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Full-Text Articles in Physical Chemistry
Temperature-Dependent Exciton Dynamics Of Superacid Treatment In Monolayers Of The Metal Dichalcogenide Mos2, Mingwei Zhou, Long Yuan, Jordan Snaider, Libai Huang
Temperature-Dependent Exciton Dynamics Of Superacid Treatment In Monolayers Of The Metal Dichalcogenide Mos2, Mingwei Zhou, Long Yuan, Jordan Snaider, Libai Huang
The Summer Undergraduate Research Fellowship (SURF) Symposium
To improve optoelectronic semiconductor materials, one of the most efficient research areas is the two-dimensional (2D) transition-metal dichalocogenides (TMDCs). It has been shown that organic nonoxidizing superacid bis(trifluoromethane)sulfonamide (TFSI) treatment of molybdenum disulfide (MoS2) monolayer could uniformly enhance its photoluminescence by more than two orders of magnitude and also extend the lifetime of excitons. This could greatly improve the efficiency of the solar energy usage, but the mechanism behind it has not been fully understood. Extreme low temperatures (approximately 7K), which slow the surface exciton mobility, were applied to investigate the changes of treated MoS2 monolayer surfaces. …
Applying Machine Learning To Computational Chemistry: Can We Predict Molecular Properties Faster Without Compromising Accuracy?, Hanjing Xu, Pradeep Gurunathan, Lyudmila Slipchenko
Applying Machine Learning To Computational Chemistry: Can We Predict Molecular Properties Faster Without Compromising Accuracy?, Hanjing Xu, Pradeep Gurunathan, Lyudmila Slipchenko
The Summer Undergraduate Research Fellowship (SURF) Symposium
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions using quantum-mechanical formulations. Our group has proposed previously that the effective fragment potential (EFP) method could serve as an efficient alternative to solve this problem. However, one of the computational bottlenecks of the EFP method is obtaining parameters for each molecule/fragment in the system, before the actual EFP simulations can be carried out. Here we present a …
Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds, Sergei Shmakov, Daniel A. Hartzler, Alireza Karbakhsh Ravari, Yulia Pushkar
Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds, Sergei Shmakov, Daniel A. Hartzler, Alireza Karbakhsh Ravari, Yulia Pushkar
The Summer Undergraduate Research Fellowship (SURF) Symposium
Photosynthesis is the basis of life on earth, and oxygen evolution catalysts are key components of this complicated, yet not fully understood process. Photosystem II, a large membrane bound pigment-protein complex, is the key system that facilitates oxygenic photosynthesis via the oxygen evolving complex (a natural oxygen evolving catalyst). It is a key component in oxygen producing catalysts, which can be used in fields such as energy production and biomimetic catalysts. The oxygen evolution cycle, or Kok cycle going within it is still not studied completely. In this project, we were studying the vibrational (and structural) state of a Manganese …
A Computational Approach To Studying The Properties Of Photosensitizers In Photodynamic Therapy, Keenan Komoto
A Computational Approach To Studying The Properties Of Photosensitizers In Photodynamic Therapy, Keenan Komoto
Graduate Student Symposium
Cancer has long been a significant problem that has affected our world’s population for years and continues to this day. With the number of cases expected to increase annually there is a societal pressure to find effective treatment methods for eliminating cancer. Current forms of cancer treatment tend to cause detrimental effects to the human body and are usually quite expensive and long lasting, some costing upwards of $30,000 over an 8 week period. A more recently established form of cancer treatment known as photodynamic therapy is an effective treatment option for ridding cancers that lie on or just below …
Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic
Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic
Georgia College Student Research Events
Bromophenol blue is a common pH indicator and dye used in many different industries. Once a solution of bromophenol blue is placed in a concentrated basic solution, the color fades from a blue/violet color to clear solution with a pH of 4.6 or greater. The rate law of the reaction is analyzed through the use of a small footprint visible-near-infrared spectrometer (Vis-NIR) with a diode array detector. An absorbance wavelength of 590 nm as a function of time was collected using Ocean Optics OceanView software. The results contained in the data collection file are exported to a spreadsheet for further …
Characterization Of Α-Anomeric Damaged Dna In Complex With Endonuclease Iv Using Fluorescence Resonance Energy Transfer (Fret), Beatrice Edjah
Characterization Of Α-Anomeric Damaged Dna In Complex With Endonuclease Iv Using Fluorescence Resonance Energy Transfer (Fret), Beatrice Edjah
Georgia State Undergraduate Research Conference
No abstract provided.
Synthesis Of 1-Phenyl-3,5-Diaryl-4-Bromopyrazoles, 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromopyrazoles, And 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromoisoxazoles., Keren Antoine, Anne K. Jean, Roseleen Almenord, Sierra A. Fleming, Titilope Akinwe, Paula Garzon, Julio C. Falcon
Synthesis Of 1-Phenyl-3,5-Diaryl-4-Bromopyrazoles, 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromopyrazoles, And 1-Phenyl-3-T-Butyl-5-Aryl-4-Bromoisoxazoles., Keren Antoine, Anne K. Jean, Roseleen Almenord, Sierra A. Fleming, Titilope Akinwe, Paula Garzon, Julio C. Falcon
Georgia State Undergraduate Research Conference
No abstract provided.
Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon
Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon
Georgia State Undergraduate Research Conference
No abstract provided.
Hydration Site Of Cyclophilin A And Its Allosteric Effects On The Enzyme's Function, Abdullah Shouaib, Jonathan Lopez
Hydration Site Of Cyclophilin A And Its Allosteric Effects On The Enzyme's Function, Abdullah Shouaib, Jonathan Lopez
Georgia State Undergraduate Research Conference
No abstract provided.