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Laterally Extended Atomically Precise Graphene Nanoribbons With Improved Electrical Conductivity For Efficient Gas Sensing, Mohammad Mehdi Pour, Andrey Lashkov, Adrian Radocea, Ximeng Liu, Tao Sun, Alexey Lipatov, Rafal A. Korlacki, Mikhail Shekhirev, Narayana R. Aluru, Joseph W. Lyding, Victor Sysoev, Alexander Sinitskii 2017 University of Nebraska - Lincoln

Laterally Extended Atomically Precise Graphene Nanoribbons With Improved Electrical Conductivity For Efficient Gas Sensing, Mohammad Mehdi Pour, Andrey Lashkov, Adrian Radocea, Ximeng Liu, Tao Sun, Alexey Lipatov, Rafal A. Korlacki, Mikhail Shekhirev, Narayana R. Aluru, Joseph W. Lyding, Victor Sysoev, Alexander Sinitskii

Faculty Publications -- Chemistry Department

Narrow atomically precise graphene nanoribbons hold great promise for electronic and optoelectronic applications, but the previously demonstrated nanoribbon-based devices typically suffer from low currents and mobilities. In this study, we explored the idea of lateral extension of graphene nanoribbons for improving their electrical conductivity. We started with a conventional chevron graphene nanoribbon, and designed its laterally extended variant. We synthesized these new graphene nanoribbons in solution and found that the lateral extension results in decrease of their electronic bandgap and improvement in the electrical conductivity of nanoribbon-based thin films. These films were employed in gas sensors and an electronic nose ...


Nanomaterials As Stationary Phases And Supports In Liquid Chromatography: A Review, Sandya Beeram, Elliott Rodriguez, Suresh Doddavenkatanna, Zhao Li, Allegra Pekarek, Darin Peev, Kathryn Goerl, Gianfranco Trovato, Tino Hofmann, David S. Hage 2017 University of Nebraska–Lincoln

Nanomaterials As Stationary Phases And Supports In Liquid Chromatography: A Review, Sandya Beeram, Elliott Rodriguez, Suresh Doddavenkatanna, Zhao Li, Allegra Pekarek, Darin Peev, Kathryn Goerl, Gianfranco Trovato, Tino Hofmann, David S. Hage

Faculty Publications -- Chemistry Department

The development of various nanomaterials over the last few decades has led to many applications for these materials in liquid chromatography (LC). This review will look at the types of nanomaterials that have been incorporated into LC systems and the applications that have been explored for such systems. A number of carbon-based nanomaterials and inorganic nanomaterials have been considered for use in LC, ranging from carbon nanotubes, fullerenes and nanodiamonds to metal nanoparticles and nanostructures based on silica, alumina, zirconia and titanium dioxide. Many ways have been described for incorporating these nanomaterials into LC systems. These methods have included covalent ...


Soft Robotic Actuators, Filip Ilievski, Xin Chen, Aaron D. Mazzeo, George M. Whitesides, Robert F. Shepherd, Ramses V. Martinez, Won Jae Choi, Sen Wai Kwok, Stephen A. Morin, Adam Stokes, Zhihong Nie 2017 Santa Clara, CA

Soft Robotic Actuators, Filip Ilievski, Xin Chen, Aaron D. Mazzeo, George M. Whitesides, Robert F. Shepherd, Ramses V. Martinez, Won Jae Choi, Sen Wai Kwok, Stephen A. Morin, Adam Stokes, Zhihong Nie

Faculty Publications -- Chemistry Department

A soft robotic device includes a flexible body having a width, a length and a thickness, wherein the thickness is at least 1 mm, the flexible body having at least one channel disposed within the flexible body, the channel defined by upper, lower and side walls, wherein at least one wall is strain limiting; and a pressurizing inlet in fluid communication with the at least one channel, the at least one channel positioned and arranged such that the wall opposite the strain limiting wall preferentially expands when the soft robotic device is pressurized through the inlet.


