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Hunter W Schroer, Kathryn L Langenfeld, Xueshu Li, Hans-Joachim Lehmler, Craig L Just
Insensitive munitions explosives are new formulations that are less prone to unintended detonation compared to traditional explosives. While these formulations have safety benefits, the individual constituents, such as 2,4-dinitroanisole (DNAN), have an unknown ecosystem fate with potentially toxic impacts to flora and fauna exposed to DNAN and/or its metabolites. Fungi may be useful in remediation and have been shown to degrade traditional nitroaromatic explosives, such as 2,4,6-trinitrotoluene and 2,4-dinitrotoluene, that are structurally similar to DNAN...
December 2, 2016: Biodegradation
Guanyi Chen, Liguo Zhu, Shufang Wang, Yuan Zhuang, Yang Yu, Deqing Wang
BACKGROUND: The prepared procedure for universal plasma in the Chinese population has been developed. However, the immunological safety with the level of antibodies, soluble immune complexes and complements is necessary to investigate. METHODS: The universal plasma was pooled at the optimal ratio of A:B:AB = 6:2.5:1.5 at 22 °C for 1 hour. The titer of IgM antibodies was detected by saline agglutination, and the titer of IgG antibodies was detected by a Polybrene test after IgM destroyed by 2-mereaptoethanol...
November 14, 2016: Transfusion and Apheresis Science
G Kampf, A Kramer, M Suchomel
The World Health Organization recommends the use of hand rubs with 'sustained activity' for surgical hand preparation. This review aims to verify whether any of the alcohol-based hand rubs containing non-volatile 'active ingredients' such as chlorhexidine digluconate (CHG), mecetronium ethylsulphate (MES), or ortho-phenylphenol (OPP) provides such sustained efficacy for surgical hand disinfection. Literature was searched to find studies according to EN 12791. Published data sets were analysed to verify whether any of the formulations has a superior efficacy (P<0...
November 12, 2016: Journal of Hospital Infection
Hu Li, Zhen Fang, Jian He, Song Yang
The development of functional metal-organic materials being robust and active for bifunctional/cascade catalysis is of great significance. Herein, a series of mesoporous and orderly layered nanohybrids were synthesized for the first time via simple and template-free assembly of ortho-, meta-, or para-xylylenediphosphonates (o-, p-, or m-PhP) with zirconium. It was found that m-PhPZr nanoparticles (20-50 nm) with mesopores centered at 7.9 nm and high Lewis acid/base site ratio (1:0.7) showed prominent performance under mild conditions (as low as 82 ºC) in transfer hydrogenation of carbonyl compounds including bio-aldehydes to alcohols with near quantative yields and little Zr leaching...
December 2, 2016: ChemSusChem
Panita Suebsureekul, Smorntree Viteporn
OBJECTIVE: The purpose of this work was to compare fluoride release from three orthodontic adhesives and fluoride penetration into the enamel surface. MATERIALS AND METHODS: A total of 156 extracted human premolar teeth were randomly assigned to three experimental groups and one control group (without bonding) with 39 teeth per group. Brackets were bonded to teeth using Fuji Ortho LC(®), Illuminate(®), or Light Bond(®). The amount of fluoride released (ppm) into artificial saliva was measured by a fluoride ion-selective electrode connected to an ion analyzer on days 1, 3, 7, and 30...
December 1, 2016: Journal of Orofacial Orthopedics, Fortschritte der Kieferorthopädie
Luca La Notte, Enrica Villari, Alessandro Lorenzo Palma, Alberto Sacchetti, Maria Michela Giangregorio, Giovanni Bruno, Aldo Di Carlo, Giuseppe Valerio Bianco, Andrea Reale
A five-layer (5L) graphene on a glass substrate has been demonstrated as a transparent conductive electrode to replace indium tin oxide (ITO) in organic photovoltaic devices. The required low sheet resistance, while maintaining high transparency, and the need of a wettable surface are the main issues. To overcome these, two strategies have been applied: (i) the p-doping of the multilayer graphene, thus reaching 25 Ω □(-1) or (ii) the O2-plasma oxidation of the last layer of the 5L graphene that results in a contact angle of 58° and a sheet resistance of 134 Ω □(-1)...
December 1, 2016: Nanoscale
Daniel Desaulniers, Cathy Cummings-Lorbetskie, Nanqin Li, Gong-Hua Xiao, Leonora Marro, Nasrin Khan, Karen Leingartner
Hypomethylation of DNA repeats has been linked to diseases and cancer predisposition. Human studies suggest that higher blood concentrations of environmental contaminants (EC) correlate with levels of hypomethylation of DNA repeats in blood. The objective of this study was to examine the effect of in utero and/or lactational exposure to EC on the methylation of DNA repeats (LINE-1 and identifier element) in Sprague-Dawley rat pups at birth, at postnatal day (PND) 21, and in adulthood (PND78-86). From gestation day 0 to PND20, dams were exposed to a mixture "M" of polychlorinated biphenyls (PCB), pesticides, and methylmercury (MeHg), at 0...
