v-ratios to a simple formula based on this model suggests that the method could be used to obtain structural information of both neutral and ionic molecular species. [ABSTRACT FROM AUTHOR]

Objective: To evaluate the effects of elagolix on clinically meaningful improvements in health-related quality of life (HRQOL) measured by the EHP-30 (Endometriosis Health Profile-30).Methods: Data from two phase III trials of elagolix for moderate to severe pain associated with endometriosis were pooled and analyzed as three groups: placebo, elagolix 150 mg once daily, or elagolix 200 mg twice daily. Patients were administered the EHP-30 questionnaire at baseline, and at months 1, 3, and 6 of treatment. Previously established responder definitions were applied to determine percentages of patients with clinically meaningful EHP-30 improvements. The probability of meeting EHP-30 responder definitions with elagolix compared with placebo at months 3 and 6 was determined by Poisson regression analysis, controlling for baseline scores.Results: At month 6, the probabilities of meeting EHP-30 subscale responder definitions for pain, control and powerlessness, self-image, social support, emotional well-being, and sexual intercourse were 169% (adjusted relative risk [aRR]: 2.69, 95% CI 2.26-3.21), 129% (aRR 2.29, 95% CI 1.96-2.67), 80% (aRR 1.80, 95% CI 1.54-2.11), 70% (aRR 1.70, 95% CI 1.47-1.97), 67% (aRR 1.67, 95% CI 1.45-1.92), and 62% (aRR 1.62, 95% CI 1.36-1.92) greater, respectively (all P<.001), in the 200-mg group than in the placebo group. Although lower in magnitude than the 200-mg group, the 150-mg group also had greater probabilities of meeting responder definitions than the placebo group for all subscales except sexual intercourse. The probabilities of meeting responder definitions for pain, control and powerlessness, self-image, social support, and emotional well-being were 75% (aRR 1.75, 95% CI 1.44-2.14), 50% (aRR 1.50, 95% CI 1.25-1.80), 22% (aRR 1.22, 95% CI 1.01-1.47), 30% (aRR 1.30, 95% CI 1.09-1.53), and 35% (aRR 1.35, 95% CI 1.16-1.57) greater, respectively (all P<.05), in the 150-mg group than in the placebo group.Conclusion: Patients with moderate to severe pain associated with endometriosis and were treated with elagolix experienced clinically meaningful HRQOL improvements.Clinical Trial Registration: ClinicalTrials.gov, NCT01620528 and NCT01931670.Funding Source: AbbVie Inc. [ABSTRACT FROM AUTHOR]

BACKGROUND: Drinking water contamination related to the use of aqueous film-forming foam (AFFF) has been documented at hundreds of military bases, airports, and firefighter training facilities. AFFF has historically contained high levels of long-chain per- and polyfluoroalkyl substances (PFAS), which pose serious health concerns. However, the composition and toxicity of legacy AFFF mixtures are unknown, presenting great uncertainties in risk assessment and affected communities. OBJECTIVES: This study aimed to determine the fluorinated and nonfluorinated chemical composition of a legacy AFFF sample and its toxicity in zebrafish embryos. METHODS: A sample of legacy AFFF (3% application formulation, manufactured before 2001) was provided by the Massachusetts Department of Environmental Protection. High resolution mass spectrometry (HRMS) was used to identify PFAS and nonfluorinated compounds, and a commercial laboratory measured 24 PFAS by a modified U.S. EPA Method 537.1. AFFF toxicity was assessed in zebrafish embryos in comparison with four major constituents: perfluorooctanesulfonic acid (PFOS); perfluorohexanesulfonic acid (PFHxS); sodium dodecyl sulfate (SDS); and sodium tetradecyl sulfate (TDS). End points included LC50 values, and sublethal effects on growth, yolk utilization, and pancreas and liver development. RESULTS: We identified more than 100 PFAS. Of the PFAS detected, PFOS was measured at the highest concentration (9,410 mg/L) followed by PFHxS (1,500 mg/L). Fourteen nonfluorinated compounds were identified with dodecyl sulfate and tetradecyl sulfate the most abundant at 547.8 and 496:4 mg/L, respectively. An LC50 of 7.41 × 10-4% AFFF was calculated, representing a dilution of the 3% formulation. TDS was the most toxic of the constituents tested but could not predict the AFFF phenotype in larval zebrafish. PFOS exposure recapitulated the reduction in length but could not predict effects on development of the liver, which was the tissue most sensitive to AFFF. DISCUSSION: To our knowledge, this research is the first characterization of the chemical composition and toxicity of legacy AFFF, which has important implications for regulatory toxicology. [ABSTRACT FROM AUTHOR]

Background: PIs cause drug-drug interactions (DDIs) with most statins due to inhibition of drug-metabolizing enzymes and/or the hepatic uptake transporter OATP1B1, which may alter the pharmacodynamic (PD) effect of statins.Objectives: To assess the management of DDIs between antiretrovirals (ARVs) and statins in people living with HIV (PLWH) considering statin plasma concentrations, compliance with dosing recommendations and achievement of lipid targets.Methods: PLWH of the Swiss HIV Cohort Study were eligible if they received a statin concomitantly with ARVs. HDL, total cholesterol (TC) and statin plasma concentration were measured during follow-up visits. Individual non-HDL and TC target values were set using the Framingham score and the 2018 European AIDS Clinical Society recommendations.Results: Data were analysed for rosuvastatin (n = 99), atorvastatin (n = 92), pravastatin (n = 46) and pitavastatin (n = 21). Rosuvastatin and atorvastatin underdosing frequently led to suboptimal PD response. Insufficient lipid control was observed with PIs despite high atorvastatin concentrations, likely explained by inhibition of OATP1B1 resulting in less statin uptake in the liver. Target lipid values were more often achieved with unboosted integrase inhibitors due to both their favourable DDI profiles and neutral effect on lipids. Insufficient lipid control was common with pravastatin and pitavastatin regardless of co-administered ARVs and despite using maximal recommended statin doses. The latter suggests lower efficacy compared with rosuvastatin or atorvastatin.Conclusions: Suboptimal management of DDIs with statin underdosing was observed in 29% of prescriptions. Integrase inhibitor-based regimens and/or treatment with rosuvastatin or atorvastatin should be favoured in patients with refractory dyslipidaemia. [ABSTRACT FROM AUTHOR]

