Chemistry Commons^™

The Role Of Catalytic Residue PKA On The Hydrolysis/Transglycosylation Partition In Family 3 Β-Glucosidases, Inacrist Geronimo, Christina M. Payne, Mats Sandgren

Chemical and Materials Engineering Faculty Publications

β-Glucosidases (βgls) primarily catalyze the hydrolysis of the terminal glycosidic bond at the non-reducing end of β-glucosides, although glycosidic bond synthesis (called transglycosylation) can also occur in the presence of another acceptor. In the final reaction step, the glucose product or another substrate competes with water for transfer to the glycosyl-enzyme intermediate. The factors governing the balance between the two pathways are not fully known; however, the involvement of ionizable residues in binding and catalysis suggests that their pK_a may play a role. Through constant pH molecular dynamics simulations of a glycoside hydrolase Family 3 (GH3) βgl, we …

Layer-By-Layer Assembled Membranes With Immobilized Porins, Sebastián Hernández, Cassandra Porter, Xinyi Zhang, Yinan Wei, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

New and advanced opportunities are arising for the synthesis and functionalization of membranes with selective separation, reactivity, and stimuli-responsive behavior. One such advancement is the integration of bio-based channels in membrane technologies. By a layer-by-layer (LbL) assembly of polyelectrolytes, outer membrane protein F trimers (OmpF) or “porins” from Escherichia coli with central pores ∼2 nm in diameter at their opening and ∼0.7 × 1.1 nm at their constricted region are immobilized within the pores of poly(vinylidene fluoride) microfiltration membranes, in contrast to traditional ruptured lipid bilayer or vesicle processes. These OmpF-membranes demonstrate selective rejection of non-charged organics over ionic solutes, …

Synthesis And Characterization Of Thermoresponsive Hydrogels Based On N-Isopropylacrylamide Crosslinked With 4,4′-Dihydroxybiphenyl Diacrylate, Shuo Tang, Martha Floy, Rohit Bhandari, Manjula Sunkara, Andrew J. Morris, Thomas D. Dziubla, J. Zach Hilt

Chemical and Materials Engineering Faculty Publications

A novel crosslinker [4,4′-dihydroxybiphenyl diacrylate (44BDA)] was developed, and a series of temperature-responsive hydrogels were synthesized through free radical polymerization of N-isopropylacrylamide (NIPAAm) with 44BDA. The temperature-responsive behavior of the resulting gels was characterized by swelling studies, and the lower critical solution temperature (LCST) of the hydrogels was characterized through differential scanning calorimetry. Increased content of 44BDA led to a decreased swelling ratio and shifted the LCST to lower temperatures. These novel hydrogels also displayed resiliency through multiple swelling–deswelling cycles, and their temperature responsiveness was reversible. The successful synthesis of NIPAAm-based hydrogels crosslinked with 44BDA has led to a …

Artificial Olfactory System For Multi-Component Analysis Of Gas Mixtures., Alexander Aleksandrovich Larin

Electronic Theses and Dissertations

Gas analysis is an important part of our world and gas sensing technology is becoming more essential for various aspects of our life. A novel approach for gas mixture analysis by using portable gas chromatography in combination with an array of highly integrated and selective metal oxide (MOX) sensors has been studied. We developed a system with small size (7 x 13 x 16 inches), low power consumption (~10 W) and absence of special carrier gases designed for portable field analysis (assuming apriori calibration). Low ppb and even sub-ppb level of detection for some VOCs was achieved during the analysis …

Controlled Electrochemical Reduction Of Gold And Palladium Metal Precursors In Polyaniline, Nicole Goodwin

UNLV Theses, Dissertations, Professional Papers, and Capstones

Polyaniline (PANI) has been extensively studied due to its unique electrochemical properties. The conjugated polymer is conductive with high chemical stability below 100°C, mechanical strength, and large surface area. The applications of PANI have included chemical sensing, corrosion inhibition coatings, light emitting diode and as a substrate for metal composite catalysts. Both chemical and electrochemical methods have been developed and utilized in the synthesis of PANI/metal composites. The simultaneous reduction of aniline and metal precursor produces a composite of PANI encapsulated metal, reducing the active surface area available for catalysis. Alternatively, chemical reduction of the metal precursor into preformed PANI …

