FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2625821692> ?p ?o ?g. }

• W2625821692 endingPage "14165" @default.
• W2625821692 startingPage "14156" @default.
• W2625821692 abstract "The interaction of 11 amino acids with the TiO2 (101) anatase surface was investigated by means of PBE-D2* periodic simulations, both from a static and dynamic points of view. Several adsorption states, with the amino acid in its canonical, zwitterionic, or deprotonated forms, were considered. The strongest interactions correspond to dative interactions between the electron pairs of N or O atoms of the amino acids and the Ti atoms of the surface. For glycine, the most stable configuration corresponds to the deprotonated (N,O) binding mode, at variance to that observed for the adsorption of glycine on rutile (110) surface, for which the dissociative (O,O) binding mode was determined to be the preferred one. For the remaining amino acids, the following general trend was identified: those amino acids with acidic or a basic lateral chain groups, except Arg, exhibit a deprotonated (N,O) binding mode as glycine, because the additional dative interactions with the side chain overcome the destabilizing effect ind..." @default.
• W2625821692 created "2017-06-23" @default.
• W2625821692 creator A5040785850 @default.
• W2625821692 creator A5059817254 @default.
• W2625821692 creator A5079504767 @default.
• W2625821692 date "2017-06-27" @default.
• W2625821692 modified "2023-10-17" @default.
• W2625821692 title "Canonical, Deprotonated, or Zwitterionic? A Computational Study on Amino Acid Interaction with the TiO₂ (101) Anatase Surface" @default.
• W2625821692 cites W1137759576 @default.
• W2625821692 cites W1964978966 @default.
• W2625821692 cites W1968030103 @default.
• W2625821692 cites W1969360827 @default.
• W2625821692 cites W1979544533 @default.
• W2625821692 cites W1981368803 @default.
• W2625821692 cites W1986252415 @default.
• W2625821692 cites W1993092212 @default.
• W2625821692 cites W1996595845 @default.
• W2625821692 cites W2001285768 @default.
• W2625821692 cites W2004942298 @default.
• W2625821692 cites W2008997084 @default.
• W2625821692 cites W2010838225 @default.
• W2625821692 cites W2016004095 @default.
• W2625821692 cites W2017227995 @default.
• W2625821692 cites W2023575674 @default.
• W2625821692 cites W2028427331 @default.
• W2625821692 cites W2044591029 @default.
• W2625821692 cites W2047794820 @default.
• W2625821692 cites W2050040539 @default.
• W2625821692 cites W2056590066 @default.
• W2625821692 cites W2063341142 @default.
• W2625821692 cites W2066264586 @default.
• W2625821692 cites W2068688035 @default.
• W2625821692 cites W2078955554 @default.
• W2625821692 cites W2080210283 @default.
• W2625821692 cites W2083222334 @default.
• W2625821692 cites W2086418243 @default.
• W2625821692 cites W2092063097 @default.
• W2625821692 cites W2104575213 @default.
• W2625821692 cites W2108890560 @default.
• W2625821692 cites W2116220774 @default.
• W2625821692 cites W2129272337 @default.
• W2625821692 cites W2140886907 @default.
• W2625821692 cites W2161884101 @default.
• W2625821692 cites W2298739195 @default.
• W2625821692 cites W2331055230 @default.
• W2625821692 cites W2472183064 @default.
• W2625821692 cites W2808053594 @default.
• W2625821692 doi "https://doi.org/10.1021/acs.jpcc.7b03305" @default.
• W2625821692 hasPublicationYear "2017" @default.
• W2625821692 type Work @default.
• W2625821692 sameAs 2625821692 @default.
• W2625821692 citedByCount "26" @default.
• W2625821692 countsByYear W26258216922018 @default.
• W2625821692 countsByYear W26258216922019 @default.
• W2625821692 countsByYear W26258216922020 @default.
• W2625821692 countsByYear W26258216922021 @default.
• W2625821692 countsByYear W26258216922022 @default.
• W2625821692 countsByYear W26258216922023 @default.
• W2625821692 crossrefType "journal-article" @default.
• W2625821692 hasAuthorship W2625821692A5040785850 @default.
• W2625821692 hasAuthorship W2625821692A5059817254 @default.
• W2625821692 hasAuthorship W2625821692A5079504767 @default.
• W2625821692 hasConcept C118629725 @default.
• W2625821692 hasConcept C127413603 @default.
• W2625821692 hasConcept C145148216 @default.
• W2625821692 hasConcept C147597530 @default.
• W2625821692 hasConcept C159467904 @default.
• W2625821692 hasConcept C161790260 @default.
• W2625821692 hasConcept C178790620 @default.
• W2625821692 hasConcept C185592680 @default.
• W2625821692 hasConcept C192562407 @default.
• W2625821692 hasConcept C2524010 @default.
• W2625821692 hasConcept C2776799497 @default.
• W2625821692 hasConcept C2777402863 @default.
• W2625821692 hasConcept C33923547 @default.
• W2625821692 hasConcept C42360764 @default.
• W2625821692 hasConcept C515207424 @default.
• W2625821692 hasConcept C55493867 @default.
• W2625821692 hasConcept C65165184 @default.
• W2625821692 hasConceptScore W2625821692C118629725 @default.
• W2625821692 hasConceptScore W2625821692C127413603 @default.
• W2625821692 hasConceptScore W2625821692C145148216 @default.
• W2625821692 hasConceptScore W2625821692C147597530 @default.
• W2625821692 hasConceptScore W2625821692C159467904 @default.
• W2625821692 hasConceptScore W2625821692C161790260 @default.
• W2625821692 hasConceptScore W2625821692C178790620 @default.
• W2625821692 hasConceptScore W2625821692C185592680 @default.
• W2625821692 hasConceptScore W2625821692C192562407 @default.
• W2625821692 hasConceptScore W2625821692C2524010 @default.
• W2625821692 hasConceptScore W2625821692C2776799497 @default.
• W2625821692 hasConceptScore W2625821692C2777402863 @default.
• W2625821692 hasConceptScore W2625821692C33923547 @default.
• W2625821692 hasConceptScore W2625821692C42360764 @default.
• W2625821692 hasConceptScore W2625821692C515207424 @default.
• W2625821692 hasConceptScore W2625821692C55493867 @default.
• W2625821692 hasConceptScore W2625821692C65165184 @default.
• W2625821692 hasFunder F4320321505 @default.
• W2625821692 hasFunder F4320321837 @default.

• next