Structure And Characterization Of A Class 3b Proline Utilization A: Ligand-Induced Dimerization And Importance Of The C-Terminal Domain For Catalysis, David A. Korasick, Thameesha T. Gamage, Shelbi Christgen, Kyle M. Stiers, Lesa J. Beamer, Michael T. Henzl, Donald F. Becker, John J. Tanner 2017 University of Missouri

Structure And Characterization Of A Class 3b Proline Utilization A: Ligand-Induced Dimerization And Importance Of The C-Terminal Domain For Catalysis, David A. Korasick, Thameesha T. Gamage, Shelbi Christgen, Kyle M. Stiers, Lesa J. Beamer, Michael T. Henzl, Donald F. Becker, John J. Tanner

Faculty Publications -- Chemistry Department

The bifunctional flavoenzyme proline utilization A (PutA) catalyzes the two-step oxidation of proline to glutamate using separate proline dehydrogenase (PRODH) and L-glutamate-y-semialdehyde dehydrogenase active sites. Because PutAs catalyze sequential reactions, they are good systems for studying how metabolic enzymes communicate via substrate channeling. Although mechanistically similar, PutAs vary widely in domain architecture, oligomeric state, and quaternary structure, and these variations represent different structural solutions to the problem of sequestering a reactive metabolite. Here, we studied PutA from Corynebacterium freiburgense (CfPutA), which belongs to the uncharacterized 3B class of PutAs.A2.7A˚ resolution crystal structure showed the canonical arrangement of PRODH ...


Resolving The Cofactor-Binding Site In The Proline Biosynthetic Enzyme Human Pyrroline-5-Carboxylate Reductase 1, Emily M. Christensen, Sagar M. Patel, David A. Korasick, Ashley C. Campbell, Kurt L. Krause, Donald F. Becker, John J. Tanner 2017 University of Missouri

Resolving The Cofactor-Binding Site In The Proline Biosynthetic Enzyme Human Pyrroline-5-Carboxylate Reductase 1, Emily M. Christensen, Sagar M. Patel, David A. Korasick, Ashley C. Campbell, Kurt L. Krause, Donald F. Becker, John J. Tanner

Faculty Publications -- Chemistry Department

Pyrroline-5-carboxylate reductase (PYCR) is the final enzyme in proline biosynthesis, catalyzing the NAD(P)H-dependent reduction of [?]1-pyrroline-5-carboxylate (P5C) to proline. Mutations in the PYCR1 gene alter mitochondrial function and cause the connective tissue disorder cutis laxa. Furthermore, PYCR1 is overexpressed in multiple cancers, and the PYCR1 knock-out suppresses tumorigenic growth, suggesting that PYCR1 is a potential cancer target. However, inhibitor development has been stymied by limited mechanistic details for the enzyme, particularly in light of a previous crystallographic study that placed the cofactor-binding site in the C-terminal domain rather than the anticipated Rossmann fold of the N-terminal domain. To ...


Indole-Induced Reversion Of Intrinsic Multiantibiotic Resistance In Lysobacter Enzymogenes, Yong Han, Yan Wang, Yameng Yu, Haotong Chen, Yuemao Shen, Liangcheng Du 2017 Shandong University

Indole-Induced Reversion Of Intrinsic Multiantibiotic Resistance In Lysobacter Enzymogenes, Yong Han, Yan Wang, Yameng Yu, Haotong Chen, Yuemao Shen, Liangcheng Du

Faculty Publications -- Chemistry Department

Lysobacter species are a group of environmental bacteria that are emerging as a new source of antibiotics. One characteristic of Lysobacter is intrinsic resistance to multiple antibiotics, which had not been studied. To understand the resistance mechanism, we tested the effect of blocking two-component regulatory systems (TCSs) on the antibiotic resistance of Lysobacter enzymogenes, a prolific producer of antibiotics. Upon treatment with LED209, an inhibitor of the widespread TCS QseC/QseB, L. enzymogenes produced a large amount of an unknown metabolite that was barely detectable in the untreated culture. Subsequent structural elucidation by nuclear magnetic resonance (NMR) unexpectedly revealed that ...


Synthesis Of Cerium Oxide Nanorods, Chin Li Cheung, Zane Charles Gernhart 2017 University of Nebraska at Lincoln

Synthesis Of Cerium Oxide Nanorods, Chin Li Cheung, Zane Charles Gernhart

Faculty Publications -- Chemistry Department

Cerium oxide nanorods having a variety of aspect ratios can be produced by providing a first mixture that includes a cerium precursor material, and using microwave to heat the first mixture to a first temperature for a period of time to produce first plurality of cerium oxide nanorods having a first range of aspect ratios. A second mixture that includes a cerium precursor material heated using microwave to a second temperature for a period of time to produce second plurality of cerium oxide nanorods having a second range of aspect ratios. The first plurality of cerium oxide nanorods and the ...


