Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Peter R. Tentscher"'
Autor:
Holger V. Lutze, Sungeun Lim, Winfried Schmidt, Peter R. Tentscher, Daniel Rentsch, Erika Reisz, Sarah Willach, Mohammad Sajjad Abdighahroudi, Agnes Tekle-Röttering, Thorsten C. Schmidt, Christa S. McArdell, Urs von Gunten
Publikováno v:
Tekle-Röttering, A, Lim, S, Reisz, E, Lutze, H, Abdighahroudi, M S, Willach, S, Schmidt, W, Tentscher, P R, Rentsch, D, McArdell, C S, Schmidt, T C & von Gunten, U 2020, ' Reactions of pyrrole, imidazole, and pyrazole with ozone : Kinetics and mechanisms ', Environmental Science: Water Research and Technology, vol. 6, no. 4, pp. 976-992 . https://doi.org/10.1039/C9EW01078E
Five-membered nitrogen-containing heterocyclic compounds (azoles) belong to potential moieties in complex structures where transformations during ozonation can occur. This study focused on the azole-ozone chemistry of pyrrole, imidazole, and pyrazole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80ea5b519132597e9016d9ec77543361
https://doi.org/10.1039/c9ew01078e
https://doi.org/10.1039/c9ew01078e
Publikováno v:
Kharel, S, Tentscher, P R & Bester, K 2022, ' Further transformation of the primary ozonation products of tramadol-and venlafaxine N-oxide : Mechanistic and structural considerations ', Science of the Total Environment, vol. 845, 157259 . https://doi.org/10.1016/j.scitotenv.2022.157259
Kharel, S, Tentscher, P R & Bester, K 2022, ' Further transformation of the primary ozonation products of tramadol-and venlafaxine N-oxide : Mechanistic and structural considerations ', Science of the total Environment, vol. 845, 157259 . https://doi.org/10.1016/j.scitotenv.2022.157259
Kharel, S, Tentscher, P R & Bester, K 2022, ' Further transformation of the primary ozonation products of tramadol-and venlafaxine N-oxide : Mechanistic and structural considerations ', Science of the total Environment, vol. 845, 157259 . https://doi.org/10.1016/j.scitotenv.2022.157259
Ozonation has been used to effectively remove micropollutants from the secondary effluent in several wastewater treatment plants. It is known that ozonation transforms tertiary amine compounds into their respective N-oxides, however in an earlier stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::970e2cd28f7de508809ef687a6183cb6
https://pubmed.ncbi.nlm.nih.gov/35817117
https://pubmed.ncbi.nlm.nih.gov/35817117
Autor:
Maria König, Kristin Schirmer, Rita Schlichting, Nadine Bramaz, Peter R. Tentscher, Beate I. Escher, Urs von Gunten
Publikováno v:
Tentscher, P R, Escher, B I, Schlichting, R, König, M, Bramaz, N, Schirmer, K & von Gunten, U 2021, ' Toxic effects of substituted p-benzoquinones and hydroquinones in in vitro bioassays are altered by reactions with the cell assay medium ', Water Research, vol. 202, 117415 . https://doi.org/10.1016/j.watres.2021.117415
Water Research, 202
Water Research, 202
Substituted para-benzoquinones and hydroquinones are ubiquitous transformation products that arise during oxidative water treatment of phenolic precursors, for example through ozonation or chlorination. The benzoquinone structural motive is associate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b53befea9bed38dd849ecd12e1082e4c
https://vbn.aau.dk/ws/files/468231013/1_s2.0_S0043135421006138_main.pdf
https://vbn.aau.dk/ws/files/468231013/1_s2.0_S0043135421006138_main.pdf
Publikováno v:
Tentscher, P R, Lee, M & von Gunten, U 2019, ' Micropollutant Oxidation Studied by Quantum Chemical Computations : Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms ', Accounts of Chemical Research, vol. 52, no. 3, pp. 605-614 . https://doi.org/10.1021/acs.accounts.8b00610
ConspectusThe abatement of organic micropollutants during oxidation processes has become an emerging issue for various urban water systems such as drinking water, wastewater, and water reuse. Reaction kinetics and mechanisms play an important role in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::686ff64098a8c9a9c7222b541d19ae01
https://doi.org/10.1021/acs.accounts.8b00610
https://doi.org/10.1021/acs.accounts.8b00610
Publikováno v:
The Journal of Physical Chemistry A. 123:517-536
Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to es
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59b52319c6f8290b4675bda36e731cbc
https://doi.org/10.1021/acs.jpca.8b10323
https://doi.org/10.1021/acs.jpca.8b10323
Publikováno v:
Environmental sciencetechnology. 52(8)
Phenolic moieties are common functional groups in organic micropollutants and in dissolved organic matter, and are exposed to ozone during drinking water and wastewater ozonation. Although unsubstituted phenol is known to yield potentially genotoxic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e063d07ea328c1dc6a013e4ae7171a2
https://pubmed.ncbi.nlm.nih.gov/29560712
https://pubmed.ncbi.nlm.nih.gov/29560712
Publikováno v:
The Journal of Physical Chemistry B. 119:238-256
To study the influence of aqueous solvent on the electronic energy levels of dissolved organic molecules, we conducted liquid microjet photoelectron spectroscopy PES measurements of the aqueous vertical ionization energies VIEaq of aniline 7.49 eV ,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a2133c601aa64f5b430907958d6a45d
https://doi.org/10.1021/jp508053m
https://doi.org/10.1021/jp508053m
Publikováno v:
Chemistry - A European Journal. 19:11216-11223
Sulfonamide antibiotics are an important class of organic micropollutants in the aquatic environment. For several, sulfur dioxide extrusion products have been previously reported upon photochemical or dark oxidation. Using quantum chemical modeling c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47f5a651ed23db50024327616a07743f
https://doi.org/10.1002/chem.201204005
https://doi.org/10.1002/chem.201204005
Publikováno v:
Environmental Science & Technology. 47:1330-1338
HOBr, formed via oxidation of bromide by free available chlorine (FAC), is frequently assumed to be the sole species responsible for generating brominated disinfection byproducts (DBPs). Our studies reveal that BrCl, Br2, BrOCl, and Br2O can also ser
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3d9fcf4b0029d9328b6caff831c01d9
https://doi.org/10.1021/es302730h
https://doi.org/10.1021/es302730h
Autor:
J. Samuel Arey, Peter R. Tentscher
Publikováno v:
Journal of Chemical Theory and Computation. 8:2165-2179
We generated a new set of reference geometries of small radicals using experimental equilibrium structures, as well as a benchmark-quality coupled cluster additivity scheme including up to quadruples excitations (CCSDTQ). Using these geometries and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da9de121064d9ef70c4846b915837e06
https://doi.org/10.1021/ct300194x
https://doi.org/10.1021/ct300194x