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https://www.readbyqxmd.com/read/28918607/modeling-the-ph-and-temperature-dependence-of-aqueousphase-hydroxyl-radical-reaction-rate-constants-of-organic-micropollutants-using-qspr-approach
#1
Shikha Gupta, Nikita Basant
Designing of advanced oxidation process (AOP) requires knowledge of the aqueous phase hydroxyl radical ((●)OH) reactions rate constants (k OH), which are strictly dependent upon the pH and temperature of the medium. In this study, pH- and temperature-dependent quantitative structure-property relationship (QSPR) models based on the decision tree boost (DTB) approach were developed for the prediction of k OH of diverse organic contaminants following the OECD guidelines. Experimental datasets (n = 958) pertaining to the k OH values of aqueous phase reactions at different pH (n = 470; 1...
September 16, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28918590/the-role-of-diet-in-shaping-the-chemical-signal-design-of-lacertid-lizards
#2
Simon Baeckens, Roberto García-Roa, José Martín, Raoul Van Damme
Lizards communicate with others via chemical signals, the composition of which may vary among species. Although the selective pressures and constraints affecting chemical signal diversity at the species level remain poorly understood, the possible role of diet has been largely neglected. The chemical signals of many lizards originate from the femoral glands that exude a mixture of semiochemicals, and may be used in a variety of contexts. We analyzed the lipophilic fraction of the glandular secretions of 45 species of lacertid lizard species by gas chromatography/mass spectrometry...
September 16, 2017: Journal of Chemical Ecology
https://www.readbyqxmd.com/read/28918495/the-stingless-bee-melipona-solani-deposits-a-signature-mixture-and-methyl-oleate-to-mark-valuable-food-sources
#3
David Alavez-Rosas, Edi A Malo, Miguel A Guzmán, Daniel Sánchez-Guillén, Rogel Villanueva-Gutiérrez, Leopoldo Cruz-López
Stingless bees foraging for food improve recruitment by depositing chemical cues on valuable food sites or pheromone marks on vegetation. Using gas chromatography/mass spectrometry and bioassays, we showed that Melipona solani foragers leave a mixture composed mostly of long chain hydrocarbons from their abdominal cuticle plus methyl oleate from the labial gland as a scent mark on rich food sites. The composition of hydrocarbons was highly variable among individuals and varied in proportions, depending on the body part...
September 16, 2017: Journal of Chemical Ecology
https://www.readbyqxmd.com/read/28918077/membrane-electro-oxidizer-a-new-hybrid-membrane-system-with-electrochemical-oxidation-for-enhanced-organics-and-fouling-control
#4
Naresh Mameda, Hyung-June Park, Kwang-Ho Choo
The synergistic combination of membrane filtration with advanced oxidation is of particular interest for next-generation wastewater treatment technologies. A membrane electro-oxidizer (MEO) hybridizing a submerged microfilter and an electrochemical cell was developed and investigated for tertiary treatment of secondary industrial (textile) wastewater effluent. Laboratory- and pilot-scale MEO systems were designed and evaluated for treatment efficiency and membrane fouling control. The MEO achieved substantial removal of color (50-90%), turbidity (>90%), and bacteria (>4 log) as well as chemical oxygen demand (13-31%) and 1,4-dioxane (∼25-53%)...
September 5, 2017: Water Research
https://www.readbyqxmd.com/read/28917987/development-and-characterisation-of-electrospun-timolol-maleate-loaded-polymeric-contact-lens-coatings-containing-various-permeation-enhancers
#5
Prina Mehta, Ali Al-Kinani, Muhammad Sohail Arshad, Ming-Wei Chang, Raid G Alany, Zeeshan Ahmad
Despite exponential growth in research relating to sustained and controlled ocular drug delivery; anatomical and chemical barriers of the eye still pose formulation challenges. Nanotechnology integration into the pharmaceutical industry has aided efforts in potential ocular drug device development. Here, the integration and in vitro effect of four different permeation enhancers (PEs) on the release of anti-glaucoma drug timolol maleate (TM) from polymeric nanofiber formulations is explored. Electrohydrodynamic (EHD) engineering, more specifically electrospinning, was used to engineer nanofibers (NFs) which coated the exterior of contact lenses...
