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Phosgene‐Free Route To Toluene Diisocyanate, Nasri Bou-Saba, Caryl Dizon, Devi Kasih, Bryce Stewart 2010 University of Pennsylvania

Phosgene‐Free Route To Toluene Diisocyanate, Nasri Bou-Saba, Caryl Dizon, Devi Kasih, Bryce Stewart

Senior Design Reports (CBE)

A Gulf Coast production plant was designed for a phosgene-free route manufacture of 2,4-toluene diisocyanate (TDI) from toluene diamine (TDA). The process was designed to generate 300 million pounds of TDI per year within the required process specifications. Two reactors were to be installed in order to improve the overall yield of TDI, followed by a series of three distillation columns to ensure highly pure market competitive product. Safety concerns, the start-up process, and other potential considerations are also included.

The results of economic analysis for the base case of the project returned a Net Present Value (NPV) of ...


Biopharmaceutical Process – Contract Development Organization: Startup, Andrew Chaffkin, Melissa Headberg, Louise Jacobovitz, Matthew Louie 2010 University of Pennsylvania

Biopharmaceutical Process – Contract Development Organization: Startup, Andrew Chaffkin, Melissa Headberg, Louise Jacobovitz, Matthew Louie

Senior Design Reports (CBE)

Due to their high specificity and the wide range of treatments they can provide, monoclonal antibodies (MAbs) from mammalian cell cultures have gained increasing popularity in therapeutics. As a result, treatments have become cheaper and easier to manufacture while maintaining their natural effectiveness, further increasing their appeal. Building MAb manufacturing facilities can be costly for biopharmaceutical companies, especially smaller biotech firms, and current production capacities are limited. As a result, there is an everincreasing demand for contract development organizations (CDOs). The CDO being proposed targets demand within this regime specific to MAbs entering clinical trials. It has the capability to ...


Conference Proceedings 3rd International Scientific Conference On “Energy Systems With It” At Alvsjö Fair In Association With Energitinget March 16-17 2010, Dr. Erik Dahlquist, Dr. Jenny Palm 2010 Malardalen University

Conference Proceedings 3rd International Scientific Conference On “Energy Systems With It” At Alvsjö Fair In Association With Energitinget March 16-17 2010, Dr. Erik Dahlquist, Dr. Jenny Palm

Dr. Erik Dahlquist

2010 “The Energiting” is performed for the 12th time. The International Scientific conference is arranged for the 3rd time. The organisers are Swedish Energy Agency, Mälardalen University and the Research School for Energy Systems with LiU, KTH, UU and CTH. The first topic will be “Energy systems” covering use of renewable energy sources, energy conversion and process efficiency improvement with new technologies, as well as societal aspects of the introduction of new technologies. The second topic is “Energy and IT”. This covers energy and load management, interaction between production, distribution and “consumption”, usage of data for decision support and control ...


Atomistic Analysis Of Phase Segregation Patterning In Binary Thin Films Using Applied Mechanical Fields, Alex M. Nieves, Vaclay Vitek, Talid Sinno 2010 University of Pennsylvania

Atomistic Analysis Of Phase Segregation Patterning In Binary Thin Films Using Applied Mechanical Fields, Alex M. Nieves, Vaclay Vitek, Talid Sinno

Departmental Papers (CBE)

The patterned compositional evolution in thin films of a binary alloy controlled by modulated stress fields is studied by employing Monte Carlo simulations. General features of stress-patterned phase segregation are probed using a binary Lennard-Jones potential in which the lattice misfit between the two components of the alloy is varied systematically. In general, patterning of the microstructure is found to be more robust in the low-mismatch binary systems because large lattice mismatch promotes plastic, and therefore, irreversible relaxation, during annealing. It is shown that some control over the relaxation process can be achieved by careful design of the applied thermal ...


Selective Recursive Kernel Learning For Online Identification Of Nonlinear Systems With Narx Form, Yi Liu, Haiqing Wang, Jiang Yu, Ping Li 2010 Zhejiang University

Selective Recursive Kernel Learning For Online Identification Of Nonlinear Systems With Narx Form, Yi Liu, Haiqing Wang, Jiang Yu, Ping Li

Dr. Yi Liu

Online identification of nonlinear systems is still an important while difficult task in practice. A general and simple online identification method, namely Selective Recursive Kernel Learning (SRKL), is proposed for multi-input–multi-output (MIMO) systems with the nonlinear autoregressive with exogenous input form. A two-stage RKL online identification framework is first formulated, where the information contained by a sample (i.e., the new arriving or old useless one) can be introduced into and/or deleted from the model, recursively. Then, a sparsification strategy to restrict the model complexity is developed to guarantee all the output channels of the MIMO model accurate ...


