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M Arivazhagan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 82(1), 316-326 (2011-08-13)
Molecular structure and vibrational frequencies of 1-3-dibromo-5-chlorobenzene (DBCB) have been investigated by density functional theory (DFT) calculations using Becke's three-parameter exchange functional combined with Lee-Yang-Parr correlation (B3LYP) and standard basis set 6-31G. DFT (B3LYP/6-31G) calculations have been performed giving energies
Mi Yan et al.
Waste management (New York, N.Y.), 32(7), 1453-1458 (2012-04-06)
Nitrogen containing compounds such as ammonia, urea and amines can effectively inhibit the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). Sewage sludge accumulates both sulfur and nitrogen during wastewater treatment so it could be used to reduce PCDD/Fs formation. Indeed
Angélique San Miguel et al.
Ecotoxicology (London, England), 21(2), 315-324 (2011-09-29)
A 7-day-exposure time experiment was designed to investigate the phytotoxicity of chlorobenzenes (CBs) on Zea mays seedlings, focusing on the growth and generation of oxidative stress. Significant growth inhibition (based on biomass gain) was observed for exposure to monochlorobenzene (MCB)
Nicholas G Davey et al.
Rapid communications in mass spectrometry : RCM, 29(23), 2187-2194 (2015-11-03)
The ability of membrane introduction mass spectrometry to quantitatively resolve low molecular weight volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene and xylene (BTEX) using electron ionization (EI) can be compromised by isobaric interferences. This work focuses on reducing
M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 97, 231-245 (2012-07-07)
In this work, the experimental and theoretical study on the molecular structure and vibrational spectra of 2,4,5-trichloroaniline (C(6)H(4)NCl(3), abbreviated as 2,4,5-TClA) were studied. The FT-IR and FT-Raman spectra were recorded. The molecular geometry and vibrational frequencies in the ground state
P Marín et al.
Journal of occupational and environmental hygiene, 10(3), 132-142 (2013-01-30)
Passive sampling is a well-established methodology for the evaluation of exposures to environmental volatile organic compounds (VOCs). The solid-phase microextraction (SPME) technique is a reliable means of sampling VOCs in air. SPME is also being applied as a passive sampler
Weijun Ke et al.
Nature communications, 6, 6700-6700 (2015-03-24)
Efficient lead halide perovskite solar cells use hole-blocking layers to help collection of photogenerated electrons and to achieve high open-circuit voltages. Here, we report the realization of efficient perovskite solar cells grown directly on fluorine-doped tin oxide-coated substrates without using
Yiling Wang et al.
ACS applied materials & interfaces, 7(13), 7170-7179 (2015-03-21)
Solution-processed organic-inorganic hybrids composing of MoO3 nanoparticles and PEDOT:PSS were developed for use in inverted organic solar cells as hole transporting layer (HTL). The hybrid MoO3:PEDOT:PSS inks were prepared by simply mixing PEDOT:PSS aqueous and MoO3 ethanol suspension together. A
Wei-Chao Chen et al.
ACS applied materials & interfaces, 7(8), 4616-4622 (2015-02-11)
Controlled dispersion of single-walled carbon nanotubes (SWCNTs) in common solvents is a challenging issue, especially for the rising need of low cost flexible transparent conducting films (TCFs). Utilizing conductive polymer as surfactant to facilitate SWCNTs solubility is the most successful
Xiaoqing Zhou et al.
The Analyst, 140(5), 1662-1671 (2015-01-27)
An effective dual preconcentration method involving off-line hollow fiber liquid-liquid-liquid microextraction (HF-LLLME) and on-line sweeping micellar electrokinetic chromatography (sweeping-MEKC) was proposed for the determination of five second-generation antidepressants, including fluoxetine, sertraline, paroxetine, fluvoxamine and citalopram. In HF-LLLME, the analytes were
F Vela-Soria et al.
Talanta, 129, 209-218 (2014-08-17)
The population is continuously exposed to endocrine disrupting chemicals (EDCs). This has influenced an increase in diseases and syndromes that are more frequent nowadays. Therefore, it is necessary to develop new analytical procedures to evaluate the exposure with the ultimate
Rajeev Dattani et al.
Soft matter, 11(16), 3125-3131 (2015-03-06)
We report the phase behaviour of polymer/fullerene/solvent ternary mixtures and its consequence for the morphology of the resulting composite thin films. We focus particularly on solutions of polystyrene (PS), C60 fullerene and toluene, which are examined by static and dynamic
Kerry N McPhedran et al.
Water research, 47(7), 2222-2230 (2013-03-12)
The sorption behaviour of hydrophobic organic compounds (HOCs) 1,2,4,5-tetrachlor-obenzene (TeCB), pentachlorobenzene (PeCB) and hexachlorobenzene (HCB) to Aldrich humic acid (AHA) and municipal wastewater treatment plant (MWTP) influent colloidal organic carbon (COC) was investigated using the gas-stripping technique. Gas stripping assumptions
Peipei Yang et al.
