Matches in SemOpenAlex for { <https://semopenalex.org/work/W2333766034> ?p ?o ?g. }
- W2333766034 endingPage "4021" @default.
- W2333766034 startingPage "4010" @default.
- W2333766034 abstract "Combination of the dithiol N,N′-bis(2-mercaptoethyl)isophthalamide, abbreviated as BDTH2 and as 1, with excess H2SeO3 in aqueous acidic (pH ≈ 1) conditions resulted in precipitation of BDT(S–Se–S) (6), with a 77Se NMR chemical shift of δ = 675 ppm, and oxidized BDT. When the reaction is conducted under basic conditions Se(IV) is reduced to red Se(0) and oxidized 1. No reaction takes place between 1 and selenate (Se(VI)) under acidic or basic conditions. Compound 6 is stable in air but decomposes to red Se(0) and the disulfide BDT(S–S) (9) with heating and in basic solutions. Mechanisms and energetics of the reactions leading to 6 in aqueous solution were unraveled by extensive calculations at the ωB97X-D/aug-cc-pVTZ-PP level of theory. NMR chemical shift calculations with the gauge-independent atomic orbital (GIAO) method for dimethyl sulfoxide as solvent confirm the generation of 6 (calculated δ value = 677 ppm). These results define the conditions and limitations of using 1 for the removal of selenite from wastewaters. Compound 6 is a rare example of a bidentate selenium dithiolate and provides insight into biological selenium toxicity." @default.
- W2333766034 created "2016-06-24" @default.
- W2333766034 creator A5006633633 @default.
- W2333766034 creator A5026154227 @default.
- W2333766034 creator A5052426869 @default.
- W2333766034 creator A5086719383 @default.
- W2333766034 creator A5088275223 @default.
- W2333766034 date "2014-04-02" @default.
- W2333766034 modified "2023-10-07" @default.
- W2333766034 title "Removal of Selenite from Water Using a Synthetic Dithiolate: An Experimental and Quantum Chemical Investigation" @default.
- W2333766034 cites W1509638576 @default.
- W2333766034 cites W1965017499 @default.
- W2333766034 cites W1969251232 @default.
- W2333766034 cites W1976609342 @default.
- W2333766034 cites W1978849007 @default.
- W2333766034 cites W1979272371 @default.
- W2333766034 cites W1979844146 @default.
- W2333766034 cites W1981429187 @default.
- W2333766034 cites W1981594485 @default.
- W2333766034 cites W1982855958 @default.
- W2333766034 cites W1989224265 @default.
- W2333766034 cites W1994240164 @default.
- W2333766034 cites W1997036033 @default.
- W2333766034 cites W1997151511 @default.
- W2333766034 cites W2000798385 @default.
- W2333766034 cites W2005877813 @default.
- W2333766034 cites W2017354934 @default.
- W2333766034 cites W2019298421 @default.
- W2333766034 cites W2034294764 @default.
- W2333766034 cites W2037537817 @default.
- W2333766034 cites W2038968219 @default.
- W2333766034 cites W2048026451 @default.
- W2333766034 cites W2052428841 @default.
- W2333766034 cites W2067114364 @default.
- W2333766034 cites W2068654098 @default.
- W2333766034 cites W2069006374 @default.
- W2333766034 cites W2070203126 @default.
- W2333766034 cites W2070726082 @default.
- W2333766034 cites W2070884923 @default.
- W2333766034 cites W2075711588 @default.
- W2333766034 cites W2084619794 @default.
- W2333766034 cites W2084641004 @default.
- W2333766034 cites W2087574205 @default.
- W2333766034 cites W2088889267 @default.
- W2333766034 cites W2089339467 @default.
- W2333766034 cites W2112850441 @default.
- W2333766034 cites W2134945219 @default.
- W2333766034 cites W2141364483 @default.
- W2333766034 cites W2315698350 @default.
- W2333766034 cites W2318162403 @default.
- W2333766034 cites W2325653612 @default.
- W2333766034 cites W2331368237 @default.
- W2333766034 cites W2336234815 @default.
- W2333766034 cites W2502690355 @default.
- W2333766034 cites W2503005323 @default.
- W2333766034 cites W2949253134 @default.
- W2333766034 cites W2951589470 @default.
- W2333766034 cites W4240035468 @default.
- W2333766034 cites W4298893949 @default.
- W2333766034 doi "https://doi.org/10.1021/ic402909t" @default.
- W2333766034 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24694110" @default.
- W2333766034 hasPublicationYear "2014" @default.
- W2333766034 type Work @default.
- W2333766034 sameAs 2333766034 @default.
- W2333766034 citedByCount "8" @default.
- W2333766034 countsByYear W23337660342014 @default.
- W2333766034 countsByYear W23337660342015 @default.
- W2333766034 countsByYear W23337660342017 @default.
- W2333766034 countsByYear W23337660342018 @default.
- W2333766034 countsByYear W23337660342019 @default.
- W2333766034 countsByYear W23337660342020 @default.
- W2333766034 countsByYear W23337660342023 @default.
- W2333766034 crossrefType "journal-article" @default.
- W2333766034 hasAuthorship W2333766034A5006633633 @default.
- W2333766034 hasAuthorship W2333766034A5026154227 @default.
- W2333766034 hasAuthorship W2333766034A5052426869 @default.
- W2333766034 hasAuthorship W2333766034A5086719383 @default.
- W2333766034 hasAuthorship W2333766034A5088275223 @default.
- W2333766034 hasConcept C111429119 @default.
- W2333766034 hasConcept C147597530 @default.
- W2333766034 hasConcept C147789679 @default.
- W2333766034 hasConcept C178790620 @default.
- W2333766034 hasConcept C179104552 @default.
- W2333766034 hasConcept C184651966 @default.
- W2333766034 hasConcept C185592680 @default.
- W2333766034 hasConcept C2778448320 @default.
- W2333766034 hasConcept C2780347965 @default.
- W2333766034 hasConcept C2780471494 @default.
- W2333766034 hasConcept C2991951333 @default.
- W2333766034 hasConcept C32909587 @default.
- W2333766034 hasConcept C553756173 @default.
- W2333766034 hasConceptScore W2333766034C111429119 @default.
- W2333766034 hasConceptScore W2333766034C147597530 @default.
- W2333766034 hasConceptScore W2333766034C147789679 @default.
- W2333766034 hasConceptScore W2333766034C178790620 @default.
- W2333766034 hasConceptScore W2333766034C179104552 @default.
- W2333766034 hasConceptScore W2333766034C184651966 @default.
- W2333766034 hasConceptScore W2333766034C185592680 @default.