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Catalytic Conversion Reactions In Nanoporous Systems With Concentration-Dependent Selectivity: Statistical Mechanical Modeling, Andrés García, Jing Wang, Theresa L. Windus, Aaron D. Sadow, James W. Evans 2017 Iowa State University

Catalytic Conversion Reactions In Nanoporous Systems With Concentration-Dependent Selectivity: Statistical Mechanical Modeling, Andrés García, Jing Wang, Theresa L. Windus, Aaron D. Sadow, James W. Evans

Theresa Windus

Statistical mechanical modeling is developed to describe a catalytic conversion reaction A→Bc or Bt with concentration-dependent selectivity of the products, Bc or Bt, where reaction occurs inside catalytic particles traversed by narrow linear nanopores. The associated restricted diffusive transport, which in the extreme case is described by single-file diffusion, naturally induces strong concentration gradients. Furthermore, by comparing kinetic Monte Carlo simulation results with analytic treatments, selectivity is shown to be impacted by strong spatial correlations induced by restricted diffusivity in the presence of reaction and also by a subtle clustering of reactants, A.


Catalytic Conversion Reactions In Nanoporous Systems With Concentration-Dependent Selectivity: Statistical Mechanical Modeling, Andrés García, Jing Wang, Theresa L. Windus, Aaron D. Sadow, James W. Evans 2017 Iowa State University

Catalytic Conversion Reactions In Nanoporous Systems With Concentration-Dependent Selectivity: Statistical Mechanical Modeling, Andrés García, Jing Wang, Theresa L. Windus, Aaron D. Sadow, James W. Evans

James W. Evans

Statistical mechanical modeling is developed to describe a catalytic conversion reaction A→Bc or Bt with concentration-dependent selectivity of the products, Bc or Bt, where reaction occurs inside catalytic particles traversed by narrow linear nanopores. The associated restricted diffusive transport, which in the extreme case is described by single-file diffusion, naturally induces strong concentration gradients. Furthermore, by comparing kinetic Monte Carlo simulation results with analytic treatments, selectivity is shown to be impacted by strong spatial correlations induced by restricted diffusivity in the presence of reaction and also by a subtle clustering of reactants, A.


The Physical And Chemical Characteristics Of Lards And Other Fats In Relation To Their Culinary Value Ii. Use In Plain Cake, Belle Lowe, P. Mabel Nelson 2017 Iowa State College

The Physical And Chemical Characteristics Of Lards And Other Fats In Relation To Their Culinary Value Ii. Use In Plain Cake, Belle Lowe, P. Mabel Nelson

Research Bulletin (Iowa Agriculture and Home Economics Experiment Station)

These studies on the use of lards in plain cake were initiated in the fall of 1932 and completed during the summer of 1936. The major results of these investigations with cake have been included in a series of four theses by Martin (11), Buel (2), Minard (13) and Myers (15) .

Cakes containing fat may be divided into two types:

1. The pound cake, named from the proportions formerly used by our great-grandmothers, consists of a pound each of fat, sugar, flour and eggs, with no baking powder or soda. The volume of the cake depends upon the expansion of ...


The Advanced Spectroscopic Analysis Of Organic Gunshot Residue And Explosives, Jennifer M. Leonard 2017 The Graduate Center, City University of New York

The Advanced Spectroscopic Analysis Of Organic Gunshot Residue And Explosives, Jennifer M. Leonard

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

With the prevalence of shooting cases and terrorist attacks/or threats that plague the current state of the criminal justice system, it is of paramount importance to be able to detect, identify and interpret the presence of gunshot residue or explosives material. This concern is seen in law enforcement agencies and the media throughout the United States and abroad.

Currently, the typical method of analyzing gunshot residue in most crime laboratories serves to identify the inorganic constituents of the primer residue, namely lead, barium and antimony. However, it is possible that the organic matter from the propellant could provide different ...