A Comparison Of Molten Sn And Bi For Solid Oxide Fuel Cell Anodes, Abhimanyu Jayakumar, Lee, Hornés, John M. Vohs, Raymond J. Gorte 2010 University of Penn

A Comparison Of Molten Sn And Bi For Solid Oxide Fuel Cell Anodes, Abhimanyu Jayakumar, Lee, Hornés, John M. Vohs, Raymond J. Gorte

Departmental Papers (CBE)

Molten Sn and Bi were examined at 973 and 1073 K for use as anodes in solid oxide fuel cells with yttria-stabilized zirconia (YSZ) electrolytes. Cells were operated under "battery" conditions, with dry He flow in the anode compartment, to characterize the electrochemical oxidation of the metals at the YSZ interface. For both metals, the open-circuit voltages (OCVs) were close to that expected based on their oxidation thermodynamics, ~0.93 V for Sn and ~0.48 V for Bi. With Sn, the cell performance degraded rapidly after the transfer of approximately 0.5-1.5 C/cm2 of charge due ...


P2y12 Or P2y1 Inhibitors Reduce Platelet Deposition In A Microfluidic Model Of Thrombosis While Apyrase Lacks Efficacy Under Flow Conditions, Maloney, Lawrence F. Brass, Scott L. Diamond 2010 University of Pennsylvania

P2y12 Or P2y1 Inhibitors Reduce Platelet Deposition In A Microfluidic Model Of Thrombosis While Apyrase Lacks Efficacy Under Flow Conditions, Maloney, Lawrence F. Brass, Scott L. Diamond

Departmental Papers (CBE)

Determination of the patient-specific response to antiplatelet agents facilitates proper dosing for both acute and chronic prophylaxis. "Closed" systems (with or without flow) may fail to predict pharmacological potency in situations where platelets rapidly accumulate under flow conditions at the site of thrombosis ("Open" systems). Using an 8-channel microfluidic flow assay of human whole blood with corn trypsin inhibitor (± PPACK) perfused over focul zones of collagen, dose-response curves were measured for pharmacological agents at a wall shear rate of 210 s-1. The P2Y1 inhibitor MRS 2179 (IC50 = 0.233 ± 0.132 µM) and P2Y12 inhibitor 2-MeSAMP ...


Curvature-Driven Molecular Demixing In The Budding And Breakup Of Mixed Component Worm-Like Miscelles, Loverde M. Sharon, Vanessa Ortiz, Randall D. Kamien, Michael L. Klein, Dennis E. Discher 2010 University of Pennsylvania

Curvature-Driven Molecular Demixing In The Budding And Breakup Of Mixed Component Worm-Like Miscelles, Loverde M. Sharon, Vanessa Ortiz, Randall D. Kamien, Michael L. Klein, Dennis E. Discher

Departmental Papers (CBE)

Amphiphilic block copolymers of suitable proportions can self-assemble into surprisingly long and stable worm-like micelles, but the intrinsic polydispersity of polymers as well as polymer blending efforts and the increasing use of degradable chains all raise basic questions of curvature–composition coupling and morphological stability of these high curvature assemblies. Molecular simulations here of polyethylene glycol (PEG) based systems show that a systematic increase in the hydrated PEG fraction, in both monodisperse and binary blends, induces budding and breakup into spherical and novel ‘dumbbell’ micelles—as seen in electron microscopy images of degradable worm-like micelles. Core dimension, d, in our ...