December 1, 2016: Journal of Toxicology and Environmental Health. Part A
Kevin M Hickson, Yury V Suleimanov
In a previous joint experimental and theoretical study of the barrierless chemical reaction C((1)D) + H2 at low temperatures (300-50 K) [K. M. Hickson, J.-C. Loison, H. Guo and Y. V. Suleimanov, J. Phys. Chem. Lett., 2015, 6, 4194], excellent agreement was found between experimental thermal rate constants and theoretical estimates based on ring polymer molecular dynamics (RPMD) over the two lowest singlet potential energy surfaces (PESs). Here, we extend this work to one of its isotopologues, C((1)D) + D2, over the same temperature range...
December 1, 2016: Physical Chemistry Chemical Physics: PCCP
Afik Shachar, Nitzan Mayorkas, Hanan Sachs, Ilana Bar
Fluorination is considered as a possible means for alteration of conformational landscapes in molecules. The effect of fluorine substitution was studied here by measuring the vibronic and vibrational spectra of gas phase 2-(4-fluoro-phenyl)-ethylamine (4-FPEA) by resonant two-photon ionization (R2PI) and by ionization-loss stimulated Raman spectroscopy (ILSRS). The measurement of survey ILSR spectra of 4-FPEA in the amino group region allowed to associate the bands in the R2PI spectrum to origin and vibronic transitions of the ground (S0) to the excited (S1) electronic states of three different conformers...
December 1, 2016: Physical Chemistry Chemical Physics: PCCP
Xiuling Bai, Jinhua Sun, Yunkai Zhou, Lei Gu, Hongyan Zhao, Jiehua Wang
Characterization of phosphorus (P) pools is vital to understanding the contribution of P to water eutrophication. In this study, dissolved and particulate P classes during an algae bloom in Lake Taihu, as well as their relationships with the main environmental factors, were analyzed based on solution (31)P NMR. The results showed that dissolved P was dominated by orthophosphate (Ortho-P) in heavily polluted regions and by orthophosphate monoester (Mono-P) and orthophosphate diester (Diester-P) in lightly polluted regions, indicating that the main dissolved P classes varied with the degree of lake pollution...
November 27, 2016: Chemosphere
Pamela T Wong, Shengzhuang Tang, Jayme Cannon, Jhindan Mukherjee, Danielle Isham, Kristina Gam, Michael Payne, Sean A Yanik, James R Baker, Seok Ki Choi
Despite the immense potential of existing photocaging technology, its application is limited by the paucity of advanced caging tools. Here, we report on the design of a novel thioacetal ortho-nitrobenzaldehyde (TNB) dual arm photocage that enabled control of the simultaneous release of two payloads linked to a single TNB unit. By using this cage, which was prepared in a single step from commercial 6-nitroverataldehyde, three drug-fluorophore conjugates were synthesized: Taxol-TNB-fluorescein, Taxol-TNB-coumarin, and doxorubicin-TNB-coumarin, and long-wavelength UVA light-triggered release experiments demonstrated that dual payload release occurred with rapid decay kinetics for each conjugate...
November 7, 2016: Chembiochem: a European Journal of Chemical Biology
Aimee K Clarke, John T R Liddon, James D Cuthbertson, Richard J K Taylor, William P Unsworth
Two complementary dearomatising spirocyclisation protocols to generate spirocyclic dienones from anisole and phenol-tethered ynones are described, each proceeding via electrophilic alkyne activation. The first approach focuses on the spirocyclisation of para-substituted anisoles using either SnCl2·2H2O or Cu(OTf)2. The second approach, which enables the spirocyclisation of both ortho- and para-substituted phenols, uses silica-supported AgNO3 to generate similar scaffolds with much greater efficiency. Initial asymmetric studies are also outlined...
November 30, 2016: Organic & Biomolecular Chemistry
T Stoecklin, A Faure, P Jankowski, S Chefdeville, A Bergeat, C Naulin, S B Morales, M Costes
A joint crossed beam and quantum mechanical investigation of the rotationally inelastic collisions of CO with ortho- and para-D2 molecules is reported. A new 4D potential energy surface (PES) averaged over the ground vibrational states of D2 and CO is used to calculate the rovibrational bound states of the ortho-D2-CO complexes. Close coupling calculations are then performed in the rigid rotor approximation for ortho- and para-D2 colliding with CO for the experimentally investigated transition of CO (j = 0 → 1) and for collision energies ranging from 0...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
Xiaodong Xiong, Ying-Yeung Yeung
An organocatalytic, highly facile, efficient, and regioselective ortho-chlorination of anilines is described. A secondary ammonium chloride salt has been employed as the catalyst and the reaction can be conducted at room temperature without protection from air and moisture. In addition, the reaction is readily scalable and the catalyst can be recycled and reused. This catalytic protocol has been applied to the efficient synthesis of a highly potent c-Met kinase inhibitor. Mechanistic studies revealed that unique structural features of the secondary ammonium chloride salt are important for both the catalysis and regioselectivity of the electrophilic ortho-chlorination...
