Chemistry Commons^™

Letter From The Editor - Hirst, Russel K. Hirst

International Journal of Nuclear Security

No abstract provided.

Conformationally Superarmed S-Ethyl Glycosyl Donors As Effective Building Blocks For Chemoselective Oligosaccharide Synthesis In One Pot, Mithila Bandara, Jagodige Yasomanee, Nigam Rath, Christian Pedersen, Mikael Bols, Alexei Demchenko

Chemistry & Biochemistry Faculty Works

A new series of superarmed glycosyl donors has been investigated. It was demonstrated that the S-ethyl leaving group allows for high reactivity, which is much higher than that of equally equipped S-phenyl glycosyl donors that were previously investigated by our groups. The superarmed S-ethyl glycosyl donors equipped with a 2-O-benzoyl group gave complete β-stereoselectivity. Utility of the new glycosyl donors has been demonstrated in a one-pot one-addition oligosaccharide synthesis with all of the reaction components present from the beginning.

Building The Education And Training Pillar Of The University Of Tennessee’S Institute For Nuclear Security, Howard Lewis Hall

International Journal of Nuclear Security

The University of Tennessee (UT) developed its first formal and coordinated efforts in nuclear security education in 2008-2009 with its graduate certificate program in nuclear security in the Department of Nuclear Engineering. Building on this work, in 2011 UT established the UT Institute for Nuclear Security (INS) as a collaborative center at the university to expand its curricular impact as well as foster research and partnerships with nearby major governmental facilities engaged in nuclear security work. Oak Ridge National Laboratory (ORNL), the Y-12 National Security Complex (Y-12), and Oak Ridge Associated Universities (ORAU) have joined with UT as charter members …

Promoting Excellence And Demonstrated Competence For Nuclear Security Training, Daniel Johnson, Brunelle Battistella, Roger Howsley

International Journal of Nuclear Security

The international community has spent considerable time, money, and effort attempting to establish a series of national and regional Centres of Excellence (COEs), also known as Nuclear Security Training and Support Centres (NSSCs). These Centres tend to have a wide variety of objectives, structures, and methods of delivery. Unsurprisingly, no internationally accepted standard exists on how they should operate. The IAEA has produced some excellent guidance (TECDOC 1734), but by virtue of its role cannot provide standards for benchmarking success. Against this backdrop, the World Institute for Nuclear Security (WINS) launched the WINS Academy, an initiative to provide practitioners with …

Spray Printing Of Organic Semiconducting Single Crystals, Grigorios-Panagiotis Rigas, Marcia M. Payne, John E. Anthony, Peter N. Horton, Fernando A. Castro, Maxim Shkunov

Chemistry Faculty Publications

Single-crystal semiconductors have been at the forefront of scientific interest for more than 70 years, serving as the backbone of electronic devices. Inorganic single crystals are typically grown from a melt using time-consuming and energy-intensive processes. Organic semiconductor single crystals, however, can be grown using solution-based methods at room temperature in air, opening up the possibility of large-scale production of inexpensive electronics targeting applications ranging from field-effect transistors and light-emitting diodes to medical X-ray detectors. Here we demonstrate a low-cost, scalable spray-printing process to fabricate high-quality organic single crystals, based on various semiconducting small molecules on virtually any substrate by …

Nuclear Security Education At Pakistan Institute Of Engineering And Applied Sciences (Pieas): Current Status, Future Prospects And The Lessons Learnt, Tariq Majeed Dr.

International Journal of Nuclear Security

In this paper, the details of nuclear security education at Pakistan Institute of Engineering and Applied Sciences (PIEAS) have been discussed. Nuclear Security education was initiated at PIEAS as a sub-specialty of its MS Nuclear Engineering Program in October 2009. Two courses, Nuclear Security (NE-581) and Physical Protection Systems (NE-582) have been offered on regular basis in the 3^rd and 4^th semesters. To date, 72 students have been graduated with this sub-specialty. The most important lesson learnt is that introduction of nuclear security related courses in nuclear engineering program has opened up new venues of applications of nuclear …

Nuclear Security And Hrd - Viet Nam’S Effort, Nu-Hoai-Vi Nguyen, Tan Huu Vuong

International Journal of Nuclear Security

Viet Nam is expanding its nuclear energy program for the application in various areas including industries, agriculture, healthcare, education and research. Recognizing the importance of the nineteen issues laid out in the IAEA document “Milestones in Development of a National Infrastructure for Nuclear Power” [1], Vietnam is considering how to address these issues. This paper describes the establishment of nuclear security infrastructure in Viet Nam and how Viet Nam has addressed one of the nineteen issues, that is human resource development in nuclear energy in general and in nuclear security in particular.