Effects Of Preparative Parameters On The Structure And Performance Of Ca-La Metal Oxide Catalysts For Oil Transesterification, Shuli Yan, Manhoe Kim, Siddharth Mohan, Steven O. Salley, K.Y. Simon Ng 2010 Wayne State University

Effects Of Preparative Parameters On The Structure And Performance Of Ca-La Metal Oxide Catalysts For Oil Transesterification, Shuli Yan, Manhoe Kim, Siddharth Mohan, Steven O. Salley, K.Y. Simon Ng

National Biofuels Energy Laboratory

The effects of preparative parameters on the surface basicity, composition, and transesterification activities of several Ca-La metal oxide catalysts were investigated. Four different preparation methods: ammonia-ethanol-carbon dioxide precipitation, physical mixing, impregnation, and co-precipitation, were studied. It was found that the ammonia-ethanol-carbon dioxide precipitation method resulted in the highest BET specific surface area, base strength and base site concentration. Moreover, catalyst surface composition and basicity are a function of calcination temperature, precipitants, pH, and molar ratio of Ca to La in precursor solution, and storage conditions. XRD, XPS, basicity and BET tests revealed that catalyst structure and dispersion of Ca species ...


Numerical Simulation Of Turbulent Gas-Particle Flow In A Riser Using A Quadrature-Based Moment Method, Alberto Passalacqua, Rodney O. Fox 2010 Iowa State University

Numerical Simulation Of Turbulent Gas-Particle Flow In A Riser Using A Quadrature-Based Moment Method, Alberto Passalacqua, Rodney O. Fox

Chemical and Biological Engineering Conference Presentations and Proceedings

Gas-particle flows are used in many industrial applications in the energy, oil and gas fields, such as coal gasification, production of light hydrocarbons by fluid catalytic cracking, catalytic combustion and different treatments aiming to reduce or eliminate pollutants. The particle phase of a gas-particle flow is described by analogy to a granular gas, by finding an approximate solution of the kinetic equation in the velocity-based number density function. In the recent past, many studies have been published on the mathematical modeling of gas-particle flows using hydrodynamic models (e.g. Enwald et al. 1996), where Navier-Stokes-type equations are solved to describe ...


Shaping A Functional And Sustainable Biofuels Industry Through Bridging Industrial Needs With Farmer Production Capabilities, Richard M. Cruse, James Richardson, Carl Herndl, Mack C. Shelley II, Elena Yu Polush, Brent H. Shanks, Carl Roberts 2010 Iowa State University

Shaping A Functional And Sustainable Biofuels Industry Through Bridging Industrial Needs With Farmer Production Capabilities, Richard M. Cruse, James Richardson, Carl Herndl, Mack C. Shelley Ii, Elena Yu Polush, Brent H. Shanks, Carl Roberts

Leopold Center Completed Grant Reports

In order for the biofuels industry to survive and succeed, it will need the cooperation of Iowa farmers to supply biomass. Farmers have concerns about production that need to be addressed in order to create a sustainable industry.


Characterization Of Biochars Produced From Cornstovers For Soil Amendment, James W. Leeq, MIchelle Kidder, Barbara R. Evans, Sokwon Paik, A.C. Buchanan III, Charles T. Garten, Robert C. Brown 2010 Oak Ridge National Laboratory

Characterization Of Biochars Produced From Cornstovers For Soil Amendment, James W. Leeq, Michelle Kidder, Barbara R. Evans, Sokwon Paik, A.C. Buchanan Iii, Charles T. Garten, Robert C. Brown

Mechanical Engineering Publications

Through cation exchange capacity assay, nitrogen adsorption−desorption surface area measurements, scanning electron microscopic imaging, infrared spectra and elemental analyses, we characterized biochar materials produced from cornstover under two different pyrolysis conditions, fast pyrolysis at 450 °C and gasification at 700 °C. Our experimental results showed that the cation exchange capacity (CEC) of the fast-pyrolytic char is about twice as high as that of the gasification char as well as that of a standard soil sample. The CEC values correlate well with the increase in the ratios of the oxygen atoms to the carbon atoms (O:C ratios) in the ...


Data Fusion For The Problem Of Protein Sidechain Assignment, Yang Lei 2010 University of Massachusetts Amherst

Data Fusion For The Problem Of Protein Sidechain Assignment, Yang Lei

Masters Theses 1911 - February 2014

In this thesis, we study the problem of protein side chain assignment (SCA) given

multiple sources of experimental and modeling data. In particular, the mechanism

of X-ray crystallography (X-ray) is re-examined using Fourier analysis, and a novel

probabilistic model of X-ray is proposed for SCA's decision making. The relationship

between the measurements in X-ray and the desired structure is reformulated in terms

of Discrete Fourier Transform (DFT). The decision making is performed by developing

a new resolution-dependent electron density map (EDM) model and applying

Maximum Likelihood (ML) estimation, which simply reduces to the Least Squares

(LS) solution. Calculation of ...