September 13, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28917891/pickering-emulsifiers-based-on-hydrophobically-modified-small-granular-starches-part-i-manufacturing-and-physico-chemical-characterization
#6
A Marefati, B Wiege, N U Haase, M Matos, M Rayner
Small granular starches from rice, quinoa and amaranth were hydrophobized by esterification with octenyl succinic anhydride (OSA) in an aqueous alkaline slurry to obtain series of modified starches at defined intervals (i.e. 0.6, 1.2, 1.8, 2.4, 3.0%). The physical and the physico-chemical properties of the starch particles were characterized by proximate analysis including protein level, amylose level and dry matter. The shape and size of the starch granules were characterized by scanning electron microscopy and light scattering...
November 1, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28917731/chain-length-dependent-interfacial-immunoreaction-kinetics-on-self-assembled-monolayers-revealed-by-surface-enhanced-infrared-absorption-spectroscopy
#7
Wen-Jing Bao, Jian Li, Tian-Yuan Cao, Jin Li, Xing-Hua Xia
Self-assembled monolayer (SAM) has been extensively applied as ideal interface layer for construction of biosensors. Its chain length and end functional groups determine the physical and chemical properties of the modified surfaces, which will affect the performance of constructed biosensors. Herein, we studied the influence of chain length of n-alkanethiols SAMs on the immunoreaction kinetics employing attenuated total reflection surface-enhanced infrared absorption spectroscopy (ATR-SEIRAS). Antibody (rabbit immunoglobulin) is assembled on carboxyl terminated SAMs of n-alkanethiols with different chain lengths (n = 3, 6, 11, 16)...
January 1, 2018: Talanta
https://www.readbyqxmd.com/read/28917532/effects-of-tumor-microenvironments-on-targeted-delivery-of-glycol-chitosan-nanoparticles
#8
Ji Young Yhee, Sangmin Jeon, Hong Yeol Yoon, Man Kyu Shim, Hyewon Ko, Jiwoong Min, Jin Hee Na, Hyeyoun Chang, Hyounkoo Han, Jong-Ho Kim, Minah Suh, Hyukjin Lee, Jae Hyung Park, Kwangmeyung Kim, Ick Chan Kwon
In cancer theranostics, the main strategy of nanoparticle-based targeted delivery system has been understood by enhanced permeability and retention (EPR) effect of macromolecules. Studies on diverse nanoparticles provide a better understanding of different EPR effects depending on their structure, physicochemical properties, and chemical modifications. Recently the tumor microenvironment has been considered as another important factor for determining tumor-targeted delivery of nanoparticles, but the correlation between EPR effects and tumor microenvironment has not yet been fully elucidated...
September 13, 2017: Journal of Controlled Release: Official Journal of the Controlled Release Society
https://www.readbyqxmd.com/read/28917309/toxic-action-of-acmella-oleracea-extract-on-the-male-reproductive-system-of-amblyomma-cajennense-ticks
#9
Luís Adriano Anholeto, Patrícia Rosa de Oliveira, Rodney Alexandre Ferreira Rodrigues, Lais Thiemi Yamane, Karina Neoob de Carvalho Castro, Allan Roberto Fernandes Ferreira, Maria Izabel Camargo-Mathias
The present study evaluated through morphohistological and histochemical techniques the effects of different concentrations of crude ethanolic extract of A. oleracea (EEAO) (Jambu) on the male reproductive system of Amblyomma cajennense sensu stricto (s.s.) ticks. The toxicity of this natural chemical was stablished, signalizing the promising potential of the compound as a strategy to control ectoparasites in the near future. For the experiment, 100 males fed on host rabbits with homogeneous weight (p>0...
September 15, 2017: Veterinary Parasitology
https://www.readbyqxmd.com/read/28917184/investigation-of-the-chemical-mechanisms-involved-in-the-electropulsation-of-membranes-at-the-molecular-level
#10
Marie Breton, Lluis M Mir
The chemical consequences of electropulsation on giant unilamellar vesicles (GUVs), in particular the possible oxidation of unsaturated phospholipids, have been investigated by mass spectrometry, flow cytometry and absorbance methods. Pulse application induced oxidation of the GUV phospholipids and the oxidation level depended on the duration of the pulse. Light and O2 increased the level of pulse-induced lipid peroxidation whereas the presence of antioxidants either in the membrane or in the solution completely suppressed peroxidation...