Challenges And Responses For Ensuring Sustainability Of Insa Training Programs, Jongsook Kim, Hyung-Kyung Lee, Jin-Young Lee

International Journal of Nuclear Security

Providing a systematic training is critical for a state or international perspective to reinforce nuclear security regime nationally or internationally. Korea government recognizes the importance of such challenge, and established the INSA under the KINAC as a Center of Excellence for fostering national nuclear security capacity and contributing international nuclear security governance. INSA started with the government policy that the establishment of sustainable education and training infrastructure and processes is fundamental to the capacity building strategy. After established, INSA has been designing and delivering the domestic and international/regional training programs for the purpose of fostering human resources development in nuclear …

Photocatalytic Reduction Of Co2 With Tunable Bandgap And Bandedge Materials, Thuhuong T. Ngo

USF Tampa Graduate Theses and Dissertations

Solar energy is a sustainable resource which has substantial potential to meet the increasing demand for renewable energy. Though there has been some success in harvesting solar energy for electricity production, converting solar energy to chemical energy as fuels is still a challenge due to low efficiency.

Since the discovery of TiO₂ photocatalysts for splitting water (4) and reducing CO₂ (5) to form useful chemical feedstock such as H₂, CO and CH₄, much research has been done to increase the efficiency of photocatalysts. However, the current conversion efficiency of photocatalysts remains low (~5%) (6, …

Development Of In Vivo Systems For Detecting And Studying Ribosome Inhibition By Small Molecules, Shijie Huang

Chemistry and Chemical Biology ETDs

The ribosome is the quintessential antibacterial drug target, with many structurally and mechanistically distinct classes of antibacterial agents acting by inhibiting ribosome function. Detecting and quantifying ribosome inhibition by small molecules and investigating their binding modes and mechanisms of action are critical to antibacterial drug discovery and development efforts. To develop a ribosome inhibition assay that is operationally simple, yet provides direct information on the drug target and the mechanism of action, we have developed engineered E. coli strains harboring an orthogonal ribosome controlled green fluorescent protein reporter that produce fluorescent signal when the O-ribosome is inhibited. As a proof …

Peridynamic Modeling Of Ruptures In Biomembranes, Michael Taylor, Irep Gözen, Samir Patel, Aldo Jesorka, Katia Bertoldi

Mechanical Engineering

We simulate the formation of spontaneous ruptures in supported phospholipid double bilayer membranes, using peridynamic modeling. Experiments performed on spreading double bilayers typically show two distinct kinds of ruptures, floral and fractal, which form spontaneously in the distal (upper) bilayer at late stages of double bilayer formation on high energy substrates. It is, however, currently unresolved which factors govern the occurrence of either rupture type. Variations in the distance between the two bilayers, and the occurrence of interconnections (“pinning sites”) are suspected of contributing to the process. Our new simulations indicate that the pinned regions which form, presumably due to …

Molecular Tetrapods For Optoelectronic Applications, Jianzhong Yang

Chemistry and Chemical Biology ETDs

Most conjugated molecules including polymers and small molecules applied in organic solar cells (OSCs) have linear structures containing multiple aromatic groups connected in series. However, unfavorable film forming ability and grain boundaries both originated from high crystallinity of linear small molecules are detrimental to device performances. Thus, among multi-dimensional structures, tetrapodal molecules are especially interesting owing to their unique ability to mutually interlock, which prevents dislodging and provides high structural stabilities. Such molecular design can also increase absorption cross-sections and provide more extensively percolating pathways for charge transport, making such molecular tetrapods promising in OSCs applications. In my dissertation, I …

Metal-Organic Frameworks As Potential Platforms For Carbon Dioxide Capture And Chemical Transformation, Wenyang Gao

USF Tampa Graduate Theses and Dissertations

The anthropogenic carbon dioxide (CO₂) emission into the atmosphere, mainly through the combustion of fossil fuels, has resulted in a balance disturbance of the carbon cycle. Overwhelming scientific evidence proves that the escalating level of atmospheric CO₂ is deemed as the main culprit for global warming and climate change. It is thus imperative to develop viable CO₂ capture and sequestration (CCS) technologies to reduce CO₂ emissions, which is also essential to avoid the potential devastating effects in future. The drawbacks of energy-cost, corrosion and inefficiency for amine-based wet-scrubbing systems which are currently used in industry, …

Micro/Nano-Structured Electrode Materials For Sodium-Ion Batteries, Shuang Yuan, Yun-Hai Zhu, Sai Wang, Tao Sun, Xin-Bo Zhang, Qiang Wang

