Shih-Hsien Liu

Shih-Hsien Liu
Oak Ridge National Laboratory | ORNL · Center for Molecular Biophysics

Doctor of Philosophy
Postdoctoral Research Associate at Oak Ridge National Laboratory

About

37
Publications
4,953
Reads
How we measure 'reads'
A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text. Learn more
305
Citations
Citations since 2017
28 Research Items
274 Citations
2017201820192020202120222023020406080100
2017201820192020202120222023020406080100
2017201820192020202120222023020406080100
2017201820192020202120222023020406080100
Introduction
A research professional with chemical engineering background and experience in physical and computational chemistry for biological applications. Research interests: drug discovery, bioenergy, nanoscience, and molecular dynamics.
Additional affiliations
August 2018 - December 2018
University of Tennessee
Position
  • Lecturer
Description
  • BCMB 420/520/610, Introduction to Molecular Biophysics
January 2017 - May 2017
Pennsylvania State University
Position
  • Graduate Teaching Assistant
Description
  • CHE 470, Process Design of Chemical Plants
August 2016 - December 2016
Pennsylvania State University
Position
  • Graduate Teaching Assistant
Description
  • CHE 524, Molecular Thermodynamics and Statistical Mechanics
Education
August 2011 - August 2017
Pennsylvania State University
Field of study
  • Computational Chemistry
July 2008 - July 2010
National Taiwan University
Field of study
  • Materials Chemistry
September 2004 - June 2008
National Taiwan University
Field of study
  • Chemical Engineering