Objective: To investigate the safety and efficacy of elagolix, an oral gonadotropin-releasing hormone antagonist, with hormonal add-back therapy for up to 12 months in women with heavy menstrual bleeding associated with uterine leiomyomas.Methods: Elaris UF-EXTEND was a phase 3 extension study that evaluated an additional 6 months (up to 12 months total) of elagolix 300 mg twice daily with hormonal add-back therapy (estradiol 1 mg and norethindrone acetate 0.5 mg once daily) in women who completed an initial 6 months of the same treatment in one of two preceding phase 3 studies. The primary endpoint was the percentage of women with both less than 80 mL menstrual blood loss during final month and a 50% or greater reduction in menstrual blood loss from baseline to final month. Safety evaluations included adverse events and bone mineral density changes. The planned sample size of UF-EXTEND was based on estimated rollover and discontinuation rates in the two preceding studies.Results: From September 2016 to March 2019, 433 women were enrolled in UF-EXTEND. Of these women, 218 received up to 12 months of elagolix with add-back therapy; the mean±SD age of this group was 42.4±5.4 years and 67.3% were black. The percentage of women who met the primary endpoint in this elagolix with add-back group was 87.9% (95% CI [83.4-92.3]). The most frequently reported adverse events with up to 12 months of elagolix plus add-back therapy were hot flush (6.9%), night sweats (3.2%), headache (5.5%), and nausea (4.1%). Mean percent decreases in bone mineral density from baseline to extension month 6 were significantly less with elagolix plus add-back therapy than with elagolix alone {between-group difference in lumbar spine: -3.3 (95% CI [-4.1 to -2.5])}.Conclusion: Up to 12 months of elagolix with add-back therapy provided sustained reduction in menstrual blood loss in women with uterine leiomyomas, with the addition of add-back therapy attenuating the hypoestrogenic effects of elagolix alone. No new or unexpected safety concerns were associated with an additional 6 months of elagolix with addback therapy.Clinical Trial Registration: ClinicalTrials.gov, NCT02925494.Funding Source: AbbVie Inc funded this study. [ABSTRACT FROM AUTHOR]

Diabetes triggers peripheral nerve alterations at a structural and functional level, collectively referred to as diabetic peripheral neuropathy (DPN). This work highlights the role of the liver X receptor (LXR) signaling pathway and the cross talk with the reactive oxygen species (ROS)-producing enzyme NADPH oxidase-4 (Nox4) in the pathogenesis of DPN. Using type 1 diabetic (T1DM) mouse models together with cultured Schwann cells (SCs) and skin biopsies from patients with type 2 diabetes (T2DM), we revealed the implication of LXR and Nox4 in the pathophysiology of DPN. T1DM animals exhibit neurophysiological defects and sensorimotor abnormalities paralleled by defective peripheral myelin gene expression. These alterations were concomitant with a significant reduction in LXR expression and increase in Nox4 expression and activity in SCs and peripheral nerves, which were further verified in skin biopsies of patients with T2DM. Moreover, targeted activation of LXR or specific inhibition of Nox4 in vivo and in vitro to attenuate diabetes-induced ROS production in SCs and peripheral nerves reverses functional alteration of the peripheral nerves and restores the homeostatic profiles of MPZ and PMP22. Taken together, our findings are the first to identify novel, key mediators in the pathogenesis of DPN and suggest that targeting LXR/Nox4 axis is a promising therapeutic approach. [ABSTRACT FROM AUTHOR]

Background: Uterine fibroids are hormone-responsive neoplasms that are associated with heavy menstrual bleeding. Elagolix, an oral gonadotropin-releasing hormone antagonist resulting in rapid, reversible suppression of ovarian sex hormones, may reduce fibroid-associated bleeding.Methods: We conducted two identical, double-blind, randomized, placebo-controlled, 6-month phase 3 trials (Elaris Uterine Fibroids 1 and 2 [UF-1 and UF-2]) to evaluate the efficacy and safety of elagolix at a dose of 300 mg twice daily with hormonal "add-back" therapy (to replace reduced levels of endogenous hormones; in this case, estradiol, 1 mg, and norethindrone acetate, 0.5 mg, once daily) in women with fibroid-associated bleeding. An elagolix-alone group was included to assess the impact of add-back therapy on the hypoestrogenic effects of elagolix. The primary end point was menstrual blood loss of less than 80 ml during the final month of treatment and at least a 50% reduction in menstrual blood loss from baseline to the final month; missing data were imputed with the use of multiple imputation.Results: A total of 412 women in UF-1 and 378 women in UF-2 underwent randomization, received elagolix or placebo, and were included in the analyses. Criteria for the primary end point were met in 68.5% of 206 women in UF-1 and in 76.5% of 189 women in UF-2 who received elagolix plus add-back therapy, as compared with 8.7% of 102 women and 10% of 94 women, respectively, who received placebo (P<0.001 for both trials). Among the women who received elagolix alone, the primary end point was met in 84.1% of 104 women in UF-1 and in 77% of 95 women in UF-2. Hot flushes (in both trials) and metrorrhagia (in UF-1) occurred significantly more commonly with elagolix plus add-back therapy than with placebo. Hypoestrogenic effects of elagolix, especially decreases in bone mineral density, were attenuated with add-back therapy.Conclusions: Elagolix with add-back therapy was effective in reducing heavy menstrual bleeding in women with uterine fibroids. (Funded by AbbVie; Elaris UF-1 and Elaris UF-2 ClinicalTrials.gov numbers, NCT02654054 and NCT02691494.). [ABSTRACT FROM AUTHOR]

