Chemical Engineering Commons^™

A Probabilistic View Of Protein Stability, Conformational Specificity, And Design, Jacob A. Stern, Tyler J. Free, Kimberlee L. Stern, Spencer Gardiner, Nicholas A. Dalley, Bradley Charles Bundy, Joshua L. Price, David Wingate, Dnnis Della Corte

Faculty Publications

Various approaches have used neural networks as probabilistic models for the design of protein sequences. These "inverse folding" models employ different objective functions, which come with trade-offs that have not been assessed in detail before. This study introduces probabilistic definitions of protein stability and conformational specificity and demonstrates the relationship between these chemical properties and the p(stucture|seq) Boltzmann probability objective. This links the Boltzmann probability objective function to experimentally verifiable outcomes. We propose a novel sequence decoding algorithm, referred to as “BayesDesign”, that leverages Bayes’ Rule to maximize the p(stucture|seq) objective instead of the p(seq|structure) objective common in inverse folding …

Tandem Internal Electric Fields In Intralayer/Interlayer Carbon Nitride Homojunction With A Directed Flow Of Photo-Excited Electrons For Photocatalysis, Jinqiang Zhang, Xiaojie Tan, Lei Shi, Haijun Chen, Yazi Liu, Shuaijun Wang, Xiaoguang Duan, Mingbo Wu, Hongqi Sun, Shaobin Wang

Research outputs 2022 to 2026

Photocatalytic hydrogen production is a green technology while significantly impeded by the sluggish and uncontrolled charge dynamics for less electron accumulation on catalyst surface. Herein, we proposed an effective strategy of epitaxial growth of a van der Waals (VDW) homojunction on an intralayer homojunction of carbon nitride for a controlled charge flow. Experimental and simulation collectively disclosed a tandem internal electric field (IEF) in the integrated hybrid, stringing a lateral IEF along the intralayer homojunction with a vertical IEF within the VDW homojunction. The planar IEF dominates laterally dispersive movement of charge carriers for their efficient separations and mobilities, meanwhile …

Recent Breakthroughs In Using Quantum Dots For Cancer Imaging And Drug Delivery Purposes, Aisha Hamidu, William G. Pitt, Ghaleb A. Husseini

Faculty Publications

Cancer is one of the leading causes of death worldwide. Because each person’s cancer may be unique, diagnosing and treating cancer is challenging. Advances in nanomedicine have made it possible to detect tumors and quickly investigate tumor cells at a cellular level in contrast to prior diagnostic techniques. Quantum dots (QDs) are functional nanoparticles reported to be useful for diagnosis. QDs are semiconducting tiny nanocrystals, 2–10 nm in diameter, with exceptional and useful optoelectronic properties that can be tailored to sensitively report on their environment. This review highlights these exceptional semiconducting QDs and their properties and synthesis methods when used …

Upgrading Biomass To Bio-Oil: Catalytic Hydrodeoxygenation And Pyrolysis Of Vanillin And Anisole Biomass Model Compounds, Ahmad J. Yaghi

Thesis/ Dissertation Defenses

The purpose of this project is to investigate capacity of selected formulations of catalysts toward the hydrodeoxygenation (HDO) of biomass model compounds in the gas phase with the underlying aim to produce hydrocarbon cuts that can be directly used as transportation fuels. The first part of this project is to devoted to illustrate procedures for the synthesis of potent (HDO) catalysts. Synthesized catalysts encompass nickel (Ni), cobalt (Co) and palladium (Pd) supported on zeolite, cerium oxide (CeO₂) or alumina (Al2O₃). Various characterization techniques such as X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR) were deployed to comprehend …

3d Cfd Simulation Of A Bubble Column With Internals: Validation Of Interfacial Forces And Internal Effects For Local Gas Holdup Predictions, Hayder Al-Naseri, J. P. Schlegel, Muthanna H. Al-Dahhan

Nuclear Engineering and Radiation Science Faculty Research & Creative Works

CFD models (turbulent models and interfacial forces) incorporated with the population balance model (PBM) have been validated, azimuthally, with the gamma-ray-computed tomography (CT) results to address the effect of the presence of internals with different arrangements and diameters. the superficial gas velocity applied was varied from 0.05 to 0.45 m/s. the results exhibit the capability to predict the hydrodynamics of the bubble column, further incorporating the population balance model and promoting the prediction of simulation in high superficial gas velocity. the effect of internals revealed that the gas holdup was significantly enhanced in the bubble column's wall region, while the …