Fluorine Toxicosis In The Albino Rat, J. A. Schultz 2017 Iowa State College

Fluorine Toxicosis In The Albino Rat, J. A. Schultz

Research Bulletin (Iowa Agriculture and Home Economics Experiment Station)

The toxicity of fluorine compounds once considered of little general importance is no longer so regarded. The increasing use of fluorides as insecticides, the discovery that fluorine may be a component of many foodstuffs and the work of Dr. Margaret Cammack Smith and associates (77·88) in proving that potable waters containing as little as 0.9 parts per million of fluorine may produce mottled teeth in growing children when regularly ingested over periods of several years, has excited much popular as well as scientific interest in fluorine toxicoses. Ostrem, Nelson, Greenwood and Wilhelm (55) have shown that this mottling ...


The Physical And Chemical Characteristics Of Lards And Other Fats In Relation To Their Culinary Value I. Shortening Value In Pastry And Cookies, Belle Lowe, P. Mabel Nelson, J. H. Buchanan 2017 Iowa State College

The Physical And Chemical Characteristics Of Lards And Other Fats In Relation To Their Culinary Value I. Shortening Value In Pastry And Cookies, Belle Lowe, P. Mabel Nelson, J. H. Buchanan

Research Bulletin (Iowa Agriculture and Home Economics Experiment Station)

These studies on the relationship of the physical and chemical characteristics and constants of lards and other fats to their culinary value were started during the fall of 1932 and completed during the summer of 1937.

The culinary tests were divided into three groups as follows: 1. The shortening power of lards and other fats in pastry and cookies. 2. the use of lards and other fats in plain cake, 3. the frying life of lards compared with other fats.

This section of the report presents the studies relating to the shortening value of lards as compared with other fats ...


A Computational Approach To Studying The Properties Of Photosensitizers In Photodynamic Therapy, Keenan Komoto 2017 Western Washington University

A Computational Approach To Studying The Properties Of Photosensitizers In Photodynamic Therapy, Keenan Komoto

Graduate Student Conference

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 ...


Fluorescently-Labeled Glutathiones To Quantify Cysteine Reactivity, Saloni H. Patolia 2017 College of William and Mary

Fluorescently-Labeled Glutathiones To Quantify Cysteine Reactivity, Saloni H. Patolia

Undergraduate Honors Theses

The purpose of this study was to quantify cysteine reactivity with fluorescently-labeled glutathiones. Previous work on fluorescein-labeled glutathiones had established that they undergo S-glutathionylation with GAPDH and tubulin cysteines. In the current study, the proteins GAPDH and LDH were reacted with fluorescein-labeled and dansyl-labeled glutathiones under different reaction conditions identical to steric, salt, and pH environments in a cell. These reactions were monitored via UV/Vis spectroscopy to obtain quantitative data on reactivity of GAPDH and LDH cysteines. Reactions were determined qualitatively through nitrocellulose membrane dot blots and SDS-PAGE gels. Cysteine reactivity with fluorescently- labeled glutathiones was shown to be ...


Analyzing The Kinetics Of A Bromophenol Blue Fading Reaction In Basic Conditions For An Undergraduate Lab, Zeljka Popovic 2017 Georgia College and State University

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 ...


Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon 2017 Georgia State University

Characterization Of Active Site Residues In Class I Nitronate Monooxygenase From Pseudomonas Aeruginosa Pao1, Christopher Aguillon

Georgia State Undergraduate Research Conference

No abstract provided.


Iso-Α-Acids Degradation In Beer, Emily Whittle 2017 Lynchburg College

Iso-Α-Acids Degradation In Beer, Emily Whittle

Student Scholar Showcase

Iso-a-acids are one of the key components that provide bitterness to beer. Understanding the stability of beer flavor over extended period is useful to the rapidly expanding craft beer industry and to the consumer. The lupulin glands of hops (Humulus Lupulus, L.) contain three a-acids: humulone, adhumulone, and cohumulone. The a-acids are converted to six iso-a-acids upon boiling, this is the main reason for boiling wort during the brewing process. The six iso-a-acids are cis­-isohumulone, trans-isohumulone, cis-isoadhumulone, trans-isoadhumulone, cis-isocohumulone, and trans-isocohumulone. We propose that the concentration of iso-a-acids in beer will decline over time ...