Surface And Interface Characterization Of Solution-Processed Metal Oxides And Pedot:Pss Using Photoelectron Spectroscopy, Lynette M. Kogler

UNLV Theses, Dissertations, Professional Papers, and Capstones

Solution-processed materials are appealing for use in printable electronics as a means to lower production costs, but precise control of the process is crucial for achieving the desired properties in the final materials and their interfaces. Electronic interface properties depend on both the involved materials and their fabrication processes, impacting the development and commercialization of these materials. Analyzing the chemical and electronic structure of these materials, particularly at the surfaces and interfaces, is important not only for insuring that the materials have the desired properties, but also for understanding the effects of the fabrication process and how to modify properties …

Investigating Scalable Manufacturing Of High-Conductivity Wires And Coatings From Ultra-Long Carbon Nanotubes, Pouria Khanbolouki

Mechanical Engineering ETDs

Carbon nanotubes (CNTs) are a promising candidate for next generation of electrical wirings and electromagnetic interference (EMI) shielding materials due to their exceptional mechanical and electrical properties. Wires and coatings from ultralong nanotubes that are highly crystalline, well-aligned and densely packed can achieve this goal. High-performance CNT conductors will be relatively lightweight and resistant to harsh conditions and therefore can potentially replace current conductors in many industries including aerospace, automotive, gas and oil.

This thesis investigates a new manufacturing approach, based on conventional solution coating and wire drawing methods, to fabricate high conductivity wires and coatings from ultra-long carbon nanotubes. …

Superconductivity At Т≈200 K In Bismuth Cuprates Synthesized Using Solar Energy, J. Chigvinadze, Juana Acrivos, S. Ashimov, D. Gulamova, G. Donadze

Faculty Publications, Chemistry

When investigating low-frequency (0.1 Hz) oscillations of multiphase high-temperature cuprate superconductors (HTCS) Bi1,7Pb0,3Sr2Ca(n-1)CunOy (n=2-30), a wide attenuation peak (ΔT~100 К) with a maximum at Т≈200 К was detected. This peak was particularly pronounced in field cooling (FC) experiments, i.e. after abrupt cooling of the sample in the external magnetic field at the temperature Т<Тс with subsequent slow warming up to room temperature with invariance of the applied field. The attenuation peak height depended on the preliminaryorientation (before cooling) of the samples θ in the measured permanent magnetic field Н. On the one hand, it is well known that, after the FC procedure and subsequent slow warming up, at the temperatures close to the critical temperature Тс, the attenuation peak associated with “melting” of the Abrikosov frozen vortex structure and its disappearance at Т >Тс is detected in monophase samples. At the same time, in most multiphase bismuth HTCS samples, synthesized using solar energy and superfast quenching of the melt, the attenuation peak with the maximum at Т≈200 К was observed.Depending on the conditions of synthesis, the attenuation peak could …

Special Issue On Supercapacitors, Xiao-Gang Zhang

Journal of Electrochemistry

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Strategies To Enhance Energy Density For Supercapacitors, Jun-Wei Lang, Xu Zhang, Ru-Tao Wang, Xing-Bin Yan

Journal of Electrochemistry

The biggest advantage of supercapacitor lies in not only the excellent pulse and fast charging-discharging performance, but also the characteristics of long cycle life and wide operating temperature window with no pollution. However, the energy density of supercapacitor is low. In this paper, the working principle, the development status, defects and improvement method of supercapacitors are introduced. Based on the research workes of the supercapacitors with high energy density in our group, combined with the literature reports in recent years, the strategies to promote the energy density of supercarpacitors will be focused. The strategies for the enhancement of energy density …

Porous Carbon Materials Produced By Koh Activation For Supercapacitor Electrodes, Jiang-Lin Ye, Yan-Wu Zhu