Chitosan-Coated Lignin Nanoparticles Enhance Adsorption And Proliferation Of Alcanivorax Borkumensis At The Hexadecane-Water Interface, Amber J. Pete, Jin Gyun Lee, Michael G. Benton, Bhuvnesh Bharti

Chemical and Biochemical Engineering Faculty Research & Creative Works

Bioremediation of oil spills occurs when indigenous microbes metabolize petroleum hydrocarbons. Rapid proliferation of hydrocarbon-consuming bacteria near the oil-water interface is vital to optimizing the oil biodegradation rate. Adding nanoparticles (NPs) to microbial systems can enhance the bacterial growth rate. However, the role of NP source material and surface charge on their ability to impact bacterial growth and oil-water interface characteristics is poorly understood. Here, we investigate the role of NP composition and surface chemistry on the growth rate of hydrocarbon-consuming bacteria and its attachment to the oil-water interface. We use Alcanivorax borkumensis as a model organism because of its …

Dynamic Influence Diagram-Based Deep Reinforcement Learning Framework And Application For Decision Support For Operators In Control Rooms, Joseph Mietkiewicz, Ammar N. Abbas, Chidera W. Amazu, Anders L. Madsen, Gabriele Baldissone

Articles

In today’s complex industrial environment, operators are often faced with challenging situations that require quick and accurate decision-making. The human-machine interface (HMI) can display too much information, leading to information overload and potentially compromising the operator’s ability to respond effectively. To address this challenge, decision support models are needed to assist operators in identifying and responding to potential safety incidents. In this paper, we present an experiment to evaluate the effectiveness of a recommendation system in addressing the challenge of information overload. The case study focuses on a formaldehyde production simulator and examines the performance of an improved Human-Machine Interface …

Comparative Investigations On Microextraction And Conventional Air Sampling Techniques: Challenges And Future Directions, Firoz Ahmed, Mehedi Hasan Roni, Ashiqur Rahman, Sayed M A Salam

Al-Bahir

Microextraction technique (e.g., solid phase microextraction, thin film microextraction, in-tube extraction) brings a revolutionary change in air sampling techniques over the recent few years. This advanced technique exhibits a high pollutant extraction rate, a low retention time, and a lower error margin compared to conventional air sampling techniques. The accuracy range of microextraction technique (MET) was recorded ~90-95% to isolate the volatile organic components, oxygenated and halogenated carbon particles from the air. However, the efficiency of MET increases additional >3-5% when employed by coupled with gas chromatography or gas chromatography-mass spectrometry. The conventional sampling techniques (e.g., bag sampling, grab sampling) …

Solution And Film Self-Assembly Behavior Of A Block Copolymer Composed Of A Poly(Ionic Liquid) And A Stimuli-Responsive Weak Polyelectrolyte, Kayla Foley, Keisha B. Walters

Chemical Engineering Faculty Publications and Presentations

Cu(0)-mediated atom transfer radical polymerization was used to synthesize a poly(ionic liquid), poly[4-vinylbenzyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide] (PVBBImTf₂N), a stimuli-responsive polyelectrolyte, poly[2-(dimethylamino)ethyl methacrylate] (PDMAEMA), and a novel block copolymer formed from these two polymers. The synthesis of the block copolymer, poly[2-(dimethylamino) ethyl methacrylate]-block-[poly(4-vinylbenzyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide] (PDMAEMA-b-PVBBImTf₂N), was examined to evaluate the control of “livingness” polymerization, as indicated by molecular weight, characterizations of degree of polymerization, and ¹HNMR spectroscopy. 2D DOSY NMR measurements revealed the successful formation of block copolymer and the connection between the two polymer blocks. PDMAEMA-b-PVBBImTf₂N was further characterized …

Quantification Of Geodetic Strain Rate Uncertainties And Implications For Seismic Hazard Estimates, Jeremy Maurer, Kathryn Materna

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Geodetic velocity data provide first-order constraints on crustal surface strain rates, which in turn are linked to seismic hazard. Estimating the 2-D surface strain tensor everywhere requires knowledge of the surface velocity field everywhere, while geodetic data such as Global Navigation Satellite System (GNSS) only have spatially scattered measurements on the surface of the Earth. To use these data to estimate strain rates, some type of interpolation is required. In this study, we review methodologies for strain rate estimation and compare a suite of methods, including a new implementation based on the geostatistical method of kriging, to compare variation between …

Experimental Data Supporting Co2 Enhanced Oil Recovery And Storage Potential In The Bakken Petroleum System (Bps), University Of North Dakota. Energy And Environmental Research Center

EERC Brochures and Fact Sheets

Fact sheet on CO₂ enhanced oil recovery (EOR) in the Bakken petroleum system. Highlights experimental data concerning CO₂’s role in oil recovery in the region.