Synthetic Peptide Design For Functionalized Hydrogels: Development Of Cellularly Responsive Drug Delivery Platforms And Cyclic, Multivalent Peptide Derivatives Using Radical-Mediated Thiol-Ene/Thiol-Yne Chemistries, Alex Arthur Aimetti 2010 University of Colorado, Boulder

Synthetic Peptide Design For Functionalized Hydrogels: Development Of Cellularly Responsive Drug Delivery Platforms And Cyclic, Multivalent Peptide Derivatives Using Radical-Mediated Thiol-Ene/Thiol-Yne Chemistries, Alex Arthur Aimetti

Chemical & Biological Engineering Graduate Theses & Dissertations

Poly(ethylene glycol) (PEG)-based hydrogels represent a class of biomaterials with a growing interest for their application in numerous fields, such as drug delivery and regenerative medicine. PEG is commonly used in these applications due to its hydrophilic and bioinert properties. Additionally, peptides have been successfully incorporated within PEG hydrogels to serve as biological functionalities within a synthetic polymer platform. Peptide-functionalized PEG hydrogels have been shown to act as extracellular matrix (ECM)-mimics capable of enhancing cell survival, function, and differentiation. Alternatively, peptides can be designed to degrade in recognition of highly specific, cell-secreted proteases. This phenomenon has been ...


Targeted Polymeric Biomaterials For The Prevention Of Post Surgical Adhesions, John M. Medley 2010 University of Kentucky

Targeted Polymeric Biomaterials For The Prevention Of Post Surgical Adhesions, John M. Medley

University of Kentucky Doctoral Dissertations

Despite recent advances in surgical technique and the development of numerous therapeutic agents, the formation post surgical adhesions (PSA) continues to cause complications for many patients. In this research, we have employed a rational system to develop a novel treatment to address this clinical need. Based on an understanding of the biochemical events that lead to PSA formation, a series of targeted polymeric biomaterials was designed to interrupt the fibrin gel matrix propagation and suppress PSA formation.

Using group transfer polymerization, a series of well controlled block copolymers of polyacrylic acid and poly(ethylene glycol-methacrylate) based materials was synthesized. Subsequent ...


Self-Assembly Of Cdte Tetrapods Into Network Monolayers At The Air/Water Interface, Matthew Dave Goodman, Lei Zhao, Karen A. DeRocher, Jun Wang, Surya K. Mallapragada, Zhiqun Lin 2010 Iowa State University

Self-Assembly Of Cdte Tetrapods Into Network Monolayers At The Air/Water Interface, Matthew Dave Goodman, Lei Zhao, Karen A. Derocher, Jun Wang, Surya K. Mallapragada, Zhiqun Lin

Chemical and Biological Engineering Publications

Cadmium telluride (CdTe) tetrapods are synthesized with varying aspect ratios through multiple injections of the Te precursor, which provides an excellent means of controlling and tailoring the optical properties of the tetrapods. The self-assembly of CdTe tetrapods at the air/water interface is explored using the Langmuir-Blodgett (LB) technique due to potential use in solar cells arising from the intriguing tetrapod shape that improves charge transport and the optimum band gap energy of CdTe that enhances light absorption. Interestingly, the Langmuir isotherm shows two pressure plateau regions: one at ∼10 mN/m with the other at the high surface pressure ...


Sensing Polymer/Dna Polyplex Dissociation Using Quantum Dot Fluorophores, Bingqi Zhang, Yanjie Zhang, Surya K. Mallapragada, Aaron R. Clapp 2010 Iowa State University

Sensing Polymer/Dna Polyplex Dissociation Using Quantum Dot Fluorophores, Bingqi Zhang, Yanjie Zhang, Surya K. Mallapragada, Aaron R. Clapp

Chemical and Biological Engineering Publications

We characterized the dissociation of polymer/DNA polyplexes designed for gene delivery using water-soluble quantum dots (QDs). A pH-responsive pentablock copolymer was designed to form stable complexes with plasmid DNA via tertiary amine segments. Dissociation of the polyplex was induced using chloroquine where the efficiency of this process was sensed through changes in QD fluorescence. We found that increasing concentrations of pentablock copolymer and DNA led to quenching of QD fluorescence, while chloroquine alone had no measurable effect. The mechanism of quenching was elucidated by modeling the process as the combination of static and dynamic quenching from the pentablock copolymer ...