September 11, 2017: Bioelectrochemistry
https://www.readbyqxmd.com/read/28917163/raman-and-fourier-transform-infrared-spectroscopic-study-of-pyromorphite-vanadinite-solid-solutions
#11
Urszula Solecka, Tomasz Bajda, Justyna Topolska, Sylwia Zelek-Pogudz, Maciej Manecki
Due to the great range of the application fields for apatites, there is a strong need to complete the data set determining the properties of these minerals. In this study, Raman and Infrared spectra of the phases from pyromorphite Pb5(PO4)3Cl - vanadinite Pb5(VO4)3Cl series were investigated. Totally, 9 samples (2 end-members and 7 solid solutions of the series) were synthesized at 25°C and pH=3.5, and analyzed. In the Raman and Infrared spectra of the studied Pb-apatites, the bands typical for the vibrations in the PO4 and the VO4 tetrahedra appeared...
August 26, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28916914/the-effects-of-protein-and-fiber-content-on-gut-structure-and-function-in-zebrafish-danio-rerio
#12
Samantha C Leigh, Bao-Quang Nguyen-Phuc, Donovan P German
Chemical reactor theory (CRT) suggests that the digestive tract functions as a chemical reactor for processing food. Presumably, gut structure and function should match diet to ensure adequate nutrient and energy uptake to maintain performance. Within CRT, dietary biochemical composition is the most important factor affecting gut structure and function in vertebrates. We fed Danio rerio (zebrafish) diets ranging from high- to moderate- to low-quality (i.e., ranging from high-protein, low-fiber to low-protein, high-fiber), and observed how gut length and surface area, as well as the activity levels of digestive enzymes (amylase, maltase, trypsin, aminopeptidase, and lipase) shifted in response to these dietary changes...
September 15, 2017: Journal of Comparative Physiology. B, Biochemical, Systemic, and Environmental Physiology
https://www.readbyqxmd.com/read/28916319/inhibition-of-growth-and-biofilm-formation-of-clinical-bacterial-isolates-by-nio-nanoparticles-synthesized-from-eucalyptus-globulus-plants
#13
Samia Saleem, Bilal Ahmed, Mohammad Saghir Khan, Majed Al-Shaeri, Javed Musarrat
Nanotechnology based therapeutics has emerged as a promising approach for augmenting the activity of existing antimicrobials due to the unique physical and chemical properties of nanoparticles (NPs). Nickel oxide nanoparticles (NiO-NPs) have been suggested as prospective antibacterial and antitumor agent. In this study, NiO-NPs have been synthesized by a green approach using Eucalyptus globulus leaf extract and assessed for their bactericidal activity. The morphology and purity of synthesized NiO-NPs determined through various spectroscopic techniques like UV-Visible, FT-IR, XRD, EDX and electron microscopy differed considerably...
September 12, 2017: Microbial Pathogenesis
https://www.readbyqxmd.com/read/28916191/%C3%AE-the-hydro-alcoholic-extracts-of-sardinian-wild-thistles-onopordum-spp-inhibit-tnf%C3%AE-induced-il-8-secretion-and-nf-%C3%AE%C2%BAb-pathway-in-human-gastric-epithelial-ags-cells
#14
Arianna Marengo, Marco Fumagalli, Cinzia Sanna, Andrea Maxia, Stefano Piazza, Cecilia Cagliero, Patrizia Rubiolo, Enrico Sangiovanni, Mario Dell'Agli
ETHNOPHARMACOLOGICAL RELEVANCE: Thistles species (Family: Compositae) are traditionally used in the Mediterranean area, particularly in Sardinia. They are usually gathered from the wild and used for both food and therapeutic purposes, including gastrointestinal disorders. AIM OF THE STUDY: This work aims to evaluate the anti-inflammatory activity of eight wild thistles from Sardinia, in an in vitro model of gastric inflammation, and to identify the major active compounds in the extracts...
September 12, 2017: Journal of Ethnopharmacology
https://www.readbyqxmd.com/read/28915803/tartrate-resistant-acid-phosphatase-trap-acp5-promotes-metastasis-related-properties-via-tgf%C3%AE-2-t%C3%AE-r-and-cd44-in-mda-mb-231-breast-cancer-cells
#15
Anja Reithmeier, Elena Panizza, Michael Krumpel, Lukas M Orre, Rui M M Branca, Janne Lehtiö, Barbro Ek-Rylander, Göran Andersson
BACKGROUND: Tartrate-resistant acid phosphatase (TRAP/ACP5), a metalloenzyme that is characteristic for its expression in activated osteoclasts and in macrophages, has recently gained considerable focus as a driver of metastasis and was associated with clinically relevant parameters of cancer progression and cancer aggressiveness. METHODS: MDA-MB-231 breast cancer cells with different TRAP expression levels (overexpression and knockdown) were generated and characterized for protein expression and activity levels...