Human Serine Racemase Structure/Activity Relationship Studies Provide Mechanistic Insight And Point To Position 84 As A Hot Spot For Β-Elimination Function, David L. Nelson, Greg A. Applegate, Matthew L. Beio, Danielle L. Graham, David B. Berkowitz 2017 University of Nebraska - Lincoln

Human Serine Racemase Structure/Activity Relationship Studies Provide Mechanistic Insight And Point To Position 84 As A Hot Spot For Β-Elimination Function, David L. Nelson, Greg A. Applegate, Matthew L. Beio, Danielle L. Graham, David B. Berkowitz

Faculty Publications -- Chemistry Department

There is currently great interest in human serine racemase, the enzyme responsible for producing the NMDA co-agonist D-serine. Reported correlation of D-serine levels with disorders including Alzheimer’s disease, ALS, and ischemic brain damage (elevated D-serine) and schizophrenia (reduced D-serine) has further piqued this interest. Reported here is a structure/activity relationship study of position Ser84, the putative re-face base. In the most extreme case of functional reprogramming, the S84D mutant displays a dramatic reversal of β-elimination substrate specificity in favor of L-serine over the normally preferred L-serine-O-sulfate (~1200-fold change in kcat/Km ...


A Surface-Stabilized Ozonide Triggers Bromide Oxidation At The Aqueous Solution-Vapour Interface, Luca Artiglia, Jacinta Edebeli, Fabrizio Orlando, Shuzhen Chen, Ming-Tao Lee, Pablo Corral Arroyo, Anina Gilgen, Thorsten Bartels-Rausch, Armin Kleibert, Mario Vazdar, Marcelo Andrea Carignano, Joseph S. Francisco, Paul B. Shepson, Ivan Gladich, Markus Ammann 2017 Paul Scherrer Institut

A Surface-Stabilized Ozonide Triggers Bromide Oxidation At The Aqueous Solution-Vapour Interface, Luca Artiglia, Jacinta Edebeli, Fabrizio Orlando, Shuzhen Chen, Ming-Tao Lee, Pablo Corral Arroyo, Anina Gilgen, Thorsten Bartels-Rausch, Armin Kleibert, Mario Vazdar, Marcelo Andrea Carignano, Joseph S. Francisco, Paul B. Shepson, Ivan Gladich, Markus Ammann

Faculty Publications -- Chemistry Department

Oxidation of bromide in aqueous environments initiates the formation of molecular halogen compounds, which is important for the global tropospheric ozone budget. In the aqueous bulk, oxidation of bromide by ozone involves a [Br•OOO] complex as intermediate. Here we report liquid jet X-ray photoelectron spectroscopy measurements that provide direct experimental evidence for the ozonide and establish its propensity for the solution-vapor interface. Theoretical calculations support these findings, showing that water stabilizes the ozonide and lowers the energy of the transition state at neutral pH. Kinetic experiments confirm the dominance of the heterogeneous oxidation route established by this precursor at ...


Tying The Knot: Applications Of Topology To Chemistry, Tarini S. Hardikar 2017 Student

Tying The Knot: Applications Of Topology To Chemistry, Tarini S. Hardikar

Honors Theses

Chirality (or handedness) is the property that a structure is “different” from its mirror image. Topology can be used to provide a rigorous framework for the notion of chirality. This project examines various types of chirality and discusses tools to detect chirality in graphs and knots. Notable theorems that are discussed in this work include ones that identify chirality using properties of link polynomials (HOMFLY polynomials), rigid vertex graphs, and knot linking numbers. Various other issues of chirality are explored, and some specially unique structures are discussed. This paper is borne out of reading Dr. Erica Flapan’s book, When ...


Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich 2017 Iowa State University

Using Atto Dyes To Probe The Photocatalytic Activity Of Au−Cds Nanoparticles, Ujjal Bhattacharjee, Long Men, Bryan A. Rosales, Samuel R. Alvarado, Javier Vela, Jacob W. Petrich

Chemistry Publications

Metal−semiconductor nanohybrids (or heterostructures), such as Au−CdS, have become an important class of materials because of their role in photochemical hydrogen production and in other catalytic reactions. Here we report the results of photophysical studies of the interactions of these particles with ATTO dyes (ATTO 590 and 655), which are used as fluorescent probes in a wide range of spectroscopic techniques, most notably super-resolution microscopies. The most important feature of the Au−CdS particles is that they provide the possibility of selective excitation at either their CdS or their Au domains, which absorb preferentially at wavelengths shorter or ...


Investigation Of Host-Sensitized Luminescence Of Trivalent Lanthanide Doped Yttrium Phosphate Using Vuv Spectroscopy, Zachary Way 2017 Central Washington University

Investigation Of Host-Sensitized Luminescence Of Trivalent Lanthanide Doped Yttrium Phosphate Using Vuv Spectroscopy, Zachary Way

All Master's Theses

Host-sensitized luminescence of yttrium phosphate doped with trivalent lanthanide elements prepared via two synthetic approaches was studied using VUV spectroscopy. A correlation between an unusually intense 150 nm excitation intensity and the ground state energy level of select trivalent lanthanide elements was proposed. Using spectroscopy, the host-to-activator transfer efficiencies of YPO4:Ln3+ (Ln3+ = Sm3+, Eu3+ and Tb3+) were evaluated for two synthetic approaches. Electron-hole pair trapping efficiencies and Sloss values were calculated using published kinetic models.


Preventing Gene Expression Through The Interruption Of Dna Binding, Olivia Perdue 2017 Georgia Southern University

Preventing Gene Expression Through The Interruption Of Dna Binding, Olivia Perdue

University Honors Program Theses

The interruption of DNA binding is a gateway to the inhibition of unregulated expression of genes which can possibly lead to illnesses such as cancer and epilepsy. The goal of this research is to produce high affinity DNA binding molecules which could act to displace the binding of natural transcription factor thus reducing the over- or under-expression of various proteins. Literature shows that the interruption of DNA binding can be completed using both organic and inorganic means, such as by means of natural transcription factors like the NF-κB protein or with metal-ligand complexes in order to bind DNA. NF-κB, a ...


Polyol Induced Partitioning Of Essential Oils In Aqueous Organic Solvent Mixtures, Thomas DelMastro 2016 Seton Hall University

Polyol Induced Partitioning Of Essential Oils In Aqueous Organic Solvent Mixtures, Thomas Delmastro

Seton Hall University Dissertations and Theses (ETDs)

Polyol Induced Extraction (PIE) was developed and patented at Seton Hall University by Drs. John R. Sowa Jr., Wyatt R. Murphy, and Mithilesh Deshpande. It was originally discovered and implemented as a method to recycle and reuse waste acetonitrile during the production shortage in 2008. Through the use of PIE, a solvent mixture containing acetonitrile and water can be separated by employing a polyol mass separating agent, which induces a phase separation. The system is separated into its corresponding aqueous and organic phases, with the organic phase being a highly purified organic liquid. Based on the successful experimental results that ...


Three Body Interactions Of Rare Gas Solids Calculated Within The Einstein Model, Dan D'Andrea 2016 University of Tennessee, Knoxville

Three Body Interactions Of Rare Gas Solids Calculated Within The Einstein Model, Dan D'Andrea

Masters Theses

Three body interactions can become important in solids at higher pressures and densities as the molecules can come into close contact. At low temperatures, accurate studies of three body interactions in solids require averaging the three-body terms over the molecules' zero point motions. An efficient, but approximate, averaging approach is based on a polynomial approximation of the three-body term. The polynomial approximation can be developed as a function of the symmetry coordinates of a triangle displaced from its average geometry and also as a function of the Cartesian zero point displacements from each atom’s average position. The polynomial approximation ...


Synthetic Development Of Low Dimensional Materials, Long Men, Miles A. White, Himashi P. Andaraarachchi, Bryan A. Rosales, Javier Vela 2016 Iowa State University

Synthetic Development Of Low Dimensional Materials, Long Men, Miles A. White, Himashi P. Andaraarachchi, Bryan A. Rosales, Javier Vela

Chemistry Publications

In this invited paper, we highlight some of our most recent work on the synthesis of low dimensional nanomaterials. Current graduate students and members of our group present four specific case systems: Nowotny–Juza phases, nickel phosphides, germanium-based core/shells, and organolead mixed-halide perovskites. Each system is accompanied by commentary from the student involved, which explains the motivation behind their work, as well as a protocol detailing the key experimental considerations involved in their synthesis. We trust these and similar efforts will help further advance our understanding of the broader field of synthetic nanomaterials chemistry, while, at the same time ...