Journal of Electrochemistry

Sodium has similar physics and chemical properties to lithium, alternatively, sodium (Na)-ion batteries have again aroused a great deal of interest recently, particularly for large-scale stationary energy storage applications due to the practically infinite sodium resources and low cost. However, the technics and materials for Na-ion batteries are immature. Therefore, development of advanced anode and cathode materials for Na-ion batteries is urgently desired but remains a great challenge. This paper briefly reviews some recent progresses in this field, addressing the morphology effects, as well as functions of carbon composite materials toward Na-ion batteries. Several electrode materials with micro/nano-structures based on …

Construction And Sodium Storage Performance Of Complex One-Dimensional Nanomaterials, Yuan-Jie Zhang, Wei Li, Xuan-Peng Wang, Chao-Jiang Niu, Li-Qiang Mai

Journal of Electrochemistry

One-dimensional nanomaterials have been widely studied in energy storage and conversion fields because of their unique structure and physicochemical properties. Sodium-ion batteries are highly promising and attractive for large-scale energy storage due to the truly abundant sodium resources and low cost. With the growing demand of energy and deepening of research, the evolution of structures and properties of one-dimensional nanomaterials are also experiencing from simplicity to complexity and from ordinary to excellence. Therefore, constructing complex superior one-dimensional nanomaterials has become one of the hotspot in energy storage. Based on the new advance in this field and Mai group’s work, this …

Research Progress In Cycle Stability Of Silicon Based Li-Ion Battery Anodes, Ze-Liang Guo, Hui Wu

Journal of Electrochemistry

Silicon(Si), with the highest specific capacity currently known, is a promising anode material for Li-ion battery. However, in the charging and discharging process, with Li atoms inserting into and breaking out of the Si crystal lattices, the Si anode undergoes enormous volume expansion and contraction, ending in pulverization. The fact that the specific capacity of bulk Si anodes drop quickly is a challenging problem. In this review, we summarize recent progresses in Si anode. We concern about the nanostructure of silicon, cooperation of silicon with other additives and macrostructure design of anodes. We discuss strengths and shortcomings of different methods, …

Electrochemical Performance Of Crystalline Li12Si7 As Anode Material For Lithium Ion Battery, Ya-Xiong Yang, Rui-Jun Ma, Ming-Xia Gao, Hong-Ge Pan, Yong-Feng Liu

Journal of Electrochemistry

Crystalline Li₁₂Si₇ is successfully synthesized by heating the mixture of LiH and Si with a molar ratio of 12:7, which avoids the huge difference of the melting points between Li and Si. The electrochemical performance and lithium storage mechanism of the as-prepared Li12Si7 are studied in this work. It is found that only a change in cell volume takes place without a phase change during the lithiation/delithiation of Li₁₂Si₇ at a voltage range of 0.02 ~ 0.6 V, exhibiting a solid-solution lithium storage mechanism. Such a lithium storage process effectively retards the volume effect …

Continuous Synthesis And Condition Exploration Of Precursor Ni1/3Co1/3Mn1/3(Oh)2 Ternary Cathode Material, Zhi-Jun Jiang, Ya-Li Zhang, Qian Wang, Hui Zhang

Journal of Electrochemistry

Commercial LiNi_1/3Co_1/3Mn_1/3(OH)₂ ternary material is generally prepared by a combination of co-precipitation and solid state reaction method. The particle size distribution and morphology of Ni_1/3Co_1/3Mn_1/3(OH)₂ precursor have a great impact on the electrochemical performance of LiNi_1/3Co_1/3Mn_1/3O₂. In this work, the precursor Ni_1/3Co_1/3Mn_1/3(OH)₂ ternary cathode material was prepared by co-precipitation method with MnSO₄, NiSO₄, and CoSO₄ as raw materials, NaOH as a precipitating agent and NH_{3 …}

Research And Application Of Key Materials For Sodium-Ion Batteries, Yong-Chang Liu, Cheng-Cheng Chen, Ning Zhang, Liu-Bin Wang, Xing-De Xiang, Jun Chen

Journal of Electrochemistry

Sodium-ion batteries (SIBs) have been considered as a potential large-scale energy storage technology owing to the abundance, wide distribution, and low price of sodium resources. However, the larger and heavier sodium ion as compared to lithium ion makes it difficult to identify appropriate electrode materials with the capability for fast and stable sodium-ion insertion/extraction. Furthermore, the optimization of electrolyte, the matching of cathode and anode materials, and the construction of sodium-ion full batteries with high-performance, high-safety, and low-cost are urgently needed in order to make SIBs commercially available. This review summarizes the up-to-date research progresses in key materials (including cathode, …