Several lowest-lying singlet electronic states of vinyl fluoride, trans-, cis-, and 1,1-difluoroethylene, trifluoroethylene, and tetrafluoroethylene were investigated by using symmetry-adapted cluster configuration interaction theory. Basis sets up to Dunning’s aug-cc-pVTZ augmented with appropriate Rydberg functions were utilized for the calculations. Calculated excitation energies show a good agreement with the available experimental values. Even in the troublesome π→π* transitions, the excitation energies obtained in the present study agree well with the experimental values except in one or two fluoroethylenes. Strong mixing between different states was noticed in a few fluoroethylenes; especially the mixing is very strong between π-π* and π-3pπ states in trifluoroethylene. No pure π-σ* excited state was found in almost all the fluoroethylenes. Several assignments and reassignments of features in the experimental spectra were suggested. The present study does not support the existing argument that the interaction between the π-π* and σ-σ* states is the reason behind the blueshift of around 1.25 eV in the π-π* excitation energy of tetrafluoroethylene. Possible reasons, including structural changes, for this shift are discussed in detail. Several low-lying triplet excited states were also studied. [ABSTRACT FROM AUTHOR]

Guided by theoretical predictions, the rotational spectra of the mono- and bideuterated species of trans-1-chloro-2-fluoroethylene, CH35ClCDF, CH37ClCDF, CD35ClCHF, CD37ClCHF, CD35ClCDF, and CD37ClCDF, have been recorded for the first time. Assignment of the ΔJ=0 and ΔK-1= +1 bands with K-1=3,4,5,… (all isotopic species) as well as of several ΔJ= ±1 and ΔK-1= +1 transitions (all isotopic species except CH37ClCDF, CD37ClCHF, and CD37ClCDF) led to the accurate determination of the ground-state rotational constants, the quartic, and some sextic centrifugal distortion constants, as well as the nuclear quadrupole coupling constants for both 35Cl and 37Cl in good agreement with corresponding theoretical predictions based on high-level coupled-cluster calculations. Inconsistencies of the present spectroscopic parameters with respect to those reported earlier for the two main isotopologues, i.e., CH35ClCHF and CH37ClCHF, necessitated a reinvestigation of the rotational spectra for these two isotopic species. Supported by quantum chemical calculations, the previously recorded spectra are reassigned to a vibrationally excited state, while analysis of the ΔJ=0 and ΔK-1=+1 as well as some ΔJ=±1 and ΔK-1=+1 transitions provided a revised set of spectroscopic parameters for the vibrational ground state of these two isotopic species. [ABSTRACT FROM AUTHOR]

Rapid fluorescence quenching of S2-xanthione by 3,3-diethylpentane has been studied in three perfluorohydrocarbons of different viscosities. The donor fluorescence decay in the presence of a quencher was fitted using the Smoluchowski–Collins–Kimball (SCK) model. The molecular parameters, R (the sum of the molecular radii), D (the sum of diffusion coefficients), and the specific rate constant of the process, κ, were determined. The values of parameter D for all systems studied differed from the sum of the macroscopic diffusion coefficients Dx measured independently. This behavior is explained by the dependence of the molecular diffusion coefficient (as determined from the SCK model) on the distance traveled by the donor and quencher molecules during the excited donor lifetime. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Laser-induced fluorescence spectra reveal the internal energy distributions of SrF(X²Σ) formed in the reactions of electronically excited Sr(³P[sub 1]) with various unsaturated fluorohydrocarbons, i.e., CHF=CH[sub 2], CF[sub 2]=CH[sub 2], CHF=CHF, and C[sub 6]H[sub 5]F. The internal energy distribution of the ground state diatomic product typically shows less vibrational excitation, without inversion, and somewhat lower rotational excitation than the reactions of Sr(³P[sub 1]) with HF and saturated hydrocarbons. The different behavior of the two groups of reactants is rationalized by a simple MO picture, assuming that an electron from Sr is transferred to a σ[sup *] orbital in HF and the saturated fluorohydrocarbons and to a π[sup *] orbital in the unsaturated fluorohydrocarbons with a subsequent transfer to a σ[sup *] orbital of the C-F bond. The latter transfer constitutes an extension of the reaction path, leading to less vibrational excitation. This would explain why the energy disposal in the reaction with C[sub 6]H[sub 5]F behaves similar to that in the reactions with the fluoroethenes. Even if the shape of the vibrational distribution of the SrF product is the same for all unsaturated fluorohydrocarbons studied, the degree of vibrational excitation varies strongly. This even holds when comparing cis- and transCHF=CHF, where the distributions can be characterized by distinct surprisal parameters. [ABSTRACT FROM AUTHOR]

Hydrogels are commonly used for the delivery of bioactive molecules, especially growth factors and cytokines capable of stimulating tissue regeneration. Regenerative processes are regulated by the concentrations and spatiotemporal presentations of these molecules. With conventional hydrogels, these critical delivery parameters cannot be actively modulated after implantation. We have developed composite hydrogel scaffolds where payload release is non-invasively modulated, in an on-demand manner, using ultrasound (US). These acoustically-responsive scaffolds (ARSs) consist of a fibrin matrix doped with a payload-carrying, perfluorocarbon (PFC) double emulsion. Previously, acoustic droplet vaporization (ADV) was used to trigger release of a pro-angiogenic growth factor, encapsulated in the ARS, which stimulated blood vessel formation in vivo. In the present study, we assess how characteristics of the monodispersed emulsion, fibrin matrix, and US impact ADV thresholds and the release efficiency of a dextran payload. ADV thresholds increased with the molecular weight of the PFC in the emulsion and inversely with the volume fraction of emulsion in the ARS. Payload release from ARSs with perfluoroheptane (C7) or perfluorooctane (C8) emulsions was dependent on the number of z-planes of US used to generate ADV and inversely dependent on the lateral spacing. Conversely, release from ARSs with perfluoropentane (C5) or perfluorohexane (C6) emulsions was less dependent on these US exposure parameters. After ADV, payload diffusion decreased significantly in ARSs with C5 or C6 emulsions compared with ARSs with C7 or C8 emulsions. The expansion of the ARS after ADV decreased with the molecular weight of the PFC. Non-selective release increased with the molecular weight of the PFC and thrombin concentration. Overall, these findings can be used for optimization of ARS properties and US parameters in future therapeutic applications. [ABSTRACT FROM AUTHOR]