Journal of Electrochemistry

Porous carbon materials with high specific surface area and excellent conductivity have wide applications in supercapacitor electrodes. Much effort has been made to synthesize and tailor the microstructures of porous carbon materials via various activation procedures (physical and chemical activations). In particular, the chemical activation using potassium hydroxide (KOH) as an activating reagent is promising because of the well-defined micropore size distribution and ultrahigh specific surface area up to 3000 m²·g^-1 of the resulting porous carbons. Based mainly on the previous works taken by the authors and collaborators in the field, we have summarized the activation mechanism …

Recent Advances On Carbon And Transition Metallic Compound Electrodes For High-Performance Supercapacitors, Dun Lin, Xi-Yue Zhang, Yin-Xiang Zeng, Ming-Hao Yu, Xi-Hong Lu, Ye-Xiang Tong

Journal of Electrochemistry

Supercapacitors (SCs) have stimulated intensive interests for their promising applications in electric vehicles and portable electronics, etc. Electrode material is the most important key component of SCs, which vastly determines the performance of SCs. Carbon and transition metallic compound materials have attracted considerable attention and been widely explored as electrode materials. However, the insufficient capacitance of carbon materials and unsatisfactory conductivity and cyclic stability of transition metallic compounds severely limit their implementation as robust SC electrodes. Herein, we highlight our recent efforts to boost the capacitive performance of carbon and metal oxide/nitride electrodes by rationally structural and componential design. The …

Lithium Ion Hybrid Capacitor With High Energy Density, Xian-Zhong Sun, Xiong Zhang, Kai Wang, Yan-Wei Ma

Journal of Electrochemistry

Lithium ion hybrid capacitors are electrochemical energy storage devices combining the advantages of both Li-ion battery and electrochemical capacitor. They can be extensively used in many fields. However, the commercialization of lithium ion hybrid capacitor has been encountered several problems, e.g., the device structure design, the screening of materials, the pre-lithiation process, and the interface between electrolyte and electrode, etc. This review summarizes the recent research advances in lithium ion hybrid capacitor with high energy density, including the selection of the active materials in cathode/anode and the separator, the pre-lithiation method using the three-electrode structure, the high- and low-temperature performances, …

Template Induced Fabrication Of Nitrogen Doped Carbon Sheets As Electrode Materials In Supercapacitors, Tao Huang, Guang-Zhi Tao, Chong-Qing Yang, Deng Lu, Lie Ma, Dong-Qing Wu

Journal of Electrochemistry

Due to the good electrical conductivity, high specific surface area, and excellent chemical/mechanical stability, carbon nanomaterials with two-dimensional morphology have gradually become the hot topic of the research on supercapacitors. Herein, we report for the first time the fabrication of nitrogen doped carbon sheets (NCSs). In our approach, the sheet-like magnisum aluminum (MgAl) layered double hydroxide was used as the hard template, which was mixed with o-phenylene diamine and iron chloride. The following thermal treatment could render the polymerization and carbonization of o-phenylene diamine. The NCSs with ordered hexagonal architectures were formed by final etching process of the thermally treated …

Preparation And Characterization Of Cellulose Acetate-Based Separator For Lithium-Ion Batteries, Hua-Feng Luo, Yuan-Dong Qiao

Journal of Electrochemistry

To improve the electrolyte wettability and thermal resistance of separators used for lithium-ion battery, a novel cellulose acetate (CA)-based separator is facilely prepared by non-solvent induced phase separation (NIPS) wet-process and investigated in lithium-ion batteries. Systematical investigations including morphological characterization, electrolyte wettability and thermal resistance testing were carried out. The results demonstrated that the CA-based separator exhibited well developed three-dimensional porous structures with porosity up to 65%, which is 1.5 times higher than that of PE separator. The CA separator also showed excellent electrolyte uptake (285%) and thermal stability at 150 ^oC for 30 min. Compared with the commercial …

Nano/Submicro-Structured Iron Cobalt Oxides Based Materials For Energy Storage Application, Hongyan Gao

