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https://www.readbyqxmd.com/read/28727446/reductive-outer-sphere-single-electron-transfer-is-an-exception-rather-than-the-rule-in-natural-and-engineered-chlorinated-ethene-dehalogenation
#1
Benjamin Heckel, Stefan Cretnik, Sarah Kliegman, Orfan Shouakar-Stash, Kristopher McNeill, Martin Elsner
Chlorinated ethenes (CEs) such as perchloroethylene, trichloroethylene and dichloroethylene are notorious groundwater contaminants. Although reductive dehalogenation is key to their environmental and engineered degradation, underlying reaction mechanisms remain elusive. Outer-sphere reductive single electron transfer (OS-SET) has been proposed for such different processes as Vitamin B12-dependent biodegradation and zero-valent metal-mediated dehalogenation. Compound-specific isotope effect (13C/12C, 37Cl/35Cl) analysis offers a new opportunity to test these hypotheses...
July 20, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28726926/using-one-halogen-bond-to-change-the-nature-of-a-second-bond-in-ternary-complexes-with-pcl-and-fcl-halogen-bonds
#2
Janet E Del Bene, Ibon Alkorta, José Elguero
Ab initio MP2/aug'-cc-pVTZ calculations have been carried out to determine the effect of the presence of one halogen bond on the nature of the other in ternary complexes H2XP:ClF:ClH and H2XP:ClF:ClF, for X = F, Cl, H, NC, and CN. The PCl bonds remain chlorine-shared halogen bonds in the ternary complexes H2XP:ClF:ClH, although the degree of chlorine sharing increases relative to the corresponding binary complexes. The FCl bonds in the ternary complexes remain traditional halogen bonds. The binding energies of the complexes H2XP:ClF:ClH increase relative to the corresponding binary complexes, and nonadditivities of binding energies are synergistic...
July 20, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28726176/quality-assessment-and-public-health-status-of-harvested-rainwater-in-a-peri-urban-community-in-edo-state-of-nigeria
#3
Isoken H Igbinosa, Isoken T Aighewi
The harvested rainwater is an alternative water source in communities where there is limited or scarcity of water distribution system. However, contamination of roof-harvested rainwater is of immense concern to the general public health. Therefore, this study was initiated to assess the levels of physicochemical quality and heavy metal concentrations in the harvested rainwater from Oluku communities in Benin City, Edo State, Nigeria. The roof-harvested rainwater samples were collected from 20 independent different residential households in Oluku communities, between April 2015 and September 2015...
August 2017: Environmental Monitoring and Assessment
https://www.readbyqxmd.com/read/28725152/analysis-of-inorganic-and-organic-constituents-of-myrrh-resin-by-gc-ms-and-icp-ms-an-emphasis-on-medicinal-assets
#4
Syed Rizwan Ahamad, Abdul Rahman Al-Ghadeer, Raisuddin Ali, Wajhul Qamar, Suliman Aljarboa
The aim of the present investigation was to explore the constituents of the Arabian myrrh resin obtained from Commiphora myrrha. The organic and inorganic composition of the myrrh gum resin has been investigated using gas chromatography-mass spectrometry (GC-MS) and inductively coupled plasma-mass spectrometry (ICP-MS). Analysis executed by ICP-MS reveals the presence of various inorganic elements in significant amount in the myrrh resin. The elements that were found to be present in large amounts include calcium, magnesium, aluminum, phosphorus, chlorine, chromium, bromine and scandium...
July 2017: Saudi Pharmaceutical Journal: SPJ: the Official Publication of the Saudi Pharmaceutical Society
https://www.readbyqxmd.com/read/28723158/pd-catalyzed-decarbonylative-cross-couplings-of-aroyl-chlorides
#5
Christian A Malapit, Naoko Ichiishi, Melanie S Sanford
This report describes a method for Pd-catalyzed decarbonylative cross-coupling that enables the conversion of carboxylic acid derivatives to biaryls, aryl amines, aryl ethers, aryl sulfides, aryl boronate esters, and trifluoromethylated arenes. The success of this transformation leverages the Pd(0)/Brettphos-catalyzed decarbonylative chlorination of aroyl chlorides, which can then participate in diverse cross-coupling reactions in situ using the same Pd catalyst.