The incidence and spatial distribution of polycyclic aromatic hydrocarbons (PAHs) in the Buffalo River Estuary in the Eastern Cape Province of South Africa were assessed in this study. A total of 60 surface water and 19 sediment samples were collected from 5 sites of the estuary over a period of 6 months (December 2015 to May 2016). Extraction of PAHs from the water and sediment samples was achieved by using liquid–liquid and soxhlet extraction methods respectively, followed by column clean up with silica gel and quantification by gas chromatography–flame ionization detection. Individual PAH levels in the water and sediment samples ranged from not detected (ND) to 24.91 μg/L and ND to 7792 μg/kg, respectively. Total concentrations of the PAHs in the water and sediment samples varied as 14.91–206 μg/L and 1107–22,310 μg/kg in that order. Total levels of the contaminants were above the target values in the two matrices and were higher in summer than autumn. Although the noncarcinogenic risk of PAHs estimated in the water column through dermal absorption was very low compared with the target value, the carcinogenic risk determined was high for both adults and children. Similarly, benzo(a)pyrene and dibenzo(a,h)anthracene were found to be of higher carcinogenic and mutagenic risks in the sediments collected from the study area. Diagnostic ratios suggest that the target hydrocarbons are predominantly from pyrolytic sources. It therefore could be inferred that the water body is conspicuously polluted; hence, efforts should be made to control all the activities contributing to such magnitude of pollution at the sites. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Hydrodeoxygenation of rubber seed oil over sonochemically synthesized Ni-Mo/γ-Al 2 O 3 catalyst. • Effect of sonochemical synthesis on generation of Mo4+ and Mo6+ active sites. • Comparative study on conventional and sonochemically synthesized catalysts. • Proposed reaction mechanism over a sonochemically synthesized catalyst. • Coke analysis over sonochemically synthesized Ni-Mo/γ-Al 2 O 3 catalyst. Abstract Hydrodeoxygenation is one of the promising technologies for the transformation of triglycerides into long-chain hydrocarbon fuel commonly known as green diesel. The hydrodeoxygenation (HDO) of rubber seed oil into diesel range (C 15 –C 18) hydrocarbon over non-sulphided bimetallic (Ni-Mo/γ-Al 2 O 3 solid catalysts were studied. The catalysts were synthesized via wet impregnation method as well as sonochemical method. The synthesized catalysts were subjected to characterization methods including FESEM coupled with EDX, XRD, BET, TEM, XPS, NH 3 -TPD, CO-chemisorption and H 2 -TPR in order to investigate the effects of ultrasound irradiations on physicochemical properties of the catalyst. All the catalysts were tested for HDO reaction at 350 °C, 35 bar, H 2 /oil 1000 N (cm3/cm3) and WHSV = 1 h−1 in fixed bed tubular reactor. The catalyst prepared via sonochemical method showed comparatively higher specific surface area, particles in nano-size and uniform distribution of particle on the external surface of the support, higher crystallinity and lower reduction temperature as well as higher concentration of Mo4+ deoxygenating metal species. These physicochemical properties improved the catalytic activity compared to conventionally synthesized catalyst for HDO of rubber seed oil. The catalytic performance of sonochemically synthesized Ni-Mo/γ-Al 2 O 3 catalyst (80.87%) was higher than the catalyst prepared via wet impregnation method (63.3%). The sonochemically synthesized Ni-Mo/γ-Al 2 O 3 catalyst is found to be active, produces 80.87 wt% of diesel range hydrocarbons, and it gives high selectivity for Pentadecane (18.7 wt%), Hexadecane (16.65 wt%), Heptadecane (24.45 wt%) and Octadecane (21.0 wt%). The product distribution revealed that the deoxygenation reaction pathway was preferred. Higher conversion and higher HDO yield in this study are associated mainly with the change in concentration ratio between oxidation states of molybdenum (Mo4+, Mo5+, and Mo6+) on the external surface of the catalyst due to ultrasound irradiation during the synthesis process. Consequently, the application of sonochemically synthesized non-sulphided catalysts favored mainly hydrodeoxygenation of diesel range hydrocarbon. [ABSTRACT FROM AUTHOR]

Ecological wastewater treatment plant (EWWTP), a kind of emerging wastewater treatment plant (WWTP) in recent years, combined microbiology with botany which is efficient for the removal of nitrogen and organic matter, as well as deodorization. The occurrence and removal of micro-organic pollutants in EWWTPs were still not well known. Polycyclic aromatic hydrocarbons (PAHs) and their typical derivatives (SPAHs) including the oxygenated PAHs (OPAHs), chlorinated PAHs (ClPAHs), and methyl PAHs (MPAHs) were investigated in an EWWTP in Guangdong Province, China. The concentrations of the Σ6 OPAHs (114-384 ng/L) were higher than the Σ16 PAHs (92-250 ng/L), and much higher than the Σ4 MPAHs (13-64 ng/L) and Σ9 ClPAHs (2-3 ng/L) in the EWWTP and the effluent receiving river. The total removal efficiencies of the PAHs, OPAHs, MPAHs, and ClPAHs in the EWWTP (43 ± 14%, 41 ± 7%, 55 ± 16%, and 18 ± 4%) were lower than the traditional WWTPs, probably due to the lower concentration of the sludge in the ecological treatment. The advanced treatment process (microfiltration and UV disinfection treatment) contributed much less (0-20%) to the whole removal efficiency than the ecological treatment (80-100%). The effluent from the EWWTP slightly reduced the PAHs and SPAHs concentrations in the receiving river. The high concentrations of the PAHs and SPAHs in the receiving river were similar to the influent of the EWWTP, indicating that some untreated wastewater was directly discharged to the river, especially in the upstream. [ABSTRACT FROM AUTHOR]

Polycyclic aromatic hydrocarbons (PAHs) are a group of organic compounds with a structure consisting of carbon and hydrogen atoms that have more than two fused aromatic rings. Most PAHs have carcinogenic effects on animal or humans and induce various cancers. Polycyclic aromatic hydrocarbons are a consequence of environmental pollutants, imperfect burning or pyrolysis of organic substances during industrial processing. Additionally, foods can be contaminated during their processing and preparation through different heat treatments. This review highlights the formation, occurrence and health impacts of PAHs in milk and milk products, and analytical technique used for their determination in dairy products. [ABSTRACT FROM AUTHOR]

