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Articles 1 - 8 of 8
Full-Text Articles in Physics
Single‐Molecule 3d Orientation Imaging Reveals Nanoscale Compositional Heterogeneity In Lipid Membranes, Jin Lu, Hesam Mazidi, Tianben Ding, Oumeng Zhang, Matthew D. Lew
Single‐Molecule 3d Orientation Imaging Reveals Nanoscale Compositional Heterogeneity In Lipid Membranes, Jin Lu, Hesam Mazidi, Tianben Ding, Oumeng Zhang, Matthew D. Lew
Electrical & Systems Engineering Publications and Presentations
In soft matter, thermal energy causes molecules to continuously translate and rotate, even in crowded environments, thereby impacting the spatial organization and function of most molecular assemblies, such as lipid membranes. Directly measuring the orientation and spatial organization of large collections (>3000 molecules μm−2) of single molecules with nanoscale resolution remains elusive. In this paper, we utilize SMOLM, single‐molecule orientation localization microscopy, to directly measure the orientation spectra (3D orientation plus “wobble”) of lipophilic probes transiently bound to lipid membranes, revealing that Nile red's (NR) orientation spectra are extremely sensitive to membrane chemical composition. SMOLM images resolve …
H-Atom Ladder Operator Revisited, Carl W. David
H-Atom Ladder Operator Revisited, Carl W. David
Chemistry Education Materials
An error laden note (Am. J. Phys., 34, 984,(1966)) concerning the ladder operator solution to the hydrogen atom electronic energy levels is corrected.
Designing A Reactor Chamber For Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn Merrill, Bingjie Zhang, Jerry Larue
Designing A Reactor Chamber For Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn Merrill, Bingjie Zhang, Jerry Larue
SURF Posters and Papers
Catalysis provides pathways for efficient and selective chemical reactions by lowering the energy barriers for desired products. Gold nanoparticles (AuNPs) show excellent promise as plasmonic catalysts. Plasmonic materials have localized surface plasmon resonances, oscillations of the electron bath at the surface of a nanoparticle, that generate energetically intense electric fields which rapidly decay into energetically excited electrons. The excited electrons have the potential to destabilize atoms strongly bound to the catalysts through occupation of antibonding orbitals. Tuning the antibonding orbitals to make them accessible for occupancy by electrons is achieved by coating the AuNP in a thin layer of another …
Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn E. Merrill, Bingjie Zhang, Jerry Larue
Hot Electron Chemistry On Bimetallic Plasmonic Nanoparticles, Bryn E. Merrill, Bingjie Zhang, Jerry Larue
Student Scholar Symposium Abstracts and Posters
Catalysis provides pathways for efficient and selective chemical reactions through the lowering of energy barriers for desired products. Gold nanoparticles (AuNP) show excellent promise as plasmonic catalysts. Localized surface plasmon resonances are oscillations of the electron bath at the surface of a nanoparticle that generate energetically intense electric fields and rapidly decay into energetically excited electrons. The excited electrons have the potential to destabilize strongly bound oxygen atoms through occupation of accessible anti-bonding orbitals. Tuning the anti-bonding orbitals to make them accessible for occupancy will be achieved by coating the AuNP in a thin layer of another transition metal, such …
Monitoring And Identifying The Rhodamine 6g-Hydroxide Ion Reaction Using In-Situ, Surface-Enhanced Raman Spectroscopy, Ryan Lamb
Masters Theses & Specialist Projects
An effective method for monitoring chemical reactions is necessary to better understand their mechanisms and kinetics. Effective reaction monitoring requires a spectroscopy technique with fast data acquisition, high sensitivity, structure-to-spectrum correlation, and low solvent interference. Surface-enhanced Raman spectroscopy (SERS) provides these features, which makes it a valuable tool for monitoring reactions. To obtain the Raman enhancement, metallic nanostructures typically made of silver or gold are aggregated using a salt. The nanoparticles aggregates must then be stabilized using a surfactant to use this method in situ due to eventual nanoparticle precipitation. In this study, gold nanoparticles stabilized with sodium dodecyl sulfate …
Nanoscale Colocalization Of Fluorogenic Probes Reveals The Role Of Oxygen Vacancies In The Photocatalytic Activity Of Tungsten Oxide Nanowires, Meikun Shen, Tianben Ding, Steven T. Hartman, Fudong Wang, Christina Krucylak, Zheyu Wang, Che Tan, Bo Yin, Rohan Mishra, Matthew D. Lew, Bryce Sadtler
Nanoscale Colocalization Of Fluorogenic Probes Reveals The Role Of Oxygen Vacancies In The Photocatalytic Activity Of Tungsten Oxide Nanowires, Meikun Shen, Tianben Ding, Steven T. Hartman, Fudong Wang, Christina Krucylak, Zheyu Wang, Che Tan, Bo Yin, Rohan Mishra, Matthew D. Lew, Bryce Sadtler
Electrical & Systems Engineering Publications and Presentations
Defect engineering is a strategy that has been widely used to design active semiconductor photocatalysts. However, understanding the role of defects, such as oxygen vacancies, in controlling photocatalytic activity remains a challenge. Here, we report the use of chemically triggered fluorogenic probes to study the spatial distribution of active regions in individual tungsten oxide nanowires using super-resolution fluorescence microscopy. The nanowires show significant heterogeneity along their lengths for the photocatalytic generation of hydroxyl radicals. Through quantitative, coordinate-based colocalization of multiple probe molecules activated by the same nanowires, we demonstrate that the nanoscale regions most active for the photocatalytic generation of …
Development Of A Novel Highly-Sensitive Brucellosis Sensor Based On Surface Plasmon Resonance Spectroscopy, Amal Kasry, Ihab Adly, Asharf Sayour, Hossam Sayour
Development Of A Novel Highly-Sensitive Brucellosis Sensor Based On Surface Plasmon Resonance Spectroscopy, Amal Kasry, Ihab Adly, Asharf Sayour, Hossam Sayour
Nanotechnology Research Centre
Brucellosis is considered a significant health threat, it is an infectious disease caused by the bacteria Brucella, which can spread from animals to humans causing severe diseases. Through this project, we aim to develop a very highly sensitive biosensor to detect Brucella early before spreading. This sensor is based on surface plasmon resonance (SPR) technique, which is used to analyze kinetics of interaction between biomolecules. It can detect down to picomolar concentrations of some proteins.
Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
Recent Developments In The Pyscf Program Package, Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Gun, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. Mcclain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira R. Sayfutyarova, Maximillian Scheurer, Henry F. Schurkus, James E.T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
University Administration Publications
PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment. We then summarize the capabilities of PySCF for molecular and solid-state simulations. Finally, we describe the growing ecosystem of projects that use PySCF across the domains of quantum chemistry, materials science, machine learning, and …