July 19, 2017: Organic Letters
https://www.readbyqxmd.com/read/28722773/radh-a-versatile-halogenase-for-integration-into-synthetic-pathways
#6
Binuraj Menon, Eileen Brandenburger, Humera Sharif, Ulrike Klemstein, Sarah Shepherd, Michael Greaney, Jason Micklefield
Flavin-dependent halogenases are useful enzymes providing halogenated molecules with improved biological activity or intermediates for synthetic derivatization. Here we demonstrate how the fungal halogenase RadH can be used to regioselectively halogenate a range of bioactive aromatic scaffolds. Site-directed mutagenesis of RadH was used to identify catalytic residues and provide insights into the mechanism of fungal halogenases. A high throughput fluorescence screen was also developed enabling a RadH mutant to be evolved with improved properties...
July 19, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28722076/the-anomalous-halogen-bonding-interactions-between-chlorine-and-bromine-with-water-in-clathrate-hydrates
#7
Hana Dureckova, Tom K Woo, Konstantin A Udachin, John A Ripmeester, Saman Alavi
Clathrate hydrate phases of Cl2 and Br2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be shorter than the sum of the van der Waals radii, which indicates the action of some type of non-covalent interaction between the dihalogens and water molecules. Given that in the hydrate phases both lone pairs of each water oxygen atom are engaged in hydrogen bonding with other water molecules of the lattice, the nature of the oxygen-halogen interactions may not be the standard halogen bonds characterized recently in the solid state materials and enzyme-substrate compounds...
July 19, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28722061/bromide-assisted-catalytic-oxidation-of-lead-ii-solids-by-chlorine-in-drinking-water-distribution-systems
#8
John Orta, Samuel Patton, Haizhou Liu
This study investigated the effect of bromide on the oxidation of three lead(ii) solids by chlorine - a redox process critical to the control of lead release in drinking water distribution systems. Bromide had a strong catalytic effect on the oxidation of lead(ii) carbonate solids, but had a limited impact on the oxidation of lead(ii) phosphate.
July 19, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28721729/impact-of-cl-doping-on-electrochemical-performance-in-orthosilicate-li2fesio4-a-dft-supported-experimental-approach
#9
Shivani Singh, Anish K Raj, Raja Sen, Priya Johari, Sagar Mitra
Safe and high capacity cathode materials are a long quest for commercial lithium-ion battery development. Among various searched cathode materials, Li2FeSiO4 has taken the attention due to optimal working voltage, high elemental abundance, and low toxicity. However, as per our understanding and observation, the electrochemical performance of this material is significantly limited by the intrinsic low electronic conductivity and slow lithium-ion diffusion, which limits the practical capacity (theoretical ~ 330 mAh g-1)...
July 19, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28720962/minimally-processed-beetroot-waste-as-an-alternative-source-to-obtain-functional-ingredients
#10
Anne Porto Dalla Costa, Vanessa Stahl Hermes, Alessandro de Oliveira Rios, Simone Hickmann Flôres
Large amounts of waste are generated by the minimally processed vegetables industry, such as those from beetroot processing. The aim of this study was to determine the best method to obtain flour from minimally processed beetroot waste dried at different temperatures, besides producing a colorant from such waste and assessing its stability along 45 days. Beetroot waste dried at 70 °C originates flour with significant antioxidant activity and higher betalain content than flour produced from waste dried at 60 and 80 °C, while chlorination had no impact on the process since microbiological results were consistent for its application...
June 2017: Journal of Food Science and Technology
https://www.readbyqxmd.com/read/28720083/a-prolonged-community-wide-cholera-outbreak-associated-with-drinking-water-contaminated-by-sewage-in-kasese-district-western-uganda
#11
Benon Kwesiga, Gerald Pande, Alex Riolexus Ario, Nazarius Mbona Tumwesigye, Joseph K B Matovu, Bao-Ping Zhu
BACKGROUND: In May 2015, a cholera outbreak that had lasted 3 months and infected over 100 people was reported in Kasese District, Uganda, where multiple cholera outbreaks had occurred previously. We conducted an investigation to identify the mode of transmission to guide control measures. METHODS: We defined a suspected case as onset of acute watery diarrhoea from 1 February 2015 onwards in a Kasese resident. A confirmed case was a suspected case with Vibrio cholerae O1 El Tor, serotype Inaba cultured from a stool sample...
