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Full-Text Articles in Chemistry

Synthesis And Characterization Of 4,6-Protected Glucosamine Derivatives And Branched Glycoconjugates, Jonathan Bietsch Dec 2021

Synthesis And Characterization Of 4,6-Protected Glucosamine Derivatives And Branched Glycoconjugates, Jonathan Bietsch

Chemistry & Biochemistry Theses & Dissertations

Low molecular weight gelators (LMWGs) are small molecules that self-assemble in appropriate solvents to form three dimensional networks that immobilize the solvent, creating a supramolecular gel. The self-assembly of LMWGs occurs through non-covalent interactions such as hydrogen bonding, aromatic interactions, donor-acceptor interactions, Van der Waals interactions, hydrophobic forces, halogen bonding, etc. Due to self-assembly occurring through reversible non-covalent interactions, supramolecular gels can undergo a gel to solution transformation. Because of this, these materials can be sensitive to external stimuli such as temperature changes, pH changes, and other stimuli that effect non-covalent interactions. This makes the synthesis of LMWG’s an appealing …


Molecular Dynamics Simulations Of Ion Transport Through Electrically Stressed Biological Membranes, Federica Castellani Jul 2021

Molecular Dynamics Simulations Of Ion Transport Through Electrically Stressed Biological Membranes, Federica Castellani

Biomedical Engineering Theses & Dissertations

The cell membrane is a selectively permeable barrier that controls the transport of ions, molecules, and other materials into and out of a cell. The manipulation of the cell membrane permeability is the basis for several biotechnological and biomedical applications, including electroporation. Electroporation (or electropermeabilization) occurs when the application of an external electric pulse causes water intrusion into the membrane interior and the formation of conductive transmembrane electropores. These electropores allow drugs, genetic material, and other normally impermeant molecules to enter a cell. Despite years of study, the complex mechanisms underlying this process are still not well understood. Molecular dynamics …


The Development Of Novel Carbohydrate-Based Gelators And Their Applications As Advanced Soft Materials, Joedian Morris Jul 2021

The Development Of Novel Carbohydrate-Based Gelators And Their Applications As Advanced Soft Materials, Joedian Morris

Chemistry & Biochemistry Theses & Dissertations

Low molecular weight gelators (LMWGs) are attractive molecules that have been explored extensively due to their practical applications in many disciplines. These small molecules self-assemble forming solid-like gels via three-dimensional cross-linked networks with the solvent as the key component within the matrix. Carbohydrate-based LMWGs are small molecules that can form solid-like gels in water, organic solvents, and aqueous solutions. They have great potential to be utilized in different applications because carbohydrates are biocompatible and can be made from easily accessible and renewable resources. Designing gelators is still a challenge within the field, even though researchers have developed tools to predict …


Oxygen Harvesting From Carbon Dioxide: Simultaneous Epoxidation And Co Formation, Han Xu, Muhammad Shaban, Sui Wang, Anas Alkayal, Dingxin Liu, Michael G. Kong, Felix Plasser, Benjamin R. Buckley, Felipe Iza Jan 2021

Oxygen Harvesting From Carbon Dioxide: Simultaneous Epoxidation And Co Formation, Han Xu, Muhammad Shaban, Sui Wang, Anas Alkayal, Dingxin Liu, Michael G. Kong, Felix Plasser, Benjamin R. Buckley, Felipe Iza

Bioelectrics Publications

Due to increasing concentrations in the atmosphere, carbon dioxide has, in recent times, been targeted for utilisation (Carbon Capture Utilisation and Storage, CCUS). In particular, the production of CO from CO2 has been an area of intense interest, particularly since the CO can be utilized in Fischer–Tropsch synthesis. Herein we report that CO2 can also be used as a source of atomic oxygen that is efficiently harvested and used as a waste-free terminal oxidant for the oxidation of alkenes to epoxides. Simultaneously, the process yields CO. Utilization of the atomic oxygen does not only generate a valuable product, …


Discharge Mode Transition In He/Ar Atmospheric Pressure Plasma Jet And Its Inactivation Effect Against Tumor Cells In Vitro, Bolun Pang, Zhijie Liu, Sitao Wang, Yuting Gao, Huaiyan Zhang, Feng Zhang, Xiamin Tantai, Dehui Xu, Dingxin Liu, Michael G. Kong Jan 2021

Discharge Mode Transition In He/Ar Atmospheric Pressure Plasma Jet And Its Inactivation Effect Against Tumor Cells In Vitro, Bolun Pang, Zhijie Liu, Sitao Wang, Yuting Gao, Huaiyan Zhang, Feng Zhang, Xiamin Tantai, Dehui Xu, Dingxin Liu, Michael G. Kong

Bioelectrics Publications

Discharge characteristic comparisons between He and Ar plasma jets have been extensively reported, but is rarely reported for the comprehensive study of discharge mode transition from He jet to Ar jet, especially its induced liquid chemistry and biological effect. In this paper, we investigate the plasma jet mode transformation by varying the Ar contents in the He/Ar mixing working gas, particularly focusing on the effect of liquid chemistry of plasma activated water (PAW) and the corresponding inactivation effect against tumor cells in vitro. The mode transition process from He jet to Ar jet is characterized by the discharge images, …


Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee Jan 2021

Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

Through the research presented herein, it is quite clear that there are two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type A, such as glycolysis and the tricarboxylic acid cycle, apparently follows the second law well; Type B, as exemplified by the thermotrophic function with transmembrane electrostatically localized protons presented here, does not necessarily have to be constrained by the second law, owing to its special asymmetric function. This study now, for the first time, numerically shows that transmembrane electrostatic proton localization (Type-B process) represents a negative entropy event with a local protonic entropy …


Fluid Model Of Plasma-Liquid Interaction: The Effect Of Interfacial Boundary Conditions And Henry's Law Constants, Yifan Liu, Dingxin Liu, Jishen Zhang, Bowen Sun, Santu Luo, Hao Zhang, Li Guo, Mingzhe Rong, Michael G. Kong Jan 2021

Fluid Model Of Plasma-Liquid Interaction: The Effect Of Interfacial Boundary Conditions And Henry's Law Constants, Yifan Liu, Dingxin Liu, Jishen Zhang, Bowen Sun, Santu Luo, Hao Zhang, Li Guo, Mingzhe Rong, Michael G. Kong

Bioelectrics Publications

Plasma–liquid interaction is a critical area of plasma science, mainly because much remains unknown about the physicochemical processes occurring at the plasma–liquid interface. Besides a lot of experimental studies toward the interaction, a few fluid models have also been reported in recent years. However, the interfacial boundary conditions in the models are different and the Henry's law constants therein are uncertain; hence, the accuracy and robustness of the simulation results are doubtable. In view of this, three 1D fluid models are developed for the interaction between a plasma jet and deionized water, each of which has a unique interfacial boundary …


Advanced Raman Spectroscopy Detection Of Oxidative Damage In Nucleic Acid Bases: Probing Chemical Changes And Intermolecular Interactions In Guanosine At Ultralow Concentration, Francesca Ripanti, Claudia Fasolato, Flavia Mazzarda, Simonetta Palleschi, Marina Ceccarini, Chunchun Li, Margherita Bignami, Enrico Bodo, Steven E.J. Bell, Filomena Mazzei, Paolo Postorino Jan 2021

Advanced Raman Spectroscopy Detection Of Oxidative Damage In Nucleic Acid Bases: Probing Chemical Changes And Intermolecular Interactions In Guanosine At Ultralow Concentration, Francesca Ripanti, Claudia Fasolato, Flavia Mazzarda, Simonetta Palleschi, Marina Ceccarini, Chunchun Li, Margherita Bignami, Enrico Bodo, Steven E.J. Bell, Filomena Mazzei, Paolo Postorino

Bioelectrics Publications

DNA/RNA synthesis precursors are especially vulnerable to damage induced by reactive oxygen species occurring following oxidative stress. Guanosine triphosphates are the prevalent oxidized nucleotides, which can be misincorporated during replication, leading to mutations and cell death. Here, we present a novel method based on micro-Raman spectroscopy, combined with ab initio calculations, for the identification, detection, and quantification of oxidized nucleotides at low concentration. We also show that the Raman signature in the terahertz spectral range (<100 >cm(-1)) contains information on the intermolecular assembly of guanine in tetrads, which allows us to further boost the oxidative damage detection limit. Eventually, we …


Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder Jan 2021

Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder

Chemistry & Biochemistry Faculty Publications

Photodynamic therapy (PDT) is a medicinal tool that uses a photosensitiser and a light source to treat several conditions, including cancer. PDT uses reactive oxygen species (ROS) such as cytotoxic singlet oxygen 1O2 to induce cell death in cancer cells. Chemotherapy has historically utilized the cytotoxic effects of many metals, especially transition-metal complexes. However, chemotherapy is a systemic treatment so all cells in a patient's body are exposed to the same cytotoxic effects. Transition metal complexes have also shown high cytotoxicity as PDT agents. PDT is a potential localized method for treating several cancer types by using inorganic …


Simulation Studies On The Interactions Of Electron Beam With Wastewater, X. Li, S. Wang, Helmut Baumgart, G. Ciovati, F. Hannon Jan 2021

Simulation Studies On The Interactions Of Electron Beam With Wastewater, X. Li, S. Wang, Helmut Baumgart, G. Ciovati, F. Hannon

Electrical & Computer Engineering Faculty Publications

The manufactured chemical pollutants, like 1,4 dioxane and PFAS (per- and polyfluroralkyl substances), found in the underground water and/or drinking water are challenging to be removed or biodegraded. Energetic electrons are capable of mediating and removing them. This paper utilizes FLUKA code to evaluate the beam-wastewater interaction effects with different energy, space and divergence distributions of the electron beam. With 8 MeV average energy, the electron beam exits from a 0.0127 cm thick titanium window, travels through a 4.3 cm distance air and a second 0.0127 cm thick stainless water container window with 2.43 cm radius, and finally is injected …