Matches in SemOpenAlex for { <https://semopenalex.org/work/W2220774744> ?p ?o ?g. }
- W2220774744 endingPage "548" @default.
- W2220774744 startingPage "540" @default.
- W2220774744 abstract "Peptide-enabled nanoparticle (NP) synthesis routes can create and/or assemble functional nanomaterials under environmentally friendly conditions, with properties dictated by complex interactions at the biotic/abiotic interface. Manipulation of this interface through sequence modification can provide the capability for material properties to be tailored to create enhanced materials for energy, catalysis, and sensing applications. Fully realizing the potential of these materials requires a comprehensive understanding of sequence-dependent structure/function relationships that is presently lacking. In this work, the atomic-scale structures of a series of peptide-capped Au NPs are determined using a combination of atomic pair distribution function analysis of high-energy X-ray diffraction data and advanced molecular dynamics (MD) simulations. The Au NPs produced with different peptide sequences exhibit varying degrees of catalytic activity for the exemplar reaction 4-nitrophenol reduction. The experimentally derived atomic-scale NP configurations reveal sequence-dependent differences in structural order at the NP surface. Replica exchange with solute-tempering MD simulations are then used to predict the morphology of the peptide overlayer on these Au NPs and identify factors determining the structure/catalytic properties relationship. We show that the amount of exposed Au surface, the underlying surface structural disorder, and the interaction strength of the peptide with the Au surface all influence catalytic performance. A simplified computational prediction of catalytic performance is developed that can potentially serve as a screening tool for future studies. Our approach provides a platform for broadening the analysis of catalytic peptide-enabled metallic NP systems, potentially allowing for the development of rational design rules for property enhancement." @default.
- W2220774744 created "2016-06-24" @default.
- W2220774744 creator A5011501359 @default.
- W2220774744 creator A5031399084 @default.
- W2220774744 creator A5048884097 @default.
- W2220774744 creator A5050556980 @default.
- W2220774744 creator A5053769720 @default.
- W2220774744 creator A5059358267 @default.
- W2220774744 creator A5060108388 @default.
- W2220774744 creator A5064190196 @default.
- W2220774744 creator A5064968285 @default.
- W2220774744 creator A5076295398 @default.
- W2220774744 creator A5089608210 @default.
- W2220774744 date "2015-12-17" @default.
- W2220774744 modified "2023-10-16" @default.
- W2220774744 title "Sequence-Dependent Structure/Function Relationships of Catalytic Peptide-Enabled Gold Nanoparticles Generated under Ambient Synthetic Conditions" @default.
- W2220774744 cites W1490594935 @default.
- W2220774744 cites W1966078827 @default.
- W2220774744 cites W1966524950 @default.
- W2220774744 cites W1977062440 @default.
- W2220774744 cites W1980708713 @default.
- W2220774744 cites W1982090533 @default.
- W2220774744 cites W1986998539 @default.
- W2220774744 cites W1988305013 @default.
- W2220774744 cites W1988365420 @default.
- W2220774744 cites W1991225294 @default.
- W2220774744 cites W1991712186 @default.
- W2220774744 cites W1994577846 @default.
- W2220774744 cites W1997217757 @default.
- W2220774744 cites W1997833832 @default.
- W2220774744 cites W1999097992 @default.
- W2220774744 cites W1999735687 @default.
- W2220774744 cites W2004840370 @default.
- W2220774744 cites W2007091189 @default.
- W2220774744 cites W2008332643 @default.
- W2220774744 cites W2008431529 @default.
- W2220774744 cites W2010228891 @default.
- W2220774744 cites W2012016586 @default.
- W2220774744 cites W2018706792 @default.
- W2220774744 cites W2032950021 @default.
- W2220774744 cites W2039277063 @default.
- W2220774744 cites W2040175525 @default.
- W2220774744 cites W2040818206 @default.
- W2220774744 cites W2044376654 @default.
- W2220774744 cites W2046991096 @default.
- W2220774744 cites W2052566608 @default.
- W2220774744 cites W2055167107 @default.
- W2220774744 cites W2056760934 @default.
- W2220774744 cites W2061266901 @default.
- W2220774744 cites W2066927497 @default.
- W2220774744 cites W2070673696 @default.
- W2220774744 cites W2079160563 @default.
- W2220774744 cites W2088170977 @default.
- W2220774744 cites W2089284700 @default.
- W2220774744 cites W2096179028 @default.
- W2220774744 cites W2116999379 @default.
- W2220774744 cites W2119580588 @default.
- W2220774744 cites W2126910772 @default.
- W2220774744 cites W2126961173 @default.
- W2220774744 cites W2129114560 @default.
- W2220774744 cites W2130892963 @default.
- W2220774744 cites W2136373500 @default.
- W2220774744 cites W2137758870 @default.
- W2220774744 cites W2138849700 @default.
- W2220774744 cites W2140627381 @default.
- W2220774744 cites W2141963102 @default.
- W2220774744 cites W2168643525 @default.
- W2220774744 cites W2314636529 @default.
- W2220774744 cites W2318681130 @default.
- W2220774744 cites W2327793718 @default.
- W2220774744 cites W4238327249 @default.
- W2220774744 cites W4362235795 @default.
- W2220774744 doi "https://doi.org/10.1021/jacs.5b09529" @default.
- W2220774744 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26679562" @default.
- W2220774744 hasPublicationYear "2015" @default.
- W2220774744 type Work @default.
- W2220774744 sameAs 2220774744 @default.
- W2220774744 citedByCount "77" @default.
- W2220774744 countsByYear W22207747442016 @default.
- W2220774744 countsByYear W22207747442017 @default.
- W2220774744 countsByYear W22207747442018 @default.
- W2220774744 countsByYear W22207747442019 @default.
- W2220774744 countsByYear W22207747442020 @default.
- W2220774744 countsByYear W22207747442021 @default.
- W2220774744 countsByYear W22207747442022 @default.
- W2220774744 countsByYear W22207747442023 @default.
- W2220774744 crossrefType "journal-article" @default.
- W2220774744 hasAuthorship W2220774744A5011501359 @default.
- W2220774744 hasAuthorship W2220774744A5031399084 @default.
- W2220774744 hasAuthorship W2220774744A5048884097 @default.
- W2220774744 hasAuthorship W2220774744A5050556980 @default.
- W2220774744 hasAuthorship W2220774744A5053769720 @default.
- W2220774744 hasAuthorship W2220774744A5059358267 @default.
- W2220774744 hasAuthorship W2220774744A5060108388 @default.
- W2220774744 hasAuthorship W2220774744A5064190196 @default.
- W2220774744 hasAuthorship W2220774744A5064968285 @default.
- W2220774744 hasAuthorship W2220774744A5076295398 @default.
- W2220774744 hasAuthorship W2220774744A5089608210 @default.