Probing Adsorption of Dipeptides on Anatase in H2 O and D2 O : Thermodynamics and Molecular Geometry
© 2021 Wiley-VCH GmbH..
Considering the vast importance of peptide and protein interactions with inorganic surfaces, probing hydrogen bonding during their adsorption on metal oxide surfaces is a relevant task that could shed light on the essential features of their interplay. This work is devoted to studying the dipeptides' adsorption on anatase nanoparticles (ANs) in light and heavy water to reveal differences arising upon the change of the major hydrogen bonding carrier. Thermodynamic study of six native dipeptides' adsorption on ANs in both media shows a strong influence of the solvent on the Gibbs free energy and the effect of side-chain mobile protons on the entropy of the process. The adsorption is endothermic irrespective of the medium and is entropy-driven. Computer simulations of peptide adsorption in both media shows similarity in binding via an amino group and demonstrates structural features of protonated and deuterated peptides in obtained complexes. Calculated peptide- anatase nanoparticle (AN) descriptors indicate surface oxygens as points of peptide-nanoparticle contacts.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2021 |
|---|---|
| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:22 |
|---|---|
| Enthalten in: |
Chemphyschem : a European journal of chemical physics and physical chemistry - 22(2021), 24 vom: 13. Dez., Seite 2550-2561 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Korina, Elena [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
Adsorption |
|---|
| Anmerkungen: |
Date Completed 17.12.2021 Date Revised 17.12.2021 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
|---|
| doi: |
10.1002/cphc.202100540 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM331502976 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM331502976 | ||
| 003 | DE-627 | ||
| 005 | 20231225213615.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231225s2021 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1002/cphc.202100540 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n1104.xml |
| 035 | |a (DE-627)NLM331502976 | ||
| 035 | |a (NLM)34609055 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Korina, Elena |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Probing Adsorption of Dipeptides on Anatase in H2 O and D2 O |b Thermodynamics and Molecular Geometry |
| 264 | 1 | |c 2021 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Completed 17.12.2021 | ||
| 500 | |a Date Revised 17.12.2021 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © 2021 Wiley-VCH GmbH. | ||
| 520 | |a Considering the vast importance of peptide and protein interactions with inorganic surfaces, probing hydrogen bonding during their adsorption on metal oxide surfaces is a relevant task that could shed light on the essential features of their interplay. This work is devoted to studying the dipeptides' adsorption on anatase nanoparticles (ANs) in light and heavy water to reveal differences arising upon the change of the major hydrogen bonding carrier. Thermodynamic study of six native dipeptides' adsorption on ANs in both media shows a strong influence of the solvent on the Gibbs free energy and the effect of side-chain mobile protons on the entropy of the process. The adsorption is endothermic irrespective of the medium and is entropy-driven. Computer simulations of peptide adsorption in both media shows similarity in binding via an amino group and demonstrates structural features of protonated and deuterated peptides in obtained complexes. Calculated peptide- anatase nanoparticle (AN) descriptors indicate surface oxygens as points of peptide-nanoparticle contacts | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Research Support, Non-U.S. Gov't | |
| 650 | 4 | |a adsorption | |
| 650 | 4 | |a anatase | |
| 650 | 4 | |a deuterium oxide | |
| 650 | 4 | |a dipeptide | |
| 650 | 4 | |a nanoparticles | |
| 700 | 1 | |a Naifert, Sergey |e verfasserin |4 aut | |
| 700 | 1 | |a Palko, Nadezhda |e verfasserin |4 aut | |
| 700 | 1 | |a Grishina, Maria |e verfasserin |4 aut | |
| 700 | 1 | |a Potemkin, Vladimir |e verfasserin |4 aut | |
| 700 | 1 | |a Morozov, Roman |e verfasserin |4 aut | |
| 700 | 1 | |a Adawy, Alaa |e verfasserin |4 aut | |
| 700 | 1 | |a Merono, Rafael |e verfasserin |4 aut | |
| 700 | 1 | |a Avdin, Vyacheslav |e verfasserin |4 aut | |
| 700 | 1 | |a Schelokov, Artyom |e verfasserin |4 aut | |
| 700 | 1 | |a Popov, Vadim |e verfasserin |4 aut | |
| 700 | 1 | |a Bol'shakov, Oleg |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Chemphyschem : a European journal of chemical physics and physical chemistry |d 2000 |g 22(2021), 24 vom: 13. Dez., Seite 2550-2561 |w (DE-627)NLM122233468 |x 1439-7641 |7 nnns |
| 773 | 1 | 8 | |g volume:22 |g year:2021 |g number:24 |g day:13 |g month:12 |g pages:2550-2561 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1002/cphc.202100540 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 22 |j 2021 |e 24 |b 13 |c 12 |h 2550-2561 | ||