PMID- 33845472
OWN - NLM
STAT- MEDLINE
DCOM- 20220208
LR  - 20220208
IS  - 1361-648X (Electronic)
IS  - 0953-8984 (Linking)
VI  - 33
IP  - 25
DP  - 2021 May 21
TI  - Role of pH in the synthesis and growth of gold nanoparticles using L-asparagine: 
      a combined experimental and simulation study.
LID - 10.1088/1361-648X/abf6e3 [doi]
AB  - The use of biomolecules as capping and reducing agents in the synthesis of 
      metallic nanoparticles constitutes a promising framework to achieve desired 
      functional properties with minimal toxicity. The system's complexity and the 
      large number of variables involved represent a challenge for theoretical and 
      experimental investigations aiming at devising precise synthesis protocols. In 
      this work, we use L-asparagine (Asn), an amino acid building block of large 
      biomolecular systems, to synthesise gold nanoparticles (AuNPs) in aqueous 
      solution at controlled pH. The use of Asn offers a primary system that allows us 
      to understand the role of biomolecules in synthesising metallic nanoparticles. 
      Our results indicate that AuNPs synthesised in acidic (pH 6) and basic (pH 9) 
      environments exhibit somewhat different morphologies. We investigate these AuNPs 
      via Raman scattering experiments and classical molecular dynamics simulations of 
      zwitterionic and anionic Asn states adsorbing on (111)-, (100)-, (110)-, and 
      (311)-oriented gold surfaces. A combined analysis suggests that the underlying 
      mechanism controlling AuNPs geometry correlates with amine's preferential 
      adsorption over ammonium groups, enhanced upon increasing pH. Our simulations 
      reveal that Asn (both zwitterionic and anionic) adsorption on gold (111) is 
      essentially different from adsorption on more open surfaces. Water molecules 
      strongly interact with the gold face-centred-cubic lattice and create traps, on 
      the more open surfaces, that prevent the Asn from diffusing. These results 
      indicate that pH is a relevant parameter in green-synthesis protocols with the 
      capability to control the nanoparticle's geometry, and pave the way to 
      computational studies exploring the effect of water monolayers on the adsorption 
      of small molecules on wet gold surfaces.
CI  - Creative Commons Attribution license.
FAU - Baez-Cruz, Ricardo
AU  - Baez-Cruz R
AUID- ORCID: 0000-0001-5315-5063
AD  - Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
AD  - Department of Physics, Faculty of Physical and Mathematical Science, University 
      of Concepcion, PO Box 160-C, Concepcion, Chile.
FAU - Baptista, Luis A
AU  - Baptista LA
AUID- ORCID: 0000-0002-1419-6070
AD  - Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
FAU - Ntim, Samuel
AU  - Ntim S
AUID- ORCID: 0000-0002-9549-0609
AD  - Institut fur Physik, Johannes Gutenberg Universitat, Staudingerweg 7, 
      55128-Mainz, Germany.
FAU - Manidurai, Paulraj
AU  - Manidurai P
AD  - Department of Physics, Faculty of Physical and Mathematical Science, University 
      of Concepcion, PO Box 160-C, Concepcion, Chile.
FAU - Espinoza, Shirly
AU  - Espinoza S
AUID- ORCID: 0000-0002-2740-7156
AD  - ELI Beamlines, Institute of Physics, Czech Academy of Science, Za Radnici 835, 
      25241 Dolni Brezany, Czech Republic.
FAU - Ramanan, Charusheela
AU  - Ramanan C
AUID- ORCID: 0000-0001-8603-6853
AD  - Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
FAU - Cortes-Huerto, Robinson
AU  - Cortes-Huerto R
AUID- ORCID: 0000-0002-4318-970X
AD  - Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
FAU - Sulpizi, Marialore
AU  - Sulpizi M
AUID- ORCID: 0000-0002-7810-3224
AD  - Institut fur Physik, Johannes Gutenberg Universitat, Staudingerweg 7, 
      55128-Mainz, Germany.
LA  - eng
PT  - Journal Article
DEP - 20210521
PL  - England
TA  - J Phys Condens Matter
JT  - Journal of physics. Condensed matter : an Institute of Physics journal
JID - 101165248
RN  - 059QF0KO0R (Water)
RN  - 7006-34-0 (Asparagine)
RN  - 7440-57-5 (Gold)
SB  - IM
MH  - *Asparagine/chemistry
MH  - *Gold
MH  - Hydrogen-Ion Concentration
MH  - *Metal Nanoparticles/chemistry
MH  - Water
OTO - NOTNLM
OT  - L-asparagine
OT  - Raman spectroscopy
OT  - density functional theory
OT  - gold nanoparticles
OT  - green-synthesis
OT  - molecular dynamics
EDAT- 2021/04/13 06:00
MHDA- 2022/02/09 06:00
CRDT- 2021/04/12 20:29
PHST- 2020/12/28 00:00 [received]
PHST- 2021/04/12 00:00 [accepted]
PHST- 2021/04/13 06:00 [pubmed]
PHST- 2022/02/09 06:00 [medline]
PHST- 2021/04/12 20:29 [entrez]
AID - 10.1088/1361-648X/abf6e3 [doi]
PST - epublish
SO  - J Phys Condens Matter. 2021 May 21;33(25). doi: 10.1088/1361-648X/abf6e3.