Tertiary Structure And Characterization Of A Glycoside Hydrolase Family 44 Endoglucanase From Clostridium Acetobutylicum, Christopher D. Warner, Julie A. Hoy, Taran C. Shilling, Michael J. Linnen, Nathaniel D. Ginder, Clark Ford, Richard B. Honzatko, Peter J. Reilly 2010 Iowa State University

Tertiary Structure And Characterization Of A Glycoside Hydrolase Family 44 Endoglucanase From Clostridium Acetobutylicum, Christopher D. Warner, Julie A. Hoy, Taran C. Shilling, Michael J. Linnen, Nathaniel D. Ginder, Clark Ford, Richard B. Honzatko, Peter J. Reilly

Chemical and Biological Engineering Publications

A gene encoding a glycoside hydrolase family 44 (GH44) protein from Clostridium acetobutylicum ATCC 824 was synthesized and transformed into Escherichia coli.The previously uncharacterized protein was expressed with a C-terminal His tag and purified by nickel-nitrilotriacetic acid affinity chromatography. Crystallization and X-ray diffraction to a 2.2-Å resolution revealed a triose phosphate isomerase (TIM) barrel-like structure with additional Greek key and β-sandwich folds, similar to other GH44 crystal structures. The enzyme hydrolyzes cellotetraose and larger cellooligosaccharides, yielding an unbalanced product distribution, including some glucose. It attacks carboxymethylcellulose and xylan at approximately the same rates. Its activity on carboxymethylcellulose is ...


Metabolic Engineering For Production Of Biorenewable Fuels And Chemicals: Contributions Of Synthetic Biology, Laura R. Jarboe, Xueli Zhang, Xuan Wang, Jonathan C. Moore, K. T. Shanmugam, Lonnie O. Ingram 2010 Iowa State University

Metabolic Engineering For Production Of Biorenewable Fuels And Chemicals: Contributions Of Synthetic Biology, Laura R. Jarboe, Xueli Zhang, Xuan Wang, Jonathan C. Moore, K. T. Shanmugam, Lonnie O. Ingram

Chemical and Biological Engineering Publications

Production of fuels and chemicals through microbial fermentation of plant material is a desirable alternative to petrochemicalbased production. Fermentative production of biorenewable fuels and chemicals requires the engineering of biocatalysts that can quickly and efficiently convert sugars to target products at a cost that is competitive with existing petrochemical-based processes. It is also important that biocatalysts be robust to extreme fermentation conditions, biomass-derived inhibitors, and their target products. Traditional metabolic engineering has made great advances in this area, but synthetic biology has contributed and will continue to contribute to this field, particularly with next-generation biofuels. This work reviews the use ...


Metabolic Analysis Of Wild-Type Escherichia Coli And A Pyruvate Dehydrogenase Complex (Pdhc)-Deficient Derivative Reveals The Role Of Pdhc In The Fermentative Metabolism Of Glucose, Abhishek Murarka, James M. Clomburg, Sean Moran, Jacqueline V. Shanks, Ramon Gonzalez 2010 Rice University

Metabolic Analysis Of Wild-Type Escherichia Coli And A Pyruvate Dehydrogenase Complex (Pdhc)-Deficient Derivative Reveals The Role Of Pdhc In The Fermentative Metabolism Of Glucose, Abhishek Murarka, James M. Clomburg, Sean Moran, Jacqueline V. Shanks, Ramon Gonzalez

Chemical and Biological Engineering Publications

Pyruvate is located at a metabolic junction of assimilatory and dissimilatory pathways and represents a switch point between respiratory and fermentative metabolism. In Escherichia coli, the pyruvate dehydrogenase complex (PDHC) and pyruvate formate-lyase are considered the primary routes of pyruvate conversion to acetyl-CoA for aerobic respiration and anaerobic fermentation, respectively. During glucose fermentation, the in vivo activity of PDHC has been reported as either very low or undetectable, and the role of this enzyme remains unknown. In this study, a comprehensive characterization of wild-type E. coli MG1655 and a PDHC-deficient derivative (Pdh) led to the identification of the role of ...


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