Technical Feasibility Of Selectively Separating Rare Earth Elements By Vapor Phase Extraction And Condensation, Katie Lyons 2017 Montana Tech

Technical Feasibility Of Selectively Separating Rare Earth Elements By Vapor Phase Extraction And Condensation, Katie Lyons

Graduate Theses & Non-Theses

Experiments were performed to evaluate the technical feasibility of selectively separating selected rare earth halides (bromides and chlorides) using a volatilization and condensation technique. Initially, optimum chloridizing and bromidizing roast parameters were secured in studies performed on reagent grade rare earth oxide samples and subsequently confirmed in tests performed on mineral ore and concentrate samples. The volatilization and condensation experiments were performed by placing the subject rare earth halide samples in an argon-purged multiple-zone tube furnace wherein the temperature profile was controlled to establish separate vaporization and condensation regions. Following each experiment, condensate and solid residue samples were analyzed to ...


Conservative Tryptophan Mutations In Protein Tyrosine Phosphatase Ptp1b And Its Effect On Catalytic Rate And Chemical Reaction, Teisha Richan 2017 Utah State University

Conservative Tryptophan Mutations In Protein Tyrosine Phosphatase Ptp1b And Its Effect On Catalytic Rate And Chemical Reaction, Teisha Richan

All Graduate Theses and Dissertations

Protein-tyrosine phosphatases (PTPs) catalyze the hydrolysis of phosphorylated tyrosines by a 2-step mechanism involving nucleophilic attack by cysteine and general acid catalysis by aspartic acid. In most PTPs the aspartic acid resides on a flexible protein loop, consisting of about a dozen residues, called the WPD loop. PTP catalysis rates span several orders of magnitude, and differences in WPD loop dynamics have recently been show to correlate with the rate of enzymatic catalysis. The rate of WPD loop motion could possibly be related to a widely conserved tryptophan residue on the WPD loop. Therefore, point mutants were made in PTP1B ...


Characterization Of The Mannose-6-Phosphate/Insulin-Like Growth Factor Ii Receptor Using 1-3mh, Zechariah Craig 2017 University of Nebraska at Omaha

Characterization Of The Mannose-6-Phosphate/Insulin-Like Growth Factor Ii Receptor Using 1-3mh, Zechariah Craig

Student Research and Creative Activity Fair

The mannose-6-phosphate/insulin-like growth factor 2 receptor (M6P/IGF2R), a recombinant triplet protein receptor for studies involving receptor dimerization, plays a pivotal role in mediating cellular growth. This receptor is comprised of fifteen similar units that fold into five triplet subunits. The goal of this experiment is to investigate how to make the 1-3MH protein more stable at the DNA level and generate a larger yield from DNA extractions for more effective transfections. This was accomplished by minorly changing the protocols for the DNA purification. Instead of using a standard column DNA purification kit, a crude DNA purification was done ...


Catalysis In Real Time Using X-Ray Lasers, A. Nilsson, Jerry L. LaRue, H. Öberg, H. Ogasawara, M. Dell’Angela, M. Beye, H. Öström, J. Gladh, J. K. Nørskov, W. Wurth, F. Abild-Pedersen, L. G. M. Pettersson 2017 Stockholm University

Catalysis In Real Time Using X-Ray Lasers, A. Nilsson, Jerry L. Larue, H. Öberg, H. Ogasawara, M. Dell’Angela, M. Beye, H. Öström, J. Gladh, J. K. Nørskov, W. Wurth, F. Abild-Pedersen, L. G. M. Pettersson

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We describe how the unique temporal and spectral characteristics of X-ray free-electron lasers (XFEL) can be utilized to follow chemical transformations in heterogeneous catalysis in real time. We highlight the systematic study of CO oxidation on Ru(0001), which we initiate either using a femtosecond pulse from an optical laser or by activating only the oxygen atoms using a THz pulse. We find that CO is promoted into an entropy-controlled precursor state prior to desorbing when the surface is heated in the absence of oxygen, whereas in the presence of oxygen, CO desorbs directly into the gas phase. We monitor ...


