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J. Pablo Palafox-Hernandez
University of Kansas
12Publications
7H-index
243Citations
Publications 12
Newest
Published on Apr 4, 2019in Journal of Physical Chemistry B2.92
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(KU: University of Kansas),
Camina H. Mendis1
Estimated H-index: 1
(KU: University of Kansas)
+ 1 AuthorsBrian B. Laird32
Estimated H-index: 32
(KU: University of Kansas)
Carbon dioxide-expanded liquids (CXLs) represent an important class of reaction media that provide tunability of mass transport, solvation, and solubility. Their properties have been demonstrated to provide advantages over traditional organic solvents. However, the molecular-level effects of the CO2 expansion on the structure and dynamics of the liquid that lead to this result have not been fully explored. To address this question, we have used molecular simulations to examine the behavior of tw...
Published on Dec 7, 2016in Journal of Chemical Physics3.00
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(KU: University of Kansas),
Brian B. Laird32
Estimated H-index: 32
(KU: University of Kansas)
In this work, we examine the effect of surface structure on the heterogeneous nucleation of Pb crystals from the melt at a Cu substrate using molecular-dynamics (MD) simulation. In a previous work [Palafox-Hernandez et al., Acta Mater. 59, 3137 (2011)] studying the Cu/Pb solid-liquid interface with MD simulation, we observed that the structure of the Cu(111) and Cu(100) interfaces was significantly different at 625 K, just above the Pb melting temperature (618 K for the model). The Cu(100) inter...
Published on Jul 20, 2016in ACS Applied Materials & Interfaces8.46
Anas M. Sultan2
Estimated H-index: 2
,
Zayd C. Westcott1
Estimated H-index: 1
+ 6 AuthorsTiffany R. Walsh30
Estimated H-index: 30
A major barrier to the systematic improvement of biomimetic peptide-mediated strategies for the controlled growth of inorganic nanomaterials in environmentally benign conditions lies in the lack of clear conceptual connections between the sequence of the peptide and its surface binding affinity, with binding being facilitated by noncovalent interactions. Peptide conformation, both in the adsorbed and in the nonadsorbed state, is the key relationship that connects peptide-materials binding with p...
Published on Jan 13, 2016in ACS Applied Materials & Interfaces8.46
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(Deakin University),
Chang-Keun Lim11
Estimated H-index: 11
(UB: University at Buffalo)
+ 7 AuthorsTiffany R. Walsh30
Estimated H-index: 30
(Deakin University)
Photoresponsive molecules that incorporate peptides capable of material-specific recognition provide a basis for biomolecule-mediated control of the nucleation, growth, organization, and activation of hybrid inorganic/organic nanostructures. These hybrid molecules interact with the inorganic surface through multiple noncovalent interactions which allow reconfiguration in response to optical stimuli. Here, we quantify the binding of azobenzene-peptide conjugates that exhibit optically triggered c...
Published on Jan 1, 2016in Physical Chemistry Chemical Physics3.57
Beverly D. Briggs8
Estimated H-index: 8
(GS: Georgia Southern University),
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(Deakin University)
+ 8 AuthorsTiffany R. Walsh30
Estimated H-index: 30
(Deakin University)
Materials-binding peptides represent a unique avenue towards controlling the shape and size of nanoparticles (NPs) grown under aqueous conditions. Here, employing a bionanocombinatorics approach, two such materials-binding peptides were linked at either end of a photoswitchable spacer, forming a multi-domain materials-binding molecule to control the in situ synthesis and organization of Ag and Au NPs under ambient conditions. These multi-domain molecules retained the peptides’ ability to nucleat...
Published on Jan 1, 2016in Nanoscale6.97
Chang-Keun Lim11
Estimated H-index: 11
(UB: University at Buffalo),
Xin Li38
Estimated H-index: 38
(KTH: Royal Institute of Technology)
+ 10 AuthorsTiffany R. Walsh30
Estimated H-index: 30
(Deakin University)
Two-photon initiated photo-isomerization of an azobenzene moiety adsorbed on silver nanoparticles (Ag NPs) is demonstrated. The azobenzene is linked to a materials-binding peptide that brings it into intimate contact with the Ag NP surface, producing a dramatic enhancement of its two-photon absorbance. An integrated modeling approach, combining advanced conformational sampling with Quantum Mechanics/Capacitance Molecular Mechanics and response theory, shows that charge transfer and image charges...
Published on Jan 1, 2015in Chemical Science9.56
Louise B. Wright10
Estimated H-index: 10
(Warw.: University of Warwick),
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(Deakin University)
+ 2 AuthorsTiffany R. Walsh30
Estimated H-index: 30
(Deakin University)
Peptide sequences that can discriminate between gold facets under aqueous conditions offer a promising route to control the growth and organisation of biomimetically-synthesised gold nanoparticles. Knowledge of the interplay between sequence, conformations and interfacial properties is essential for predictable manipulation of these biointerfaces, but the structural connections between a given peptide sequence and its binding affinity remain unclear, impeding practical advances in the field. The...
Published on Jan 1, 2015in Nanoscale6.97
Zhenghua Tang24
Estimated H-index: 24
(UM: University of Miami),
Chang Keun Lim9
Estimated H-index: 9
(UB: University at Buffalo)
+ 6 AuthorsMarc R. Knecht30
Estimated H-index: 30
(UM: University of Miami)
Bio-molecular non-covalent interactions provide a powerful platform for material-specific self-organization in aqueous media. Here, we introduce a strategy that integrates a synthetic optically-responsive motif with a materials-binding peptide to enable remote actuation. Specifically, we linked a photoswitchable azobenzene moiety to either terminus of a Au-binding peptide. We employed these hybrid molecules as capping agents for synthesis of Au nanoparticles. Integrated experiments and molecular...
Published on Sep 9, 2014in Chemistry of Materials10.16
J. Pablo Palafox-Hernandez7
Estimated H-index: 7
(Deakin University),
Zhenghua Tang24
Estimated H-index: 24
(UM: University of Miami)
+ 5 AuthorsMarc R. Knecht30
Estimated H-index: 30
Controllable 3D assembly of multicomponent inorganic nanomaterials by precisely positioning two or more types of nanoparticles to modulate their interactions and achieve multifunctionality remains a major challenge. The diverse chemical and structural features of biomolecules can generate the compositionally specific organic/inorganic interactions needed to create such assemblies. Toward this aim, we studied the materials-specific binding of peptides selected based upon affinity for Ag (AgBP1 an...
Published on Jan 1, 2014
Marc R. Knecht30
Estimated H-index: 30
,
Zhenghua Tang24
Estimated H-index: 24
+ 6 AuthorsRajesh R. Naik59
Estimated H-index: 59
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