Masters Theses & Specialist Projects

Supercapacitors, as promising energy storage devices, have been of interest for their long lifespan compared to secondary batteries, high capacitance and excellent reliability compared to conventional dielectric capacitors. Transition metal oxides can be applied as the electrode materials for pseudocapacitors and offer a much higher specific capacitance. Co3O4 is one of the most investigated transition metal oxides for supercapacitor. Besides simple monometallic oxides, bimetallic transition oxides have recently drawn growing attention in electrochemical energy storage. They present many unique properties such as achievable oxidation states, high electrical conductivities because of the coexistence of two different cations in a single crystal …

Density Functional Investigation On Cathode/Electrolyte Interface In Solid-State Lithium Batteries, Xuelong Wang, Ruijuan Xiao, Yong Xiang, Hong Li, Liquan Chen

Journal of Electrochemistry

The rapidly expanding application of lithium ion batteries stimulates research interest on energy storage devices with higher energy density, better safety and faster charge/discharge speed. All-solid-state lithium batteries have been considered as promising candidates because of their fewer side reactions and better safety compared with conventional lithium-ion batteries with organic liquid electrolytes. Looking for well-matched electrode/electrolyte interfaces is one of the keys to ensuring good comprehensive performance of solid-state lithium batteries. In this report, with the aid of first-principles simulations, the local structure and lithium ions transportation properties of electrolyte surfaces and cathode/electrolyte interfaces are investigated. The β-Li₃PS …

Effects Of Surface Modification Modes On Proton-Over-Vanadium Ion Selectivity Of Nafion®Membrane For Application In Vanadium Redox Flow Battery, Qing-Long Tan, Hai-Ning Wang, Shan-Fu Lu, Da-Wei Liang, Chun-Xiao Wu, Yan Xiang

Journal of Electrochemistry

The effect of surface modification modes on proton-over-vanadium ion selectivity was studied by spin-coating chitosan-Phosphotungstic Acid (PWA) as a single or double layer on Nafion membrane surface. To suppress the vanadium ions permeation through the Nafion? membrane in a vanadium redox flow battery (VRFB), the single surface-modified Nafion membrane (Nafion/chitosan-PWA)S and double surface-modified Nafion membrane (Nafion/chitosan-PWA)D demonstrated a 89.9% and 92.7% reduction of vanadium ion permeability in comparison with pristine Nafion, respectively. The (Nafion/chitosan-PWA)D exhibited betterhigher selectivity between proton and vanadium ions than the (Nafion/chitosan-PWA)S at the same layer thickness. Furthermore, the columbic efficiency for the VRFB single cell based …

Tetrabutylammonium Hexafluorophosphate As Flame Retardant Additive For Lithium Ion Batteries, Qing Zhao, Qian Zhang, Jing-Min Fan, Ming-Sen Zheng, Quan-Feng Dong

Journal of Electrochemistry

Safety issues have been attracted more and more attentions due to the wide applications of lithium ion batteries. Introducing flame retardant additives are one of the effective strategies to improve the safety of lithium-ion batteries. In this paper, the tetrabutylammonium hexafluorophosphate (TBAPF₆) as a flame retardant additive was added to the electrolyte as a flame retardant additive to enhance the safety of lithium ion batteries. The self-extinguishing time (SET) and ionic conductivities of the electrolytes with different TBAPF₆ contents were investigated. It is found that TBAPF6 dramatically reduced the flammability of the electrolyte while slightly decreasing ionic …

Electrochemical Performance Of Sodium Difluoro(Oxalato)Borate As The Additive Of Non-Aqueous Electrolytes For Sodium-Ion Batteries, Ding Zhang, Qin Zhu, Ying Wang, Cheng-Long Zhao, Shi-Bin Liu, Shou-Dong Xu

Journal of Electrochemistry

Sodium ion battery has attracted worldwide and intensive attention recently, while the adoption of electrolyte additives has been considered as one effective strategy to promote the cell performance. Within this work sodium difluoro(oxalato)borate (NaDFOB) was prepared and adopted as an additive for the general non-aqueous electrolyte formula of 1 mol·L-1 NaClO4/EC/PC (Vol: Vol=1:1), and the effects of the additive concentration on ionic conductivity and oxidization decomposition voltage were investigated in detail. In addition, the cell performance evaluated by NaNi0.5Mn0.5O2 as the cathode was also studied. It reveals that the addition of NaDFOB into the NaClO4/EC/PC electrolyte resulted in the significantly …