Management Of The Soybean Cyst Nematode By Using A Biorational Strategy, George A. Kraus, Gregory L. Tylka, Steve Van der Louw, Prabir K. Choudhury 2017 Iowa State University

Management Of The Soybean Cyst Nematode By Using A Biorational Strategy, George A. Kraus, Gregory L. Tylka, Steve Van Der Louw, Prabir K. Choudhury

Gregory Tylka

Analogs of glycinoclepin A have been shown to affect hatching of soybean cyst nematode cysts in laboratory conditions. Most analogs are hatch inhibitors. More complex bicyclic compounds may be hatch accelerators.


The Synthesis And Natural Distribution Of The Major Ketone Constituents In Echinacea Pallida, George A. Kraus, Jaehoon Bae, Lankun Wu, Eve Wurtele 2017 Iowa State University

The Synthesis And Natural Distribution Of The Major Ketone Constituents In Echinacea Pallida, George A. Kraus, Jaehoon Bae, Lankun Wu, Eve Wurtele

Eve Wurtele

The first synthesis of a series of ketones naturally occurring in E. pallida is described. The natural distribution of these ketones among different Echinacea species is also reported.


Synthesis And Natural Distribution Of Anti-Inflammatory Alkamides From Echinacea, George A. Kraus, Jaehoon Bae, Lankun Wu, Evve S. Wurtele 2017 Iowa State University

Synthesis And Natural Distribution Of Anti-Inflammatory Alkamides From Echinacea, George A. Kraus, Jaehoon Bae, Lankun Wu, Evve S. Wurtele

Eve Wurtele

The synthesis of the alkamides 2Z,4E-undeca-2,4-dien-8,10-diynoic acid isobutyl amide (1) and 2Z,4E-undeca-2,4-dien-8,10-diynoic acid isobutyl amide (5) was accomplished by organometallic coupling followed by introduction of the doubly unsaturated amide moiety. The distribution of these two amides in accessions of the nine species of Echinacea was determined.


Design Of Collagen-Mimetic Peptides, Parminder Jeet Kaur 2017 The Graduate Center, City University of New York

Design Of Collagen-Mimetic Peptides, Parminder Jeet Kaur

All Graduate Works by Year: Dissertations, Theses, and Capstone Projects

Collagen is the major component of the extracellular matrix and is involved in a wide range of cellular functions during tissue development and action. At the core of the diverse functions of this versatile protein is its remarkable ability to form supramolecular structures through self-assembly and/or through interactions with other biomolecules. One typical example of such supramolecular structure is the fibrils of collagen types I, II and III of the connective tissues. These fibrils have staggered arrangement of the laterally associated collagen triple helices – the structural unit of collagen – to form long, smooth fibrils with a characteristic 67 nm ...


Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification Of The Lumo Concept, Michael Schmidt, Emily A. Hull, Theresa Lynn Windus 2017 Iowa State University

Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification Of The Lumo Concept, Michael Schmidt, Emily A. Hull, Theresa Lynn Windus

Theresa Windus

Many chemical concepts hinge on the notion of an orbital called the lowest unoccupied molecular orbital, or LUMO. This hypothetical orbital and the much more concrete highest occupied molecular orbital (HOMO) constitute the two “frontier orbitals”, which rationalize a great deal of chemistry. A viable LUMO candidate should have a sensible energy value, a realistic shape with amplitude on those atoms where electron attachment or reduction or excitation processes occur, and often an antibonding correspondence to one of the highest occupied MOs. Unfortunately, today’s quantum chemistry calculations do not yield useful empty orbitals. Instead, the empty canonical orbitals form ...


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