Publications

Publications (37)
Article
Full-text available
We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with...
Article
Full-text available
We use density-functional theory (DFT) and molecular dynamics (MD) to resolve the role of polyvinylpyrrolidone (PVP) in the shape-selective synthesis of Au nanostructures. Using DFT, we probe the adsorption-induced surface energies and spatially-resolved binding of PVP monomer analogs on Au(111), Au(100), and (5 × 1) Au(100)-hex. These calculations...
Article
Full-text available
CuInSe2 thin films were prepared employing nanopowders consisting of Cu–In alloys and In as the precursors of selenization. The nanopowders were synthesized via the chemical reduction method using NaBH4 as the reductant and water as the solvent. On selenization at 350 °C, CuInSe2 started to form along with the intermediate compounds of copper selen...
Article
Full-text available
Thin CuInSe2 films were synthesized via selenizing Cu-In alloy-containing precursors. The alloy nanoparticles with Cu-In and Cu2In were obtained via chemical reduction in ethylene glycol. Nanoparticles with a size around 40-60 nm were formed. The thin monophasic chalcopyrite CuInSe2 film with large grains was formed at 450 °C. Using the alloy nanop...
Article
Full-text available
Fibroblast growth factor 23 (FGF23) is a therapeutic target for treating hereditary and acquired hypophosphatemic disorders, such as X-linked hypophosphatemic (XLH) rickets and tumor-induced osteomalacia (TIO), respectively. FGF23-induced hypophosphatemia is mediated by signaling through a ternary complex formed by FGF23, the FGF receptor (FGFR), a...
Article
Full-text available
Excess fibroblast growth factor 23 (FGF23) causes hereditary hypophosphatemic rickets, such as X-linked hypophosphatemia (XLH) and tumor induced osteomalacia (TIO). A small molecule that specifically binds to FGF23 to prevent activation of the FGFR/a-Klotho complex has potential advantages over the currently approved systemically administered FGF23...
Technical Report
Full-text available
For more information about this project, please visit: https://www.energy.gov/sites/prod/files/2019/07/f64/016-Poster19-1%20-%20Innovative%20High-Feed%20Rate%20Additive%20Manufacturing%20Using%20Sustainable%20Thermoplastic%20Composites.pdf
Technical Report
Full-text available
For more information about this project, please visit: https://www.energy.gov/sites/prod/files/2019/07/f64/016-Poster19-1%20-%20Innovative%20High-Feed%20Rate%20Additive%20Manufacturing%20Using%20Sustainable%20Thermoplastic%20Composites.pdf
Technical Report
Full-text available
For more information about this project, please visit: https://www.energy.gov/sites/prod/files/2019/07/f64/016-Poster19-1%20-%20Innovative%20High-Feed%20Rate%20Additive%20Manufacturing%20Using%20Sustainable%20Thermoplastic%20Composites.pdf
Technical Report
Full-text available
For more information about this project, please visit: https://www.energy.gov/sites/prod/files/2019/07/f64/016-Poster19-1%20-%20Innovative%20High-Feed%20Rate%20Additive%20Manufacturing%20Using%20Sustainable%20Thermoplastic%20Composites.pdf
Article
Full-text available
We present a supercomputer-driven pipeline for in silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use of MD results by docking compound databases into representative protein binding-site conformations, thus taking into account the dynamic properties of the binding sites. We also des...
Preprint
Full-text available
Fibroblast growth factor 23 (FGF23) is a therapeutic target for treating hereditary and acquired hypophosphatemic disorders, such as X-linked hypophosphatemic (XLH) rickets and tumor-induced osteomalacia (TIO), respectively. FGF23-induced hypophosphatemia is mediated by signaling through a ternary complex formed by FGF23, FGF receptor (FGFR), and α...
Preprint
Full-text available
Fibroblast growth factor 23 (FGF23) is a bone-derived hormone that binds to binary FGFR/alpha-Klotho receptor complexes in the kidney tubules to inhibit phosphate reabsorption and 1,25(OH)2D production. Excess FGF23 causes X-linked hypophosphatemia (XLH) and tumor induced osteomalacia (TIO). Recently, Burosumab, an FGF23 blocking antibody, was appr...
Preprint
Full-text available
We present a supercomputer-driven pipeline for in-silico drug discovery using enhanced sampling molecular dynamics (MD) and ensemble docking. Ensemble docking makes use of MD results by docking compound databases into representative protein binding-site conformations, thus taking into account the dynamic properties of the binding sites. We also des...
Article
Full-text available
Significance The use of plant biomass for the production of fuels and chemicals is of critical economic and environmental importance, but has posed a formidable challenge, due to the recalcitrance of biomass to deconstruction. We report direct experimental and computational evidence of a simple physical chemical principle that explains the success...
Article
Full-text available
Here, we report a novel ammonia:ammonium salt solvent based pretreatment process that can rapidly dissolve crystalline cellulose into solution and eventually produce highly amorphous cellulose under near-ambient conditions. Pre-activating the cellulose I allomorph to its ammonia-cellulose swollen complex (or cellulose III allomorph) at ambient temp...
Article
Full-text available
Novel technological applications in catalysis and bactericidal formulation have emerged for Zinc oxide (ZnO) nanoparticles owing to their ability to generate reactive oxygen species by fostering H2O dissociation. Rational improvement of those properties requires a mechanistic understanding of ZnO nanoparticle reactivity, which is currently lacking....
Article
Full-text available
Huanglongbing (HLB), also known as citrus greening, is a bacterial disease that poses a devastating threat to citrus industry worldwide. To manage this disease efficiently, we developed and characterized a ternary aqueous solution (TSOL) that contains zinc nitrate, urea and hydrogen peroxide. We report that TSOL exhibits better antimicrobial activi...
Article
Full-text available
Hexadecylamine (HDA) and alkylamines, in general, are key molecules in the shape-selective synthesis of Cu nanostructures. To resolve certain aspects of these syntheses, we develop a classical many-body force field to describe the interactions of HDA with Cu surfaces. We parametrize the force field through force and energy matching to results from...
Thesis
Full-text available
Density-functional theory (DFT) and molecular dynamics (MD) were used to resolve the origins of shape-selective syntheses of {111}-faceted Au nanostructures mediated by polyvinylpyrrolidone (PVP) as well as {100}-faceted Cu nanostructures mediated by hexadecylamine(HDA) seen in experiment. For the work in PVP on Au surfaces, the hexagonal reconstru...
Patent
Full-text available
Disclosed is a method of forming IB-IIIA-VIA compounds, which comprises the steps of: forming a reactive solution containing cations of Group IB and IIIA metal; adding a reducing agent into the reactive solution for allowing the cations of Group IB and IIIA metal to be reduced into metals; drying to obtain metallic powders; and performing a thermal...
Thesis
Full-text available
CuInSe2 thin films were synthesized via selenizing the Cu-In alloys-containing precursors. The alloy nanoparticles with CuIn and Cu2In were obtained via the NaBH4-assisted chemical reduction method in ethylene glycol. The nanoparticles with a size around 40-60 nm were formed. On selenization, CuInSe2 phase started to be formed at as low as 250℃. Th...
Article
Full-text available
為了因應未來能源短缺的問題,同時尋求環境保護及永續發展的理念,利用不受地域限制且取之不盡之綠色能源太陽能變成為全球發展最熱門之話題。本文將針對染料敏化太陽電池(Dye-Sensitized Solar Cells)進行相關之介紹以及未來研究關鍵與目標,以期尋求染料敏化太陽電池研究的蓬勃發展,增進人類未來的福祉。

Network

Cited By

Projects

Projects (3)
Project
To examine the electronic and superconducting properties of 2D materials beyond graphene.
Archived project
Development of CuInSe2 thin films by selenizing Cu-In alloy nanoparticles via chemical vapor deposition (CVD) process
Archived project
Resolution of physical and chemical processes in solution-phase syntheses of nanoparticles using density-functional theory (DFT) and molecular-dynamics (MD) simulations