November 30, 2016: Angewandte Chemie
Xiao Yang, Zhouyue Li, Junwen Zeng
Myopia has become a worldwide public health issue. Recent studies have consistently reported that orthokeratology (Ortho-K) significantly inhibits the progression of myopia by slowing the elongation of axial length. It has been hypothesized that this effect results from the induction of peripheral myopic defocus, which is a result of the effects of the Ortho-K lenses on the midperipheral corneal topography. Previous studies have investigated the relationship between predicting factors and the inhibitory effect of Ortho-K for slowing childhood myopic progression and found some meaningful results; however, some of the findings are controversial...
November 2016: Asia-Pacific Journal of Ophthalmology
Andrew J Warner, Anna Churn, John S McGough, Michael J Ingleson
BCl3 -induced borylative cyclization of aryl-alkynes possessing ortho-EMe (E=S, O) groups represents a simple, metal-free method for the formation of C3-borylated benzothiophenes and benzofurans. The dichloro(heteroaryl)borane primary products can be protected to form synthetically ubiquitous pinacol boronate esters or used in situ in Suzuki-Miyaura cross couplings to generate 2,3-disubstituted heteroarenes from simple alkyne precursors in one pot. In a number of cases alkyne trans-haloboration occurs alongside, or instead of, borylative cyclization and the factors controlling the reaction outcome are determined...
November 29, 2016: Angewandte Chemie
Xunshan Liu, Sara Sangtarash, David Reber, Dan Zhang, Hatef Sadeghi, Jia Shi, Zong-Yuan Xiao, Wenjing Hong, Colin J Lambert, Shi-Xia Liu
To guide the choice of future synthetic targets for single-molecule electronics, qualitative design rules are needed, which describe the effect of modifying chemical structure. Here the effect of heteroatom substitution on destructive quantum interference (QI) in single-molecule junctions is, for the first time experimentally addressed by investigating the conductance change when a "parent" meta-phenylene ethylene-type oligomer (m-OPE) is modified to yield a "daughter" by inserting one nitrogen atom into the m-OPE core...
November 29, 2016: Angewandte Chemie
Raphael Kühnreich, Ulrike Holzgrabe
The use of ortho-phthalaldehyde (OPA) for the derivatization of amino acids (AA) is well known. It enables the separation of the derivatives on common reversed phase columns and improves the sensitivity with fluorescence detection. With the use of a chiral thiol an indirect enantioseparation of chiral amines and AAs is feasible. The major drawback of the OPA-derivatization is the poor stability of the products. Here, a method with an in-needle derivatization procedure is optimized to facilitate a quantitative conversion of the AA with OPA and the chiral thiols N-acetyl-L-cysteine or N-isobutyryl-L-cysteine, followed by a subsequent analysis, eluding the stability issue...
December 2016: Chirality
Zhenyi Yu, Yi-Shi Wu, Jianwei Chen, Chunlin Sun, Hongbing Fu
Previous studies suggest the perylenediimide (PDI) triplet excited state (T1) have been accessible only through bimolecular sensitization, the internal heavy-atom effect or a sophisticated cascade of nonradiative processes. Here, we designed heavy-atom-free PDIs to prompt the Tn ← S1 intersystem crossing (ISC) by introducing electron donating heterofluorene groups at the head positions of the electron-deficient PDI core. We obtained relatively high ISC efficiency up to 92% yield. Furthermore, promptly generated PDI triplets can sensitize the molecular oxygen quantitatively to yield (1)O2, with singlet oxygen generation efficiencies (ΦΔ) near to unity...
November 28, 2016: Physical Chemistry Chemical Physics: PCCP
Nino G Todua, Anzor I Mikaia
Derivatives requiring either anhydrous or aqueous reaction conditions were prepared for robust and reliable gas chromatography/mass spectrometry (GC/MS) characterization of hydroxyl, mercapto, and amino benzoic acids Methylation and trialkylsilytation are employed for blocking the acidic function. Alkyl, trimethylsilyl, acetyl, perfluoroacyl and alkoxycarbonyl derivatization groups are introduced to hydroxyl, mercapto and amino functions. The electron ionization induced fragmentation characteristics of corresponding derivatives are explained by comparing the MS(1) spectra of unlabeled compounds to their (2)H and (13)C labeled analogs, and analysis of collision-induced dissociation data from MS(2) spectra...
2016: Mass Spektrom
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