September 15, 2017: BMC Cancer
https://www.readbyqxmd.com/read/28915446/embracing-chemical-and-structural-diversity-with-uconga-a-universal-conformer-generation-and-analysis-program
#16
Nathaniel R Gunby, Sarah L Masters, Deborah L Crittenden
Molecular properties depend on molecular structure, so the first step in any computational chemistry investigation is to generate all thermally accessible conformers. Typically it is necessary to make a trade-off between the number of conformers to be explored and the accuracy of the method used to calculate their energies. Ab initio potential energy surface scans can, in principle, be applied to any molecule, but their conformational cost scales poorly with both molecular size and dimensionality of the search space...
September 6, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28915313/a-metabolomic-approach-applied-to-a-liquid-chromatography-coupled-to-high-resolution-tandem-mass-spectrometry-method-hplc-esi-hrms-ms-towards-the-comprehensive-evaluation-of-the-chemical-composition-of-cannabis-medicinal-extracts
#17
Cinzia Citti, Umberto Maria Battisti, Daniela Braghiroli, Giuseppe Ciccarella, Martin Schmid, Maria Angela Vandelli, Giuseppe Cannazza
INTRODUCTION: Cannabis sativa L. is a powerful medicinal plant and its use has recently increased for the treatment of several pathologies. Nonetheless, side effects, like dizziness and hallucinations, and long-term effects concerning memory and cognition, can occur. Most alarming is the lack of a standardised procedure to extract medicinal cannabis. Indeed, each galenical preparation has an unknown chemical composition in terms of cannabinoids and other active principles that depends on the extraction procedure...
September 15, 2017: Phytochemical Analysis: PCA
https://www.readbyqxmd.com/read/28915259/a-novel-mechanism-of-antibody-mediated-enhancement-of-flavivirus-infection
#18
Denise Haslwanter, Dieter Blaas, Franz X Heinz, Karin Stiasny
Antibody-dependent enhancement of viral infection is a well-described phenomenon that is based on the cellular uptake of infectious virus-antibody complexes following their interaction with Fcγ receptors expressed on myeloid cells. Here we describe a novel mechanism of antibody-mediated enhancement of infection by a flavivirus (tick-borne encephalitis virus) in transformed and primary human cells, which is independent of the presence of Fcγ receptors. Using chemical cross-linking and immunoassays, we demonstrate that the monoclonal antibody (mab) A5, recognizing an epitope at the interface of the dimeric envelope protein E, causes dimer dissociation and leads to the exposure of the fusion loop (FL)...
September 15, 2017: PLoS Pathogens
https://www.readbyqxmd.com/read/28915017/cationic-and-anionic-disorder-in-cztsse-kesterite-compounds-a-chemical-crystallography-study
#19
Pierre Bais, Maria Teresa Caldes, Michaël Paris, Catherine Guillot-Deudon, Pierre Fertey, Bernadette Domengès, Alain Lafond
The cationic and anionic disorder in the Cu2ZnSnSe4-Cu2ZnSnS4 (CZTSe-CZTS) system has been investigated through a chemical crystallography approach including X-ray diffraction (in conventional and resonant setup), (119)Sn and (77)Se NMR spectroscopy, and high-resolution transmission electron microscopy (HRTEM) techniques. Single-crystal XRD analysis demonstrates that the studied compounds behave as a solid solution with the kesterite crystal structure in the whole S/(S + Se) composition range. As previously reported for pure sulfide and pure selenide compounds, the (119)Sn NMR spectroscopy study gives clear evidence that the level of Cu/Zn disorder in mixed S/Se compounds depends on the thermal history of the samples (slow cooled or quenched)...
September 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28914763/emerging-estrogenic-pollutants-in-the-aquatic-environment-and-breast-cancer
#20
REVIEW
Sylvain Lecomte, Denis Habauzit, Thierry D Charlier, Farzad Pakdel
The number and amount of man-made chemicals present in the aquatic environment has increased considerably over the past 50 years. Among these contaminants, endocrine-disrupting chemicals (EDCs) represent a significant proportion. This family of compounds interferes with normal hormonal processes through multiple molecular pathways. They represent a potential risk for human and wildlife as they are suspected to be involved in the development of diseases including, but not limited to, reprotoxicity, metabolic disorders, and cancers...
September 15, 2017: Genes
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