Abstract Rational design and synthesis of advanced electrode materials are considered essential for realizing high-performance lithium-ion batteries for the fast-growing electric vehicle and energy storage applications. Herein, a novel and robust core-shell structured ZnO-based composite (denoted as ZnO@C) is prepared via the controlled growth of zeolitic imidazolate frameworks (ZIF–8) on the surface of ZnO nanoparticles followed by thermal treatment under nitrogen atmosphere, and is utilized as a lithium-ion battery anode. The microstructural characterization of the ZnO@C composite reveals that ZnO particles are well-embedded within a highly conductive nitrogen-doped carbon nanolayer. The obtained ZnO@C composite exhibits a high specific capacity of 798 mA h g−1 with an initial charge/discharge efficiency of 81%, good long-term cyclability of over 300 cycles at a high current density of 1 A g−1, and enhanced rate capability up to 2 A g−1 with a LiF-rich solid electrolyte interphase (SEI) formed in the presence of the fluoroethylene carbonate additive. These results suggest that the combination of the multifunctional ZIF–8-derived carbon coating and the use of electrolyte additive as a SEI modifier significantly improves the lithium storage performance of high-capacity metal oxide anodes. Graphical abstract Image 1 Highlights • ZnO@C composite was synthesized via growth and thermal decomposition of ZIF–8. • ZIF–8-derived carbon coating leads to volume-change mitigation and high conductivity. • LiF-rich SEI film formed by FEC provides enhanced interfacial/structural stability. • This composite demonstrates better lithium storage performance than pure ZnO. [ABSTRACT FROM AUTHOR]

Background: Serotonin 5-HT2A receptor antagonists and 5-HT2C receptor agonists have been proposed as important candidates for the development of pharmacotherapies for psychostimulant abuse, with evidence suggesting that those receptors may act together to control behavior. However, the role of 5-HT2A receptors on the reinforcing effects of psychostimulant drugs has not been fully elucidated.Methods: In the present study, we investigated the effects of the selective 5HT2A receptor antagonist M100907 alone or in combination with the selective 5HT2C agonist WAY 163909 on intravenous methamphetamine self-administration in rhesus macaques (N = 3). Methamphetamine self-administration (0.01-0.03 mg/kg/inf) was evaluated under a fixed-ratio 20-schedule of reinforcement, and acute pretreatments were conducted 1 h (M100907) or 45 min (WAY 163,909) prior to the beginning of self-administration sessions at the EDMax dose of methamphetamine once stability criteria were met.Results: Pretreatment with M100907 (0.03-0.3 mg/kg, i.m.) dose-dependently attenuated methamphetamine self-administration, with the highest dose significantly decreasing response rates compared to vehicle. Combined administration of ineffective doses of M100907 and WAY 163,909 had no effects on methamphetamine self-administration.Conclusions: Our study indicates that acute selective 5-HT2A receptor blockade decreases peak methamphetamine intake in nonhuman primates. Combination approaches with sub-threshold doses of 5-HT2A receptor antagonists and 5-HT2C receptor agonists, on the other hand, do not seem to be effective in decreasing methamphetamine reinforcement. Further studies are needed in order to investigate the effects of chronic treatments with M100 on complete METH SA dose-response curves. [ABSTRACT FROM AUTHOR]

A correction to the article " Drinking water contamination from perfluoroalkyl substances (PFAS): an ecological mortality study in the Veneto Region, Italy," published in February 2018 is presented.

We have developed a reactive ion etch (RIE) process in borophosphosilicate glass (BPSG) for 150 nm line-and-space features, where line-edge roughness (LER) complemented with RIE lag becomes a major issue. Effect of flow rates and carbon-to-fluorine atomic ratio of fluorohydrocarbon gases was utilized to achieve acceptable process window allowing lower radio frequency powers therefore obtaining acceptable LER and RIE lag in the high-resolution features etched into BPSG. [ABSTRACT FROM AUTHOR]

We examined the accumulation of polycyclic aromatic hydrocarbons (PAHs), alkyl PAHs, and toxic metals in soils by the roots of Echinacea purpurea (L.) Moench, in a 20-week greenhouse study and a 2-year field study. In the greenhouse study, inoculation by arbuscular mycorrhizal fungus (AMF), Rhizoglomus intraradices (N.C. Schenck & G.S. Sm.). increased the first order accumulation rates (k1) for PAHs by 10-fold, though had no effect on the bioaccumulation rates of toxic metals. In the greenhouse study, PAHs concentrations in soil increased over time with AMF inoculation, suggesting AMF promote ‘solvent depletion’ in soils by enhancing absorption of minerals and carbon by roots, concentrating the more hydrophobic PAHs in the residual soil. Under field conditions, contaminant concentrations in soils remained unchanged over the 2-year duration of the study. Despite this, all contaminants in E. purpurea roots increased significantly, as a result of a long term extraction of contaminants by plants from soil and a reduction in soil volume as a result of plant growth. First order accumulation rates by roots were inversely correlated to log Kow for the PAHs and alkyl PAHs, indicating that accumulation is inversely related to the compound’s hydrophobicity. This study is the first to our knowledge to assess the accumulation of alkyl PAHs by roots, with implications for soil bioremediation by plants because alkyl PAHs are a major source of petrogenic contamination in soils. [ABSTRACT FROM AUTHOR]

