Matches in SemOpenAlex for { <https://semopenalex.org/work/W183977170> ?p ?o ?g. }
Showing items 1 to 73 of
73
with 100 items per page.
- W183977170 abstract "This thesis reports computational studies about protein-ion binding in part I, andoptical properties of organic materials in part II.It is very difficult to investigate a whole protein computationally. So here I proposedsmaller models to probe protein-ion binding: a short triple helix (triple chain),a short peptide chain, and individual amino acids. The binding energies, and particularlythe differences in binding energy between Na⁺ and K⁺ ions, do depend on themodel and the constraints. I have applied these models to understand experimentalobservations about the distinct roles of Na⁺ and K⁺ in collagen aggregation and fibrillogenesis.I have calculated the binding energies for the Na⁺ and K⁺ with severalkey amino acids in collagen, selected by analysis of collagen sequence, using densityfunctional theory (DFT).In part II, I have focused on first and second hyperpolarizabilities of anthraquinoidtypeπ-extended tetrathiafulvalene, referred to as TTFAQ, and its analogues. Thisproject has employed a wide range of functional groups to exploit the electron donorcapability of TTFAQ in order to explore the hyperpolarizabilities of its derivatives. Ihave assessed size and charge distribution metrics as predictors for NLO response ofthe TTFAQ derivatives." @default.
- W183977170 created "2016-06-24" @default.
- W183977170 creator A5011019780 @default.
- W183977170 date "2014-05-01" @default.
- W183977170 modified "2023-09-24" @default.
- W183977170 title "A computational study of biological and opticalmaterials" @default.
- W183977170 hasPublicationYear "2014" @default.
- W183977170 type Work @default.
- W183977170 sameAs 183977170 @default.
- W183977170 citedByCount "0" @default.
- W183977170 crossrefType "dissertation" @default.
- W183977170 hasAuthorship W183977170A5011019780 @default.
- W183977170 hasConcept C10919887 @default.
- W183977170 hasConcept C121332964 @default.
- W183977170 hasConcept C145148216 @default.
- W183977170 hasConcept C147259501 @default.
- W183977170 hasConcept C147597530 @default.
- W183977170 hasConcept C152365726 @default.
- W183977170 hasConcept C178790620 @default.
- W183977170 hasConcept C184779094 @default.
- W183977170 hasConcept C185592680 @default.
- W183977170 hasConcept C27523624 @default.
- W183977170 hasConcept C2778421084 @default.
- W183977170 hasConcept C32909587 @default.
- W183977170 hasConcept C515207424 @default.
- W183977170 hasConcept C55493867 @default.
- W183977170 hasConcept C71240020 @default.
- W183977170 hasConcept C8010536 @default.
- W183977170 hasConcept C93282013 @default.
- W183977170 hasConceptScore W183977170C10919887 @default.
- W183977170 hasConceptScore W183977170C121332964 @default.
- W183977170 hasConceptScore W183977170C145148216 @default.
- W183977170 hasConceptScore W183977170C147259501 @default.
- W183977170 hasConceptScore W183977170C147597530 @default.
- W183977170 hasConceptScore W183977170C152365726 @default.
- W183977170 hasConceptScore W183977170C178790620 @default.
- W183977170 hasConceptScore W183977170C184779094 @default.
- W183977170 hasConceptScore W183977170C185592680 @default.
- W183977170 hasConceptScore W183977170C27523624 @default.
- W183977170 hasConceptScore W183977170C2778421084 @default.
- W183977170 hasConceptScore W183977170C32909587 @default.
- W183977170 hasConceptScore W183977170C515207424 @default.
- W183977170 hasConceptScore W183977170C55493867 @default.
- W183977170 hasConceptScore W183977170C71240020 @default.
- W183977170 hasConceptScore W183977170C8010536 @default.
- W183977170 hasConceptScore W183977170C93282013 @default.
- W183977170 hasLocation W1839771701 @default.
- W183977170 hasOpenAccess W183977170 @default.
- W183977170 hasPrimaryLocation W1839771701 @default.
- W183977170 hasRelatedWork W1536331721 @default.
- W183977170 hasRelatedWork W1975774310 @default.
- W183977170 hasRelatedWork W1984318965 @default.
- W183977170 hasRelatedWork W1999434027 @default.
- W183977170 hasRelatedWork W2012068477 @default.
- W183977170 hasRelatedWork W2020055269 @default.
- W183977170 hasRelatedWork W2044656372 @default.
- W183977170 hasRelatedWork W2045511534 @default.
- W183977170 hasRelatedWork W2049141493 @default.
- W183977170 hasRelatedWork W2073984290 @default.
- W183977170 hasRelatedWork W2081069235 @default.
- W183977170 hasRelatedWork W2116929165 @default.
- W183977170 hasRelatedWork W2163657045 @default.
- W183977170 hasRelatedWork W2292084800 @default.
- W183977170 hasRelatedWork W2318368399 @default.
- W183977170 hasRelatedWork W2619205025 @default.
- W183977170 hasRelatedWork W2754516115 @default.
- W183977170 hasRelatedWork W2973425721 @default.
- W183977170 hasRelatedWork W313373174 @default.
- W183977170 hasRelatedWork W3184448036 @default.
- W183977170 isParatext "false" @default.
- W183977170 isRetracted "false" @default.
- W183977170 magId "183977170" @default.
- W183977170 workType "dissertation" @default.