Advances And Prospects Of Lithium-Sulfur Batteries, Shou-Yi Yuan, Ying Pang, Li-Na Wang, Yong-Gang Wang, Yong-Yao Xia

Journal of Electrochemistry

Lithium-sulfur batteries have recently attracted worldwide attention due to the high specific theoretical energy density of sulfur cathode (2600 Wh⋅kg^-1), low cost and wide availability of sulfur. However, the practical application of lithium-sulfur batteries has been hindered by several challenges, such as the shuttling of polysulfide intermediates, the large volume expansion of sulfur during charge/discharge and the dendrites formation on lithium anode. Foremost among these is the shuttling effect arising from the dissolution of lithium polysulfides intermediate into the electrolyte from the cathode reaction and their diffusion to the anode where they react with metal lithium to form …

Research Progress Of Si-Based Anode Materials For Lithium-Ion Batteries, Ding-Qiong Chen, Yang Yang, Qiu-Li Li, Jin-Bao Zhao

Journal of Electrochemistry

Owing to its high theoretical specific capacity (4200 mAh·g^-1), silicon is a promising candidate to replace graphite as the anode in lithium ion batteries (LIBs). However, low intrinsic electric conductivity and dramatic volume change (~ 300%) during the process of lithiation and delithiation result in electrode pulverization and capacity loss with cycling, accordingly, the application of silicon as an anode in LIBs has been severely hindered. We will discuss the structure of silicon electrode including synthesis of Si-based composites,the selection of binder for silicon and the fabrication of binder-free Si-based electrode, as well as the electrolyte additive to …

Template-Assisted Hydrothermal Synthesis Of Nio@Co3O4 Hollow Spheres With Hierarchical Porous Surfaces For Supercapacitor Applications, Wen Zhou, Xue-Feng Lu, Ming-Mei Wu, Gao-Ren Li

Journal of Electrochemistry

Hollow structures have shown great potentials in a variety of important applications, such as energy conversion and storage. In order to further enhance the performance, the rational design of hollow structures with higher complexity in terms of composition and structure is highly desirable and still remains a great challenge. In this work, an efficient strategy was established for the fabrication of novel NiO@Co₃O₄ hollow spheres (HSs) with hierarchical porous surfaces by silica spheres template-assisted hydrothermal synthesis. The as-fabricated NiO@Co₃O₄ HSs showed high specific surface area of 219.68 m²·g^-1, and significant …

Effects Of Lithium Salts On The Properties Of Hyperbrandched/Comb-Like Composite Polymer Electrolytes, Xian-Lei Hu, Xiao-Xu Liang, Ming-Qiu Zhang, Ruo-Xin Zhang, Li-Ping Zhang, Wen-Hong Ruan

Journal of Electrochemistry

Based on the chemical characteristics of the hydroxyl group of PVA side-chain, the hyperbrandched poly(amine-ester) (HBPAE) was used to hypergraftingly pretreated nano-silica (SiO₂) and polyving akohol (PVA). And different lithium salts were added to fabricate the SiO₂-g-HBPAE/PVA-g-HBPAE hyperbrandched/comb-like composite polymer electrolytes (CPEs). The dispersion of nanoparticles in matrix was observed by SEM. The effects of different lithium salts on the properties of CPEs were studied by DSC, tensile test and dielectric spectra. The results showed that the hypergrafting method improved the interphase compatibility between SiO₂ and matrix. Sulfonic acid type lithium salts accelerated self-plasticizing with …

The Study Of Dynamical Electrochemical Impedance Spectroscopy For Oxygen Reduction Reaction On Pt/C Catalyst, Kun-Ming Shi, Jian-Wei Guo, Jia Wang

Journal of Electrochemistry

With joint techniques of rotating disc electrode(RDE) and electrochemical impedance spectroscopy(EIS), and further establishment on equivalent circuit model, this paper studied oxygen reduction reaction(ORR) on commercial Pt/C catalyst in acid medium. Our results found that the dynamical interface on Pt/C consists of two independent processes: 1) the PtO reduction from Pt surface, 2) the new PtO formation from ORR, thus providing key clues for catalyst stability and activity. This also implied that the dynamical interface facilitates reconstruction for porous electrode, and matches with mass transfer. One important issue is discovered that at high overpotential, the high reaction rate for ORR …

Evolution From The Plasmon To Exciton State In Ligand-Protected Atomically Precise Gold Nanoparticles, Meng Zhou, Chenjie Zeng, Yuxiang Chen, Shuo Zhao, Matthew Y. Sfeir, Manzhou Zhu, Rongchao Jin