July 18, 2017: BMC Public Health
https://www.readbyqxmd.com/read/28719305/optimizing-household-chlorination-marketing-strategies-a-randomized-controlled-trial-on-the-effect-of-price-and-promotion-on-adoption-in-haiti
#12
Michael Ritter, Eveline Camille, Christophe Velcine, Rose-Kerline Guillaume, Daniele Lantagne
Household water treatment can reduce diarrheal morbidity and mortality in developing countries, but adoption remains low and supply is often unreliable. To test effects of marketing strategies on consumers and suppliers, we randomized 1,798 households in rural Haiti and collected data on purchases of a household chlorination product for 4 months. Households received randomly selected prices ($0.11-$0.56 per chlorine bottle), and half received monthly visits from sales agents. Each $0.22 drop in price increased purchases by 0...
July 2017: American Journal of Tropical Medicine and Hygiene
https://www.readbyqxmd.com/read/28719281/risk-factors-for-household-transmission-of-vibrio-cholerae-in-dhaka-bangladesh-chobi7-trial
#13
Vanessa Burrowes, Jamie Perin, Shirajum Monira, David A Sack, Mahamud-Ur Rashid, Toslim Mahamud, Zillur Rahman, Munshi Mustafiz, Sazzadul I Bhuyian, Farzana Begum, Fatema Zohura, Shwapon Biswas, Tahmina Parvin, Tasdik Hasan, Xiaotong Zhang, Bradley R Sack, K M Saif-Ur-Rahman, Munirul Alam, Christine Marie George
AbstractHousehold contacts of cholera patients are at a 100 times higher risk of a Vibrio cholerae infection than the general population. To examine risk factors for V. cholerae infections and investigate intervention strategies among this population, we followed household contacts of cholera patients for the 1-week high-risk period after the index patient obtained care. This study was nested within a randomized controlled trial of the Cholera-Hospital-Based-Intervention-for-7-days (CHoBI7), a handwashing with soap and water treatment intervention in Dhaka, Bangladesh...
June 2017: American Journal of Tropical Medicine and Hygiene
https://www.readbyqxmd.com/read/28719205/theoretical-investigations-on-the-mechanism-and-kinetics-of-oh-radical-initiated-reactions-of-monochloroacetic-acid
#14
Ravichandran Bhuvaneswari, Lakshmanan Sandhiya, Kittusamy Senthilkumar
The oxidation mechanism of monochloroacetic acid (CH2ClCOOH) by OH radical has been systematically investigated employing quantum mechanical methods coupled with kinetic calculation using canonical variational transition state theory. Three distinct transition states were identified for the titled reaction, two corresponding to the hydrogen atom abstraction and one corresponding to the chlorine atom abstraction. The rate constant of the titled reactions are computed over the temperature range of 278-350 K and the branching ratios calculated for the hydrogen atom abstraction from -C(O)OH site and -CH2Cl site is 25% and 75%, respectively at 298K...
July 18, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28718996/production-of-ligninolytic-enzymes-and-some-diffusible-antifungal-compounds-by-white-rot-fungi-using-potato-solid-wastes-as-the-sole-nutrient-source
#15
H Schalchli, E Hormazábal, O Rubilar, G Briceño, A Mutis, G J Zocolo, C Diez
AIMS: The aim of this study was to evaluate the synthesis of ligninolytic enzymes and some diffusible antifungal compounds by white-rot fungi using peels or discarded potato as the sole nutrient source. METHODS AND RESULTS: The strain Trametes hirsuta Ru-513 has been highlighted for its laccase activity (595 ± 33 U l(-1) ), which is able to decolourise 87% of an anthraquinone dye using potato peels as the sole nutritional support. A native polyacrylamide gel of laccase proteins showed the presence of two isoenzymes, corresponding to proteins of 56 and 67 kDa, which were detected by SDS-PAGE...