The Tribology And Chemistry Of Phosphorus Containing Lubricant Additives, David W. Johnson 2016 University of Dayton

The Tribology And Chemistry Of Phosphorus Containing Lubricant Additives, David W. Johnson

Chemistry Faculty Publications

Phosphate esters, thiophosphate esters and metal thiophosphates have been used as lubricant additives for over 50 years. Recently, phosphorus‐containing ionic liquids have emerged as a new class of lubricant additives. While the use of phosphorus compounds has been extensive, a detailed knowledge of how they work has been a much more recent development. In this chapter, the use of phosphate esters, thiophosphate esters, metal thiophosphates and phosphorus‐containing ionic liquids as antiwear or extreme pressure additives is discussed. The primary emphasis will be on how they form a protective film, which is both durable and reduces friction. The first ...


Polytypism And Unique Site Preference In Liznsb: A Superior Thermoelectric Reveals Its True Colors, Miles A. White, Gordon J. Miller, Javier Vela 2016 Iowa State University

Polytypism And Unique Site Preference In Liznsb: A Superior Thermoelectric Reveals Its True Colors, Miles A. White, Gordon J. Miller, Javier Vela

Chemistry Publications

The first example of polytypism in the I–II–V semiconductors has been demonstrated with the synthesis of cubic LiZnSb by a low-temperature solution-phase method. This phase exhibits a unique coloring pattern that is novel for this class of compounds. The choice of site configuration has a considerable impact on the band structure of these materials, which in turn affects the transport properties. While the hexagonal polytype has been suggested as a promising n-type and extremely poor p-type thermoelectric material, the cubic analogue is calculated to have high efficiencies for both the n- and p-type derivatives (1.64 and 1 ...


Persistent Dopants And Phase Segregation In Organolead Mixed-Halide Perovskites, Bryan A. Rosales, Long Men, Sarah D. Cady, Michael P. Hanrahan, Aaron J. Rossini, Javier Vela 2016 Iowa State University

Persistent Dopants And Phase Segregation In Organolead Mixed-Halide Perovskites, Bryan A. Rosales, Long Men, Sarah D. Cady, Michael P. Hanrahan, Aaron J. Rossini, Javier Vela

Chemistry Publications

Organolead mixed-halide perovskites such as CH3NH3PbX3–aX′a (X, X′ = I, Br, Cl) are interesting semiconductors because of their low cost, high photovoltaic power conversion efficiencies, enhanced moisture stability, and band gap tunability. Using a combination of optical absorption spectroscopy, powder X-ray diffraction (XRD), and, for the first time, 207Pb solid state nuclear magnetic resonance (ssNMR), we probe the extent of alloying and phase segregation in these materials. Because 207Pb ssNMR chemical shifts are highly sensitive to local coordination and electronic structure, and vary linearly with halogen electronegativity and band gap, this technique can provide the true chemical speciation and ...


The Investigation Of The Electrical Control Of Hemimicelles And Admicelles On Gold For Analyte Preconcentration, Dheyaa Hussein Al-Karawi 2016 Western Kentucky University

The Investigation Of The Electrical Control Of Hemimicelles And Admicelles On Gold For Analyte Preconcentration, Dheyaa Hussein Al-Karawi

Masters Theses & Specialist Projects

Hemimicelles and admicelles are well-investigated wonders in modern science; they are surfactant monolayers and surface adsorbed micelles, respectively. Capacitance measurements for monitoring the formation of dodecyl sulfate (DS) surfactant monolayer on positively charged gold substrates (planar gold) and the adsorbance of 2-naphthol onto DS surfactant monolayer were performed. The investigation of the electrical control of DS at various concentrations (4, 6, 16, and 32 mM) below and above the critical micelle concentration (CMC= 8 mM) on gold surfaces for analyte preconcentration, prior to chromatographic analysis, is presented. Charged ionic surfactants, such as DS, drawn to a surface of opposite charge ...


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