Thermo-Stability And Active Site Structure Of Fe/N/C Electrocatalyst For Oxygen Reduction Reaction, Chi Chen, Yu-Jiao Lai, Zhi-You Zhou, Xin-Sheng Zhang, Shi-Gang Sun

Journal of Electrochemistry

The development of Fe/N/C electrocatalyst for oxygen reduction reaction (ORR) is vital for the large-scale applications of proton exchange membrane fuel cells. Understanding the active site structure will contribute to the rational design of highly active catalysts. In this study, the as-prepared Fe/N/C catalyst based on poly-m-phenylenediamine (PmPDA-FeN_x/C) catalyst with the high ORR activity was subjected to the high-temperature heat treatment again at 1000 ~1500 ^oC. The degradation of in the ORR activity of PmPDA-FeN_x/C by with various heat treatments was correlated to the change of elemental compositions, chemical states and textural properties. As the …

Electric Current Induced Flow And Electrocapillary Deformation Of Liquid Wood Alloy In Naoh Aqueous Solution, Guo-Di Zhang, Qiao-Li Lin, Jian-Hong Cheng, Rui Cao

Journal of Electrochemistry

The phenomena of the electric current induced flow and electrocapillary deformation for a liquid Wood alloy in a NaOH electrolyte were studied. Electrocapillary behaviors for the liquid Wood alloy in NaOH electrolytes by applying external low voltages were investigated. The electrode reaction (redox reaction) induced the formation or removing removal of an oxide film, and further caused the drop deformation by decreasing or increasing an interfacial tension. The same polar charge in the electric double layer would also decrease the interfacial tension. In order to maintain the stability of system, the contact area of the interface would be expanded, and …

An Investigation Of The Synergistic Effect Between (1,3-Dioxolan-2-Ylmethyl)Triphenylphosphonium Bromide And Iodide Ion For The Corrosion Inhibition Of Zinc In Citric Acid, Saadawy M.

Journal of Electrochemistry

The effect of (1,3-Dioxolan-2-ylmethyl)-triphenylphosphonium bromide (DTPB) on the zinc corrosion in 0.5 mol·L^-1 citric acid solution was investigated at 30 ^oC using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. An ecofriendly bath was used for acid cleaning of zinc, which has not been widely used in literatures. The results showed that DTPB could serve as an effective inhibitor for the zinc corrosion in a citric acid solution with the inhibition efficiency of 98.9% at the DTPB concentration of 3×10^-3 mol·L^-1. A synergistic effect between DTPB and potassium iodide (KI) enhanced the inhibition …

A New Type Carbon Composited Molybdenum Doped Vanadium Oxide Nanowires As A Cathode Material For Sodium Ion Batteries, Guang-Rui Zhang, Li-Qiang Hu, Bao-Zhu Zhang

Journal of Electrochemistry

In recent years, the development of lithium ion batteries (LIBs) has been limited due to the insufficient lithium resource and increasing cost. As a promising candidate, sodium ion batteries (SIBs) with the similar electrochemical mechanism and lower cost than LIBs are developing rapidly. However, as a result of the larger radius of Na⁺ compared with Li⁺, the crystalline structures of the most electrode materials are damaged severely during the intercalation of Na⁺, which limits the electrochemical properties of SIBs. Thus, developing new types of electrode materials for SIBs is particularly important. Among the cathode materials, …

Influence Of Typical Anions In Seawater Environments On Corrosion Behaviors Of 5083 Aluminum Alloy, Yang-Fan Tu, Li-Ming Feng, Zhi-Gang Fang, Hai-Tao Liu, Ming-Hua Jing, Yong Guan

Journal of Electrochemistry

The interaction effects of typical anions, namely, Cl^-, HCO₃^- and SO₄^2-, presented in seawater environments on corrosion resistance behaviors of AA5083 aluminum alloy have been studied. The corrosion resistances of the 5083 aluminum alloy in different simulated seawater environments were tested by factorial analysis method. The polarization curves, the corrosion potentials, corrosion current densities and the breakdown potentials were examined in different concentrations of Cl^-, HCO₃^- and SO₄^2-.The corrosion behavior was analyzed by electrochemical impedance spectroscopy (EIS). The results showed that both Cl^-,  and …