Purpose: Tumor hypoxia contributes to radiation resistance. A noninvasive assessment of tumor hypoxia would be valuable for prognostication and possibly selection for hypoxia-targeted therapies. 18F-pentafluorinated etanidazole (18F-EF5) is a nitroimidazole derivative that has demonstrated promise as a positron emission tomography (PET) hypoxia imaging agent in preclinical and clinical studies. However, correlation of imageable hypoxia by 18F-EF5 PET with clinical outcomes after radiation therapy remains limited.Methods and Materials: Our study prospectively enrolled 28 patients undergoing radiation therapy for localized lung or other tumors to receive pretreatment 18F-EF5 PET imaging. Depending on the level of 18F-EF5 tumor uptake, patients underwent functional manipulation of tumor oxygenation with either carbogen breathing or oral dichloroacetate followed by repeated 18F-EF5 PET. The hypoxic subvolume of tumor was defined as the proportion of tumor voxels exhibiting higher 18F-EF5 uptake than the 95th percentile of 18F-EF5 uptake in the blood pool. Tumors with a hypoxic subvolume ≥ 10% on baseline 18F-EF5 PET imaging were classified as hypoxic by imaging. A Cox model was used to assess the correlation between imageable hypoxia and clinical outcomes after treatment.Results: At baseline, imageable hypoxia was demonstrated in 43% of all patients (12 of 28), including 6 of 16 patients with early-stage non-small cell lung cancer treated with stereotactic ablative radiation therapy and 6 of 12 patients with other cancers. Carbogen breathing was significantly associated with decreased imageable hypoxia, while dichloroacetate did not result in a significant change under our protocol conditions. Tumors with imageable hypoxia had a higher incidence of local recurrence at 12 months (30%) than those without (0%) (P < .01).Conclusions: Noninvasive hypoxia imaging by 18F-EF5 PET identified imageable hypoxia in about 40% of tumors in our study population. Local tumor recurrence after highly conformal radiation therapy was higher in tumors with imageable hypoxia. [ABSTRACT FROM AUTHOR]

Introduction: Elagolix is a novel, orally active, non-peptide, competitive gonadotropin-releasing hormone (GnRH) receptor antagonist in development for the management of endometriosis with associated pain and heavy menstrual bleeding due to uterine fibroids. The pharmacokinetics of elagolix have been well-characterized in phase I studies; however, elagolix population pharmacokinetics have not been previously reported. Therefore, a robust model was developed to describe elagolix population pharmacokinetics and to evaluate factors affecting elagolix pharmacokinetic parameters.Methods: The data from nine clinical studies (a total of 1624 women) were included in the analysis: five phase I studies in healthy, premenopausal women and four phase III studies in premenopausal women with endometriosis.Results: Elagolix population pharmacokinetics were best described by a two-compartment model with a lag time in absorption. Of the 15 covariates tested for effect on elagolix apparent clearance (CL/F) and/or volume of distribution only one covariate, organic anion transporting polypeptide (OATP) 1B1 genotype status, had a statistically significant, but not clinically meaningful, effect on elagolix CL/F.Conclusion: Elagolix pharmacokinetics were not affected by patient demographics and were similar between healthy women and women with endometriosis. Clinical Trial Registration Numbers NCT01403038, NCT01620528, NCT01760954, NCT01931670, NCT02143713. [ABSTRACT FROM AUTHOR]

With mutagenic and cacogenic potential polycyclic aromatic hydrocarbons (PAHs) generated from engine source which have contributed to a substantial share of air toxic, so in order to characterize and eliminate the PAHs emissions of commercial engine fuelled, an experimental study has been carried out on a V6 gasoline engine working in spark-ignition (SI) and homogeneous charge compression ignition (HCCI) equipped with smart three-way catalyst converter (TWC). The particle phase and gas phase of PAH S in engine exhaust, downstream and upstream the catalyst were collected by stainless-steel cartridges containing XAD-2 resin to capture PAHs species. The vapour phase and particulate bound PAHs compounds observed with two and three rings to exist almost entirely in the gas phase, on the other hands, five or more fused rings are predominantly adsorbed on soot particles, the intermediate – 4 ring PAH S exist in the two PAH S phases, naphthalene is the most abundant polycyclic aromatic hydrocarbon that was detected in the exhaust vapour-phase on both engine modes. The prototype catalytic converter eliminates most of the polycyclic aromatic hydrocarbons species in both PAH S phases, particle phase and gas phase, except for NAP species. A prototype catalyst showed higher efficient conversion on PAH S particulate-bound phase than vapor phase for both engine modes. However, when hydrogen was added upstream of the catalyst, the catalyst conversion efficiency in reducing naphthalene was increased by approximately 20%. [ABSTRACT FROM AUTHOR]

Although many putative heme transporters have been discovered, it has been challenging to prove that these proteins are directly involved with heme trafficking in vivo and to identify their heme binding domains. The prokaryotic pathways for cytochrome c biogenesis, Systems I and II, transport heme from inside the cell to outside for stereochemical attachment to cytochrome c , making them excellent models to study heme trafficking. System I is composed of eight integral membrane proteins (CcmA–H) and is proposed to transport heme via CcmC to an external “WWD” domain for presentation to the membrane-tethered heme chaperone, CcmE. Herein, we develop a new cysteine/heme crosslinking approach to trap and map endogenous heme in CcmC (WWD domain) and CcmE (defining “2-vinyl” and “4-vinyl” pockets for heme). Crosslinking occurs when either of the two vinyl groups of heme localize near a thiol of an engineered cysteine residue. Double crosslinking, whereby both vinyls crosslink to two engineered cysteines, facilitated a more detailed structural mapping of the heme binding sites, including stereospecificity. Using heme crosslinking results, heme ligand identification, and genomic coevolution data, we model the structure of the CcmCDE complex, including the WWD heme binding domain. We conclude that CcmC trafficks heme via its WWD domain and propose the structural basis for stereochemical attachment of heme. [ABSTRACT FROM AUTHOR]

Abstract: The terminal‐selective, remote C(sp3)−H alkylation of alkenes was achieved by a relay process combining NiH‐catalyzed hydrometalation, chain walking, and alkylation. This method enables the construction of unfunctionalized C(sp3)−C(sp3) bonds under mild conditions from two simple feedstock chemicals, namely olefins and alkyl halides. The practical value of this transformation is further demonstrated by the large‐scale and regioconvergent alkylation of isomeric mixtures of olefins at low catalyst loadings. [ABSTRACT FROM AUTHOR]

