A Membrane Introduction Mass Spectrometry (MIMS) method was developed to differentiate and quantify the different chlorinated and brominated-amines, present in drinking water during chloramination. The representative mass to charge ratios (m/z) of 53, 85, 97, 175 and 131 corresponding to the mass of the parent compounds were selected to monitor NHCl, NHCl, NHBr, NHBr and NHBrCl and the detection limits were found to be 0.034, 0.034, 0.10, 0.12 and 0.36 mg/L as Cl, respectively. NHCl, NHBr and NHBrCl fragments interfere with the analysis/quantification of NHCl and NHBr via protonation reactions at hot metal surfaces inside the mass spectrometer. To accurately quantify NHCl or NHBr in mixtures of NHCl/NHCl or NHBr/NHBr, the interference from NHCl or NHBr was subtracted to the signal of the parent compound. If NHBrCl is present, NHBr and NHCl cannot be accurately quantified since the interference from the NHBrCl fragment cannot be distinguished from the signal of the parent compound. Under drinking water conditions, the interference from NHBrCl on NHCl was negligible. The different halamines were monitored and quantified for the first time in two surface waters and one seawater that were chloraminated to mimic a realistic disinfection scenario.
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http://dx.doi.org/10.1016/j.scitotenv.2020.142303 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
November 2023
Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.
In bromido-(pyrrolidine-κ)gold(I) bis-(pyrrolidine-κ)gold(I) bromide, [AuBr(pyr)]·[Au(pyr)]Br (pyr = pyrrolidine, CHN), , alternating [AuBr(pyr)] mol-ecules and [Au(pyr)] cations are connected by aurophilic contacts to form infinite chains of residues parallel to the axis. The chains are cross-linked by three N-H⋯Br hydrogen bonds and an Au⋯Br contact to form a layer structure parallel to the plane. Tri-chlorido-(piperidine-κ)gold(III), [AuCl(pip)] (pip = piperidine, CHN), , consists of mol-ecules with the expected square-planar coordination at the gold atom, which are connected by an N-H⋯Cl hydrogen bond and an Au⋯Cl contact to form a layer structure parallel to the plane.
View Article and Find Full Text PDFSci Total Environ
January 2021
Curtin Water Quality Research Centre, School of Molecular and Life Sciences, Curtin University, Perth, WA, Australia. Electronic address:
J Biomol Struct Dyn
January 2022
Department of Animal Nutrition, Veterinary College and Research Institute, TamilNadu Veterinary and Animal Sciences University, Tirunelveli, India.
The utmost aim of the current study is to find significance of the binding affinity in the halogen and non-halogen derivatives: Br, Cl, CF, F, CH and NH of β-d-Xylopyranose with the hinge region amino acids of ruminant-β-glycosidase. The interaction energy analysis was carried out in detail through various density functional studies as M062X/def2-QZVP, M062X/LANL2DZ, B3LYP/LANL2DZ and M06HF/LANL2DZ level of theories. The total interaction energy of halogen derivatives: Br, Cl, F and CF are -618.
View Article and Find Full Text PDFRSC Adv
February 2020
Laboratory of Physico-chemical of the Solid State, Department of Chemistry, Faculty of Sciences of Sfax, Université de Sfax BP 1171 3000 Sfax Tunisia +216 74 274 437 +216 98 660 026.
A slow evaporation method has permitted the crystallization of two novel crystals of (2-aminomethyl)pyridindiumdihalide CHN,2Br (1) and CHN,2Cl·HO (2). The structures of the prepared compounds (1) and (2) were elucidated by single-crystal X-ray diffraction which revealed that they crystallize, respectively, with triclinic and monoclinic symmetries. Their crystal packing was stabilized by non-covalent interactions, including N-H⋯Br, C-H⋯Br, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds.
View Article and Find Full Text PDFDalton Trans
December 2019
Department of Chemistry, Lobachevsky State University of Nizhni Novgorod, Gagarin Avenue, 23, Nizhni Novgorod, Russia.
The study of one-dimensional coordination polymers {HgClL} (1), {HgBrL} (2) and {HgClL} (3) (L = (S)P(OCH)NHCHNHP(S)(OCH) and L = (S)P(OCH)NCHNP(S)(OCH)) is the first such structural study of Hg(ii) coordination polymers with (O)(N)PS-based ligands. The mercury atoms adopt a distorted trigonal pyramidal environment, Hg(Cl)(S) for 1 and 3 and Hg(Br)(S) for 2, and the difference observed in the stoichiometry of mercury halide to the thiophosphoramide ligand in 1 and 3 with respect to the one in 2 is a result of the formation of the HgCl ring, however, the molar ratio 2 : 1 of HgX (X = Cl and Br) to ligand was used for the preparation of all three complexes. The strengths of mercury-sulfur and mercury-halide covalent bonds are evaluated by theoretical calculations (QTAIM and NBO) which show their principally electrostatic nature with a partial covalent contribution.
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