July 18, 2017: Journal of Applied Microbiology
https://www.readbyqxmd.com/read/28718961/photodegradation-kinetics-transformation-and-toxicity-prediction-of-ketoprofen-carprofen-and-diclofenac-acid-in-aqueous-solutions
#16
Jian Li, Li-Yun Ma, Lu-Shuang Li, Li Xu
In this study, the photodegradation of three commonly used non-steroidal anti-inflammatory drugs, ketoprofen (KET), carprofen (CAR) and diclofenac acid (DIC), was conducted under UV irradiation. The kinetic results showed that the studied three pharmaceuticals obeyed to the first-order reaction with the decreasing rate constants of 1.54×10(-4) s(-1) , 5.91×10(-5) s(-1) and 7.78×10(-6) s(-1) for CAR, KET and DIC, respectively. Moreover, the main transformation products (TPs) were identified by ion-pair liquid-liquid extraction combined with injection port derivatization-gas chromatography-mass spectrometer and high performance liquidchromatography-quadrupole-time of flight mass spectrometer analysis...
July 18, 2017: Environmental Toxicology and Chemistry
https://www.readbyqxmd.com/read/28718891/mk-reduces-inhaled-chlorine-triggered-ahr-and-airway-inflammation-in-the-mouse
#17
Yoichiro Hamamoto, Satoshi Ano, Benoit Allard, Michael O'Sullivan, Toby K McGovern, James G Martin
BACKGROUND AND PURPOSE: Cysteinyl leukotrienes (CysLTs) are pro-inflammatory lipid mediators that exacerbate disease state in several asthma phenotypes including asthma induced by allergen, virus and exercise. However, the role of CysLTs in irritant-induced airway disease is not well characterized. The purpose of the current study was to investigate the effect of montelukast (MK), a CysLT1R antagonist, on parameters of irritant-induced asthma (IIA) induced by inhalation of chlorine (Cl2 ) in the mouse...
July 18, 2017: British Journal of Pharmacology
https://www.readbyqxmd.com/read/28717256/ketone-catalyzed-photochemical-c-sp-3-h-chlorination
#18
Lei Han, Jibao Xia, Lin You, Chuo Chen
Photoexcited arylketones catalyze the direct chlorination of C(sp(3))-H groups by N-chlorosuccinimide. Acetophenone is the most effective catalyst for functionalization of unactivated C-H groups while benzophenone provides better yields for benzylic C-H functionalization. Activation of both acetophenone and benzophenone can be achieved by irradiation with a household compact fluorescent lamp. This light-dependent reaction provides a better control of the reaction as compared to the traditional chlorination methods that proceed through a free radical chain propagation mechanism...
June 29, 2017: Tetrahedron
https://www.readbyqxmd.com/read/28716739/phototoxicity-in-a-laryngeal-cancer-cell-line-enhanced-by-a-targeting-amphiphilic-chlorin-photosensitizer
#19
Milene N O Moritz, Carlos Rossa, Kleber T de Oliveira, Marciana P Uliana, Janice R Perussi
BACKGROUND: Photodynamic therapy (PDT) has been established in several countries as an alternative therapy for the treatment of various malignancies. This therapy involves the incorporation of a photosensitizer (PS) that is activated by visible light and form reactive oxygen species leading to target cell death by apoptosis or necrosis. Previously, our group has demonstrated that CHL-T (semi-synthesized from chlorophyll a and containing a linked solubilizing group TRISMA(®)) presented a pronounced potential to induce death in HeLa cell line after PDT...
July 14, 2017: Photodiagnosis and Photodynamic Therapy
https://www.readbyqxmd.com/read/28716483/clinically-relevant-fungi-in-water-and-on-surfaces-in-an-indoor-swimming-pool-facility
#20
Yuli Ekowati, Anne D van Diepeningen, Giuliana Ferrero, Maria D Kennedy, Ana Maria de Roda Husman, Franciska M Schets
The density of fungal contamination and the fungal diversity in an indoor swimming pool facility were assessed. A total of 16 surface samples and 6 water samples were analysed by using a combination of different (semi-) selective culture media. Isolated fungal colonies were identified to the genus or species level by sequencing of the internal transcribed spacer (ITS). The highest fungal counts in water and on surfaces were in the recreational pool (17CFU/100mL) and on a flexibeam (5.8CFU/cm(2)), respectively as compared with low counts (<0...
July 10, 2017: International Journal of Hygiene and Environmental Health
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