Langmuir : the ACS journal of surfaces and colloids, 31(42), 11701-11708 (2015-10-06)
We demonstrate that noble metal @ RF core-shell nanostructures can be obtained through a facile one-pot synthesis approach in the absence of any additional surfactants. Monodisperse metal@RF core-shell nanostructures can be produced within 1 h on a large scale. Both
Dane R Letourneau et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 14(11), 2108-2118 (2015-10-07)
The photochemically mediated dechlorination of polyhalogenated compounds represents a potential decontamination strategy and a relevant environmental process in chemically reducing media. We report the UV irradiation of natural and artificial waters containing natural dissolved organic matter to effect the photo-sensitized
M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 88, 37-48 (2011-12-27)
In this work, the vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 100-4000 cm(-1) and 400-4000 cm(-1) respectively, for the title molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
Coq B, et al.
J. Catal., 101(2), 434-445 (1986)
Chuan-Yu Qin et al.
Water environment research : a research publication of the Water Environment Federation, 85(2), 133-140 (2013-03-12)
A two-dimensional laboratory sand tank was installed to study the remediation efficiency of surfactant-enhanced air sparging (-SEAS) coupled with soil vapor extraction (SVE) in nonaqueous phase liquid (NAPL) polluted sites. During initial stages of remediation, it was more reasonable to
Hui-Seon Kim et al.
The journal of physical chemistry letters, 6(22), 4633-4639 (2015-11-10)
Mismatch of current (I)-voltage (V) curves with respect to the scan direction, so-called I-V hysteresis, raises critical issue in MAPbI3 (MA = CH3NH3) perovskite solar cell. Although ferroelectric and ion migration have been proposed as a basis for the hysteresis
R B Nasir Baig et al.
Chemical communications (Cambridge, England), 48(20), 2582-2584 (2012-02-02)
Diaryl sulfides were synthesized using a magnetically recoverable heterogeneous Cu catalyst via one-pot multi component reaction using MW irradiation; the use of isopropanol as a benign reaction medium, easy recovery of the catalyst using an external magnet, efficient recycling, and
Xiaoming Liang et al.
Environmental science & technology, 45(19), 8321-8327 (2011-08-20)
Stable carbon isotope fractionation is a valuable tool for monitoring natural attenuation and to establish the fate of groundwater contaminants. In this study, we measured carbon isotope fractionation during aerobic and anaerobic degradation of two chlorinated benzenes: monochlorobenzene (MCB) and
Rohidas S Sulake et al.
Bioorganic & medicinal chemistry letters, 21(19), 5719-5721 (2011-08-26)
A convenient synthesis of ketamine metabolite dehydronorketamine-d(4), starting from commercially available deuterium labeled bromochlorobenzene, was achieved. Key steps include Grignard reaction, regioselective hydroxybromination, Staudinger reduction, and dehydrohalogenation.
Th Gomti Devi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 91, 106-112 (2012-03-01)
Solvent dependent Raman band studies of some carbonyl containing molecules have been carried out in chlorobenzene (CLB) and chloroform (CLF) solvents. The variation of bandwidth with the solvent concentration was discussed using different mechanisms. The vibrational and reorientational correlation times
Lloyd Muzangwa et al.
The Journal of chemical physics, 137(18), 184307-184307 (2012-11-21)
Noncovalent interactions such as hydrogen bonding, π-π stacking, CH/π interactions, and halogen bonding play crucial roles in a broad spectrum of chemical and biochemical processes, and can exist in cooperation or competition. Here we report studies of the homoclusters of
Salim Sioud et al.
Rapid communications in mass spectrometry : RCM, 28(22), 2389-2397 (2014-10-11)
The formation of ions during atmospheric pressure photoionization (APPI) mass spectrometry in the positive mode usually provides radical cations and/or protonated species. Intriguingly, during the analysis of some N-alkyl-substituted thieno[3,4-c]pyrrole-4,6-dione (TPD) derivatives synthesized in our laboratory, unusual [M-H](+) ion peaks
Kyeongil Hwang et al.
Advanced materials (Deerfield Beach, Fla.), 27(7), 1241-1247 (2015-01-13)
Fully printed perovskite solar cells are demonstrated with slot-die coating, a scalable printing method. A sequential slot-die coating process is developed to produce efficient perovskite solar cells and to be used in a large-scale roll-to-roll printing process. All layers excluding
Yu Li et al.
Huan jing ke xue= Huanjing kexue, 33(3), 825-831 (2012-05-26)
In this study, the property and mechanism of modified bentonites synthesized by long chain quaternary ammonium compounds which would be used in the emergent retention of typical organic liquid (benzene, chlorobenzene, nitrobenzene and diesel) were investigated and a pilot-scale simulation
Zohre Kurt et al.
Environmental science & technology, 46(21), 11829-11835 (2012-10-06)
Plumes of contaminated groundwater often pass through an oxic/anoxic interface when they discharge into surface water bodies. We tested the hypothesis that contaminants recalcitrant under anaerobic conditions but degradable under aerobic conditions can be biodegraded at the interface resulting in
Tiina J Kauppila et al.
Journal of the American Society for Mass Spectrometry, 25(11), 1870-1881 (2014-09-25)
A novel, gas-tight API interface for gas chromatography-mass spectrometry was used to study the ionization mechanism in direct and dopant-assisted atmospheric pressure photoionization (APPI) and atmospheric pressure laser ionization (APLI). Eight analytes (ethylbenzene, bromobenzene, naphthalene, anthracene, benzaldehyde, pyridine, quinolone, and
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