Wrinkle patterns, as a simple surface patterning process, have been previously used in triboelectric nanogenerator (TENG) to improve electric performance. However, since lacking an effective way to control the wrinkle pattern in a wide range, the influence of wrinkle pattern to the performance of TENG has not been systematically investigated. This paper proposes a pre-heating process to adjust the modulus of uncured polydimethylsiloxane, resulting in wide-range controllable wrinkle patterns. Quantitative measurements show the wrinkle pattern wavelength ( \lambda ) could be varied from 20.13 to 0.92~\mu \text{m} by pre-heating time from 0 to 10 min. Using this wide-range wrinkle pattern, the performance of TENG was remarkably improved with a higher surface charge density of 537.6~\mu \text{C}/\text{m}^{2}$ . Through simulating the impact of interfacial structures deformation, we found smaller structure leading to higher performance of TENG at low pressure region and smaller surface area resulting in a lower performance, which accounted for the correlation we observed in this paper, and could guide the structure design for a high-charge-density TENG. This paper provides an alternative way for controlling wrinkle pattern as well as increasing surface charge density of TENG from fabrication process, simulated results, theoretical analysis, and quantitative measurements. [2017-0154] [ABSTRACT FROM PUBLISHER]

Background: Perfluoroalkyl substances (PFAS), a heterogeneous group of highly stable man-made chemicals, have been widely used since 1960s and can be detected almost ubiquitously in all environmental matrices. In Italy, on January 2014, drinking water contamination in an area of the Veneto Region was detected mainly due to the drain of fluorinated chemicals by a manufacturing company operating since 1964. Methods: The present ecological mortality study was aimed at comparing mortality for some causes of death selected on the basis of previous reported associations, during the period 1980--2013, in municipalities with PFAS contaminated and uncontaminated drinking water on the basis of the levels indicated by the Italian National Health Institute (ISS). Sex-specific number, standardized mortality rates and rate ratios (RR) for PFAS contaminated and uncontaminated areas were computed for each cause of death through the ENEA epidemiological database. Results: In both sexes, statistically significant RRs were detected for all causes mortality, diabetes, cerebrovascular diseases, myocardial infarction and Alzheimer's disease. In females, RRs significantly higher than 1.0 were also observed for kidney and breast cancer, and Parkinson's disease. Increased risk, although not statistically significant, was observed for bladder cancer in both sexes, and for testicular cancer, pancreatic cancer and leukemia in males only. Conclusions: Higher mortality levels for some causes of death, possibly associated with PFAS exposure, were detected in contaminated municipalities in comparison with uncontaminated ones with similar socioeconomic status and smoking habits. These results warrant further individual level analytic studies to delineate casual associations. [ABSTRACT FROM AUTHOR]

The analysis of material used in this study demonstrated that the amount of polycyclic aromatic hydrocarbons (PAHs) in smoked sprats varies from the level below the lowest detection limit in muscles up to 9.99 μg kg-1 of benzo[a]pyrene (BaP) in fish skin. Such a high level of PAHs in skin was reported only in one of six batches of sprats, while mean BaP level was at 1.69 μg kg-1. Regardless such a high BaP level in skin, its concentration in muscles did not exceed the maximum acceptable level. The study objective was to assess to what extent packaging materials adsorb PAH compounds from food. Changes in the PAH levels were monitored in fish during their storage in packages made of various materials. The storage time was from 0 to 168 hours. The obtained results varied considerably, therefore their scatter did not allow to confirm unequivocally the preliminary hypothesis about the reduction of PAHs due to their migration to packaging material. However, analysis of the packaging used in this study demonstrated a significant increase in the level of total 16 PAHs. When high-density polyethylene (HDPE) packaging was analysed, a six-fold increase in the total 16 PAHs was observed comparing to the blank sample. [ABSTRACT FROM AUTHOR]

The distribution, composition, and source of 16 polycyclic aromatic hydrocarbons (PAHs) in the Luan River, China, were investigated in this study. The compositional profiles of PAHs in the three mediums represented different characteristics. In different land-use areas, compositional profiles of PAHs in water were familiar, while that in sediment and bank soil presented differences. The spatial distribution of PAHs indicated that the most polluted sites all gathered in the middle and lower reaches of the region, which was different from other rivers in China. The PAH data of bank soilwere used for source identification. Both diagnostic ratios of selected PAHs and principal component analysis (PCA) with multiple linear regression (MLR) analysis were studied, suggesting mixed source of PAHs in the Luan River Basin. [ABSTRACT FROM AUTHOR]

Exposure to petrogenic polycyclic aromatic hydrocarbons (PPAHs) is the major human health hazard associated with the Deepwater Horizon oil spill. Alkylated phenanthrenes are the most abundant PPAHs present in the crude oil and could contaminate the food chain. We describe the metabolism of a C1-phenanthrene regioisomer 1-methylphenanthrene (1-MP) and a C2-phenanthrene regioisomer 9-ethylphenanthrene (9-EP) in human HepG2 cells. The structures of the metabolites were identified by HPLC-UV-fluorescence detection and LC-MS/MS. Side chain hydroxylation of 1-MP and 9-EP was observed as the major metabolic pathway. The formation of 1-(hydroxymethyl)-phenanthrene was confirmed by reference to an authentic synthetic standard. However, formation of the bioactivated sulfate was not detected. Tetraols were also identified as signature metabolites of 1-MP and 9-EP, indicating that metabolic activation occurred via the diol-epoxide pathway. O-Monosulfonated-catechols were discovered as signature metabolites of the o-quinone pathway of metabolic activation of 1-MP and 9-EP, respectively. The identification of O-monosulfonated-catechols supports the metabolic activation of 1-MP and 9-EP by P450 and AKR isozymes followed by metabolic detoxification of the o-quinone through interception of redox cycling by phase II isozymes. The signature metabolites identified could be used as biomarkers of human exposure to 1-MP and 9-EP resulting from oil spills. [ABSTRACT FROM AUTHOR]

The effect of the current block structure of the earth's crust and its most active sites (morphostructural nodes) on the natural hydrocarbon status of alluvial soils has been considered. Studies have been performed in the Istra district of Moscow oblast within the Istra morphostructural node. The node represents an area of increased geodynamic activity of the earth's crust located at the convergence or intersection of block boundaries: mobile linear zones following large river valleys with alluvial soils. Soil cover mainly consists of alluvial humic-gley soils (Eutric Gleyic Fluvisols) of different depths and alluvial mucky-gley soils (Eutric Gleyic Histic Fluvisols). Some soils manifest stratification. Two factors forming the hydrocarbon status of soils are considered: soil processes and the effect of geodynamic activity, which is manifested within the morphostructural node. The contents of bitumoids and retained methane and butanes in alluvial soils appreciably increase at the entry of river valley into the node. The occurrence frequency of 5-6-ring polycyclic aromatic hydrocarbons (perylene and benzo[ghi]perylene) in mineral horizons increases. It has been concluded that alluvial soils within the Istra morphostructural node are characterized by the biogeochemical type of hydrocarbon status with signs of emanation type at sites with the highest geodynamic activity. [ABSTRACT FROM AUTHOR]

