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Title: Long Range van der Waals - London Dispersion Interactions For Biomolecular and Inorganic Nanoscale Assembly

Abstract

This was a collaborative project including the research of UMass (PI Adrian Parsegian) and his collaborators at University of Missouri-Kansas City (Ching). Long range interactions (LRIs) play a critical role in the formation of mesoscale self-assemblies. A thorough understanding of LRIs (including van der Waals, electrostatic and polar interactions) in inorganic and organic systems facilitates the design and construction of novel heterogeneous assemblies. Through this project, we have enhanced the understanding of LRIs in a few aspects: 1. We investigated the electronic structures and full spectral optical properties of inorganic systems AlPO4 and SiC, and analyzed the van der Waals interactions of these systems; 2. Fully retarded solutions to the Lifshitz formulations (which is used to calculate Hamaker coefficients of van der Waals interaction) for a range of new system geometries have been implemented into open-source program Gecko Hamaker, making it possible to evaluate the van der Waals interaction of complex optically and morphologically anisotropic objects such as collagen, DNA and single-walled carbon nanotubes; 3. The electronic structure and LRIs in typical biomolecular systems under various biophysical conditions were investigated comprehensively; 4. The structure-optical property relationship of some biomolecules (such as DNA oligonucleotides) were revealed. We have also demonstrated amore » LRI-driven energy harvesting self-assembly via experimental measurements and numerical modeling. This project lay the foundation for future development of heterogeneous self-assembly.« less

Authors:
 [1];  [1];  [1]
  1. Case Western Reserve Univ., Cleveland, OH (United States)
Publication Date:
Research Org.:
Case Western Reserve Univ., Cleveland, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1431216
Report Number(s):
DOE-CWRU-SC8068
DOE Contract Number:  
SC0008068
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
99 GENERAL AND MISCELLANEOUS; Long Range Interactions; van der Waals

Citation Formats

French, Roger H., Steinmetz, Nicole F., and Ma, Yingfang. Long Range van der Waals - London Dispersion Interactions For Biomolecular and Inorganic Nanoscale Assembly. United States: N. p., 2018. Web. doi:10.2172/1431216.
French, Roger H., Steinmetz, Nicole F., & Ma, Yingfang. Long Range van der Waals - London Dispersion Interactions For Biomolecular and Inorganic Nanoscale Assembly. United States. doi:10.2172/1431216.
French, Roger H., Steinmetz, Nicole F., and Ma, Yingfang. Sat . "Long Range van der Waals - London Dispersion Interactions For Biomolecular and Inorganic Nanoscale Assembly". United States. doi:10.2172/1431216. https://www.osti.gov/servlets/purl/1431216.
@article{osti_1431216,
title = {Long Range van der Waals - London Dispersion Interactions For Biomolecular and Inorganic Nanoscale Assembly},
author = {French, Roger H. and Steinmetz, Nicole F. and Ma, Yingfang},
abstractNote = {This was a collaborative project including the research of UMass (PI Adrian Parsegian) and his collaborators at University of Missouri-Kansas City (Ching). Long range interactions (LRIs) play a critical role in the formation of mesoscale self-assemblies. A thorough understanding of LRIs (including van der Waals, electrostatic and polar interactions) in inorganic and organic systems facilitates the design and construction of novel heterogeneous assemblies. Through this project, we have enhanced the understanding of LRIs in a few aspects: 1. We investigated the electronic structures and full spectral optical properties of inorganic systems AlPO4 and SiC, and analyzed the van der Waals interactions of these systems; 2. Fully retarded solutions to the Lifshitz formulations (which is used to calculate Hamaker coefficients of van der Waals interaction) for a range of new system geometries have been implemented into open-source program Gecko Hamaker, making it possible to evaluate the van der Waals interaction of complex optically and morphologically anisotropic objects such as collagen, DNA and single-walled carbon nanotubes; 3. The electronic structure and LRIs in typical biomolecular systems under various biophysical conditions were investigated comprehensively; 4. The structure-optical property relationship of some biomolecules (such as DNA oligonucleotides) were revealed. We have also demonstrated a LRI-driven energy harvesting self-assembly via experimental measurements and numerical modeling. This project lay the foundation for future development of heterogeneous self-assembly.},
doi = {10.2172/1431216},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {3}
}