Publications and Research

The evolution from the metallic (or plasmonic) to molecular state in metal nanoparticles constitutes a central question in nanoscience research because of its importance in revealing the origin of metallic bonding and offering fundamental insights into the birth of surface plasmon resonance. Previous research has not been able to probe the transition due to the unavailability of atomically precise nanoparticles in the 1-3 nm size regime. Herein, we investigate the transition by performing ultrafast spectroscopic studies on atomically precise thiolate-protected Au₂₅, Au₃₈, Au₁₄₄, Au₃₃₃, Au_∼520 and Au_∼940 nanoparticles. Our results …

Recent Approaches In Designing Bioadhesive Materials Inspired By Mussel Adhesive Protein, Pegah Kord Forooshani, Bruce P. Lee

Department of Biomedical Engineering Publications

Marine mussels secret protein-based adhesives, which enable them to anchor to various surfaces in a saline, intertidal zone. Mussel foot proteins (Mfps) contain a large abundance of a unique, catecholic amino acid, Dopa, in their protein sequences. Catechol offers robust and durable adhe-sion to various substrate surfaces and contributes to the curing of the adhesive plaques. In this article, we review the unique features and the key functionalities of Mfps, catechol chemistry, and strategies for preparing catechol-functionalized poly- mers. Specifically, we reviewed recent findings on the contributions of various features of Mfps on interfacial binding, which include coacervate formation, surface …

Effect Of Surface Treatment On Liquid Adhesion Inside 3-D Structures, Madani A. Khan, Jeffrey Alston, Andrew Guenthner, Jacob Zavala

STAR Program Research Presentations

This study explores the relationship between chemical surface treatments on the interior of glass tubes and their resistance to fluid flow. By treating the interior of the tubes with functional silanes we can decrease or increase the interaction of the tube walls with the fluid column, which translates to changes in fluid column height for a given pressure differential. Resistance to fluid flow is quantified by using the tubes as integral parts of a barometric pressure column and measuring the changes in column height as the fluid is pulled into the tube by a set pressure differential. The barometric pressure …

An Unexpected Restructuring Of Combustion Soot Aggregates By Subnanometer Coatings Of Polycyclic Aromatic Hydrocarbons, Chao Chen, Xiaolong Fan, Tasneem Shaltout, Chong Qiu, Yan Ma, Andrew Goldman, Alexei F. Khalizov

Chemistry and Chemical Engineering Faculty Publications

We investigated the effect of thin polycyclic aromatic hydrocarbon (PAH) coatings on the structure of soot aggregates. Soot aerosol from an inverted diffusion burner was size classified, thermally denuded, coated with six different PAHs, and then characterized using scanning electron microscopy, light scattering, and mass-mobility measurements. Contrary to our expectation, significant restructuring was observed in the presence of subnanometer layers of pyrene, fluoranthene, and phenanthrene. These PAHs remained in subcooled liquid state in thin films, whereby the liquid layer acted as a lubricant, reducing the force required to initiate the restructuring. Thin layers of PAH of higher melting temperatures (perylene, …

Metal-Organic Hybrid Nanocomposites For Energy Harvesting Applications, Thulitha Madawa Abeywickrama

Masters Theses & Specialist Projects

Various synthetic methods have been developed to produce metal nanostructures including copper and iron nanostructures. Modification of nanoparticle surface to enhance their characteristic properties through surface functionalization with organic ligands ranging from small molecules to polymeric materials including organic semiconducting polymers is a key interest in nanoscience. However, most of the synthetic methods developed in the past depend widely on non-aqueous solvents, toxic reducing agents, and high temperature and high-pressure conditions. Therefore, to produce metal nanostructures and their nanocomposites with a simpler and greener method is indeed necessary and desirable for their nano-scale applications. Hence the objective of this thesis …

Preface-Jes Focus Issue On Electrolysis For Increased Renewable Energy Penetration, B. Pivovar, M. Carmo, K. Ayers, X. Zhang, J. O'Brien

Mechanical & Aerospace Engineering Faculty Publications

(First paragraph) Today represents a particularly exciting time, as our planet’s energy system is undergoing major changes due to dramatically decreasing renewable energy prices and increasing societal concerns over greenhouse gas emissions, criteria pollutants (arsenic, mercury, NOx, particulate matter), and climate change. These factors are pushing society toward deep decarbonization of our energy system, perhaps the most challenging issue facing the planet today. Unfortunately, wind and solar energy, while both promising generation sources, come with intermittency challenges and have limitations in their abilities to impact industrial and transportation sector demands where fossil fuel energy carriers based on chemical bonds have …