At present, actual problem is to measure the flow of liquid and gaseous hydrocarbons without separation. One of the problems associated with the definition of the parameters of motion multiphase mixtures, is to determine the parameters flows liquid and gaseous hydrocarbons of multiphase flow for multiphase meters that make measurement without separation of the hydrocarbon mixture into individual phases and fractions. The use of such flow measuring devices can greatly simplify the process of measuring the flow of hydrocarbon mixture to make it more responsive (including the use for mobile multiphase flow and compact subsea devices) and more cost effective. The object of this study is multiphase flowmeter flow path and the processes occurring along the axis of the flowmeter. the Venturi tube, designed to measure the volumetric rate flowing therein medium using differential pressure, is considered as a measuring means. Based on the results of numerical solution of equations for steady turbulent flow of compressible multiphase flow the accuracy of measurement of pressure along the axis measuring part of the Venturi tube and the pressure unit is estimated, and also the flow of multiphase medium is considered. [ABSTRACT FROM AUTHOR]

ABSTRACT The importance of polymeric transportation systems has been steadily increasing over the years. It is a useful material in numerous applications, such as packaging, oil and gas pipes, and household items. One particular aspect of polyethylene (PE) is the permeability of small molecules, such as low-molecular-weight hydrocarbons. In the present study, PE sheets were crosslinked by grafting and subsequent hydrolysis of organosilanes during a reactive extrusion process. The formation of a network structure was characterized by sol/gel analysis and by rheological measurements. It is shown that as a result of crosslinking the permeation of linear alkanes through the PE is reduced. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45374. [ABSTRACT FROM AUTHOR]

Described herein is the synthesis of stable oxonium-doped polycyclic aromatic hydrocarbons (PAHs) by the rhodium-catalyzed C−H activation/annulations of naphthalene-type aldehydes with internal alkynes. This protocol provides four divergent reaction types, including two unexpected annulations with an oxygen transposition process, which lead to diverse types of phenalenyl-fused pyrylium cations comprising a four-, five-, or six-ring-fused π-conjugated core. The annulations exhibit an exquisite regioselectivity and a high tolerance of sensitive functional groups. These PAHs feature intriguing photophysical properties such as full-color tunable fluorescence emission, high quantum yield, and positively charged core, and can be reduced easily to the phenalenyl radicals. [ABSTRACT FROM AUTHOR]

The direct C−H trifluoromethylation of arenes catalyzed by graphene oxide (GO) under safe conditions is described. This strategy is metal-free, initiator-free, safe, and scalable. It employs a readily available CF3 source and the reaction can be easily controlled to obtain a mono-trifluorinated product. This method opens a new avenue for GO-catalyzed chemistry. [ABSTRACT FROM AUTHOR]

In the last 30 years, little experimental work has been reported on the critical properties of (halogenated hydrocarbon + hydrocarbon) mixtures. Furthermore, the overall amount of reported critical property data for these types of mixtures is quite small. This work aims to extended the existing data set and presents data on the critical temperatures of (i) 14 different chloroalkane (C3-C4) + hydrocarbon mixtures (C6-C7) as a function of mole fraction and (ii) 10 different aromatic halocarbons (chlorobenzene, fluorobenzene, 1,2-dichlorbenzene, or 1,3-dichlorobenzene) + alkanes (C8) as a function of mole fraction. All of the (gas + liquid) critical lines were continuous. Therefore, all mixtures displayed either Type I or Type II behavior. [ABSTRACT FROM AUTHOR]

New synthesis fluoro-tellurite in the form in [75TeO 2 –10ZnO–5LiF– (10 − γ ) Nb 2 O 5 – γ NaF] where γ = 0, 2, 4, 6, 8 and 10 mol% have been successfully synthesized by rapid melt-quenching technique. Also, the effect of doping the present prepared glasses by NaF on the optical properties has been discussed. Their densities were determined by Archimedes method. Values of the molar volume and the oxygen packing density were calculated. Both the Fourier-transform-infrared (FTIR) in the wavenumber range (350–4400 cm − 1 ) and the Raman spectroscopy in the range (40–4450 cm − 1 ) were used to prove the changes in the structure of the prepared glasses. The glass transition temperature (T g ), crystallization temperature (T c ) and melting temperature (T m ) were determined by using Differential Scanning Calorimetry (DSC) as a function of NaF (mol%) in the temperature range (298–923 K).Optical absorption spectra were recorded in the range (190–2500 nm). The indirect optical band gap (E opt ), Urbach energy (ΔE), refractive index (n), molar refraction (R m ), metallization criterion (M), electronic polarizability of the oxide ion (α o 2 ) and the optical basicity (Λ) of the prepared glasses were calculated. [ABSTRACT FROM AUTHOR]

Waste newspaper (WP) was first co-pyrolyzed with high-density polyethylene (HDPE) using pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) to enhance the yields of alcohols and hydrocarbons. The effects of WP: HDPE feed ratio (100:0, 75:25, 50:50, 25:75, 0:100) and temperature (500–800 °C) on products distribution were investigated and the interaction mechanism during co-pyrolysis was also proposed. Maximum yields of alcohols and hydrocarbons reached 85.88% (feed ratio 50:50 wt.%, 600 °C). Hydrogen supplements and deoxidation by HDPE and subsequently fragments recombination result in the conversion of aldehydes and ketones into branched hydrocarbons. Radicals from WP degradation favor the secondary crack for HDPE products resulting in the formation of linear hydrocarbons with low carbon number. Hydrocarbons with activated radical site from HDPE degradation were interacted with hydroxyl from WP degradation promoting the formation of linear long chain alcohols. Moreover, co-pyrolysis significantly enhanced condensable oil qualities, which were close to commercial diesel No. 0. [ABSTRACT FROM AUTHOR]