Effects Of Temperature On The Nucleation And Growth Mechanism Of Pbo2 Electrodeposition, Lei Wang, Juan-Qin Xue, Li-Hua Yu, Chang-Bin Tang, Qiang Bi

Journal of Electrochemistry

In order to investigate the effects of temperature on the nucleation and growth of lead dioxide (PbO₂), the in situ electrochemical depositions of PbO₂ were carried out on the glassy carbon electrode at different temperatures, namely, 25℃,35℃, 45℃, 55℃, and 65℃.The cyclic voltammetric curves, the time-current and the time-potential curves,SEM images and XRD patterns of the PbO₂ coatings deposited at different temperatures were obtained. The results showed that the PbO₂ underwent nucleation and grew at different temperatures. The 3D continuous nucleation mode of PbO₂ electrodeposition remained unchanged with the increase of temperature. However, the …

Usage Of Fomblin Y To Improve Water Repellence Of Surface Coatings, Shawn Pj Kirby, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Fluoro-Decyl POSS (FDP) has shown strong potential as a water repellant surface coating. Additionally, Fomblin is a solvent believed to have the ability to control the crystallization of POSS compounds on surfaces. Controlling the crystallization is key to improving water repelling abilities of surfaces. Thus, dip coating FDP and Fomblin onto surfaces is being investigated for water repulsion, mechanical stability, and deposition feasibility. First, temperature dependence of solubility of Fluoro-Decyl POSS in Fomblin was tested using Dynamic Light Scattering. Relative water repelling abilities of different coatings were determined by measuring contact angle of surfaces with water. Coatings with and without …

Comparative Solubility Of Poss Compounds In Fomblin Y, Shawn Pj Kirby, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Fluoro-Decyl POSS (FDP) has shown strong potential as a water repellant surface coating. Additionally, Fomblin is a solvent believed to have the ability to control the crystallization of POSS compounds on surfaces. Controlling the crystallization is key to improving water repelling abilities of surfaces. Thus, dip coating FDP and Fomblin onto surfaces is being investigated for water repulsion, mechanical stability, and deposition feasibility. However, in order for this to be successful, POSS must be soluble in Fomblin. Temperature dependence of solubility of Fluoro-Hexyl, Fluoro-Octyl, Fluoro-Decyl POSS in Fomblin was tested using Dynamic Light Scattering. The values were compared, and it …

Cellulose Reinforced Thermoplastic Composites By In-Situ Ring-Opening Polymerization, Shahab Kashani Rahimi

Dissertations

Over the past two decades, the increasing concern about the negative environmental impacts of synthetic materials has led to rising interests in utilizing renewable natural resources to develop polymer materials with comparable properties and performance to their synthetic counterparts. One of the major fields of interest is polymer composites where the replacement of synthetic fibers with bio renewable natural fibers is of great potential. However, the processing difficulties, in terms of fiber dispersion and thermal stability have limited the application of cellulosic fibers to polymers with low processing temperatures which are mostly hydrophobic polymers. As a result, the true reinforcing …

Real-Time Sensing Of Single-Ligand Delivery With Nanoaperture-Integrated Microfluidic Devices, W. Elliott Martin, Ning Ge, Bernadeta R. Srijanto, Emily Furnish, C. Patrick Collier, Christine A. Trinkle, Christopher I. Richards

Chemistry Faculty Publications

The measurement of biological events on the surface of live cells at the single-molecule level is complicated by several factors including high protein densities that are incompatible with single-molecule imaging, cellular autofluorescence, and protein mobility on the cell surface. Here, we fabricated a device composed of an array of nanoscale apertures coupled with a microfluidic delivery system to quantify single-ligand interactions with proteins on the cell surface. We cultured live cells directly on the device and isolated individual epidermal growth factor receptors (EGFRs) in the apertures while delivering fluorescently labeled epidermal growth factor. We observed single ligands binding to EGFRs, …