Matches in SemOpenAlex for { <https://semopenalex.org/work/W3114565730> ?p ?o ?g. }
Showing items 1 to 78 of
78
with 100 items per page.
- W3114565730 abstract "Abstract Water contamination because of dyeing industry is the matter of environmental chaoes since enormous amount of effluent is released into the water bodies. The dye effluent is highly toxic in nature as it contains high suspended solid, dye and chemicals along with high concentration of heavy metals like Cu, Cd, Zn Ni and Pb. Particularly, the halogenated carbazoles released as by products either by direct halogenation of carbazole or through a condensation reaction of a halogen-containing precursor compound are of major threat to ecosystem. When directly exposed, they cause skin irritation and other genetic disorders which makes them topic of medical importance. Here two carbazole derivatives 2-bromo-9H carbazole and 2,7 dibromo-9H carbazole are chosen for theoretical investigation of their structural property to understand their reactivity through geometry optimization, orbital occupancy via electron localization assessment, electrostatic properties and molecular descriptors using density functional theory. Further, the compounds are subjected to docking studies to find their binding affinity towards human serum albumin, a 66.5 kDa protein synthesized in liver." @default.
- W3114565730 created "2021-01-05" @default.
- W3114565730 creator A5030339091 @default.
- W3114565730 creator A5061466151 @default.
- W3114565730 creator A5069975547 @default.
- W3114565730 creator A5072440234 @default.
- W3114565730 date "2021-01-01" @default.
- W3114565730 modified "2023-10-17" @default.
- W3114565730 title "Density functional theory calculations for interactions of 2-bromo 9H carbazole and 2,7-dibromo 9H carbazole with human serum albumin" @default.
- W3114565730 cites W1965308904 @default.
- W3114565730 cites W1972818646 @default.
- W3114565730 cites W1983601631 @default.
- W3114565730 cites W2064343060 @default.
- W3114565730 cites W2069075086 @default.
- W3114565730 cites W2165419593 @default.
- W3114565730 cites W2273938306 @default.
- W3114565730 cites W2318499983 @default.
- W3114565730 cites W2745312128 @default.
- W3114565730 cites W2903152529 @default.
- W3114565730 doi "https://doi.org/10.1016/j.matpr.2020.11.257" @default.
- W3114565730 hasPublicationYear "2021" @default.
- W3114565730 type Work @default.
- W3114565730 sameAs 3114565730 @default.
- W3114565730 citedByCount "2" @default.
- W3114565730 countsByYear W31145657302023 @default.
- W3114565730 crossrefType "journal-article" @default.
- W3114565730 hasAuthorship W3114565730A5030339091 @default.
- W3114565730 hasAuthorship W3114565730A5061466151 @default.
- W3114565730 hasAuthorship W3114565730A5069975547 @default.
- W3114565730 hasAuthorship W3114565730A5072440234 @default.
- W3114565730 hasConcept C127413603 @default.
- W3114565730 hasConcept C142724271 @default.
- W3114565730 hasConcept C147455438 @default.
- W3114565730 hasConcept C147597530 @default.
- W3114565730 hasConcept C152365726 @default.
- W3114565730 hasConcept C178790620 @default.
- W3114565730 hasConcept C185592680 @default.
- W3114565730 hasConcept C204787440 @default.
- W3114565730 hasConcept C2776127813 @default.
- W3114565730 hasConcept C2776910235 @default.
- W3114565730 hasConcept C2778597219 @default.
- W3114565730 hasConcept C43617362 @default.
- W3114565730 hasConcept C65973085 @default.
- W3114565730 hasConcept C71924100 @default.
- W3114565730 hasConcept C87717796 @default.
- W3114565730 hasConceptScore W3114565730C127413603 @default.
- W3114565730 hasConceptScore W3114565730C142724271 @default.
- W3114565730 hasConceptScore W3114565730C147455438 @default.
- W3114565730 hasConceptScore W3114565730C147597530 @default.
- W3114565730 hasConceptScore W3114565730C152365726 @default.
- W3114565730 hasConceptScore W3114565730C178790620 @default.
- W3114565730 hasConceptScore W3114565730C185592680 @default.
- W3114565730 hasConceptScore W3114565730C204787440 @default.
- W3114565730 hasConceptScore W3114565730C2776127813 @default.
- W3114565730 hasConceptScore W3114565730C2776910235 @default.
- W3114565730 hasConceptScore W3114565730C2778597219 @default.
- W3114565730 hasConceptScore W3114565730C43617362 @default.
- W3114565730 hasConceptScore W3114565730C65973085 @default.
- W3114565730 hasConceptScore W3114565730C71924100 @default.
- W3114565730 hasConceptScore W3114565730C87717796 @default.
- W3114565730 hasFunder F4320320719 @default.
- W3114565730 hasLocation W31145657301 @default.
- W3114565730 hasOpenAccess W3114565730 @default.
- W3114565730 hasPrimaryLocation W31145657301 @default.
- W3114565730 hasRelatedWork W16758631 @default.
- W3114565730 hasRelatedWork W2026595 @default.
- W3114565730 hasRelatedWork W23269876 @default.
- W3114565730 hasRelatedWork W24194695 @default.
- W3114565730 hasRelatedWork W26224698 @default.
- W3114565730 hasRelatedWork W34862949 @default.
- W3114565730 hasRelatedWork W34874600 @default.
- W3114565730 hasRelatedWork W36374425 @default.
- W3114565730 hasRelatedWork W5605514 @default.
- W3114565730 hasRelatedWork W8298259 @default.
- W3114565730 isParatext "false" @default.
- W3114565730 isRetracted "false" @default.
- W3114565730 magId "3114565730" @default.
- W3114565730 workType "article" @default.