A Focused Review On Recycling And Hydrolysis Techniques Of Polyethylene Terephthalate, Hossein Abedsoltan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Polyethylene terephthalate (PET) is used in textile and packaging industries. The main source of PET production is fossil fuels with limited capacity. Also, PET products are single use that transform into high volumes of wastes, causing ecosystem problems. Recycling is proposed to confront this challenge. The four major PET recycling techniques are mechanical, chemical, pyrolysis, and enzymatic. Mechanical, pyrolysis, and enzymatic techniques have constrained capabilities to manage PET waste. Chemical recycling is the potential path to expanding recycling PET waste with possibility of upcycling and addressing dirty waste streams. Several chemical methods are introduced and discussed in literature. The five …

Syne1 Mutation Is Associated With Increased Tumor Mutation Burden And Immune Cell Infiltration In Ovarian Cancer, Laura M. Harbin, Nan Lin, Frederick R. Ueland, Jill M. Kolesar

Markey Cancer Center Faculty Publications

SYNE1, a nuclear envelope protein critical for cellular structure and signaling, is downregulated in numerous malignancies. SYNE1 alterations are found in 10% of gynecologic malignancies and 5% of epithelial ovarian cancers. Previous studies demonstrated an association between SYNE1 mutation, increased tumor mutation burden (TMB), and immunotherapy response. This study evaluates the SYNE1 mutation frequency, association with TMB, and downstream effects of SYNE1 mutation in ovarian cancer. Genetic information, including whole-exome sequencing, RNA analysis, and somatic tumor testing, was obtained for consenting ovarian cancer patients at an academic medical center. Mutation frequencies were compared between the institutional cohort and The Cancer …

Upgrading Biomass To Bio-Oil: Catalytic Hydrodeoxygenation And Pyrolysis Of Vanillin And Anisole Biomass Model Compounds, Ahmad J. Yaghi

Theses

The purpose of this project is to investigate capacity of selected formulations of catalysts toward the hydrodeoxygenation (HDO) of biomass model compounds in the gas phase with the underlying aim to produce hydrocarbon cuts that can be directly used as transportation fuels. The first part of this project is to devoted to illustrate procedures for the synthesis of potent (HDO) catalysts. Synthesized catalysts encompass nickel (Ni), cobalt (Co) and palladium (Pd) supported on zeolite, cerium oxide (CeO₂) or alumina (Al₂O₃). Various characterization techniques such as X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR) were deployed …

Bacterial Motion And Spread In Porous Environments, Yasser Almoteri

Dissertations

Micro-swimmers are ubiquitous in nature from soil and water to mammalian bodies and even many technological processes. Common known examples are microbes such as bacteria, micro-algae and micro-plankton, cells such as spermatozoa and organisms such as nematodes. These swimmers live and have evolved in multiplex environments and complex flows in the presence of other swimmers and types, inert particles and fibers, interfaces and non-trivial confinements and more. Understanding the locomotion and interactions of these individual micro-swimmers in such impure viscous fluids is crucial to understanding the emergent dynamics of such complex systems, and to further enabling us to control and …

Synergistic Effect Of Air Sparging In Separation Via Nano-Carbon Immobilized Membrane Distillation Process And Optimization, Mitun Chandra Bhoumick

Dissertations

Membrane distillation (MD) has gained significant popularity as a separation and purification technique in diverse domains, such as saline/brackish water treatment, organic recovery, and wastewater treatment. The objective of this research is to advance MD by developing a novel air sparged membrane distillation in treating saline water, recovering solvents, and achieving preconcentration. To optimize the flux and selectivity in membrane distillation, the study also employed a response surface method based on a central composite rotatable design.

In this study, a novel air-sparged membrane distillation (ASMD) is introduced for the treatment of saline water, utilizing a nanocarbon immobilized membrane. The performance …

Obtaining Sweet Molasses By The Method Of Hydromechanical And Enzymatic Processing Of Grain, Sadritdin Maxamatdinovich Turabdjanov, Kamoliddin Ahmadjonovich Mahmudov, Bexzod Alisherovich Kasimov, Kasun Dissanayake Kumara

Chemical Technology, Control and Management

Methods of hydrolysis of grains to starch under the influence of hydrodynamic and enzymatic processes are logically based. Polysaccharides derived from starchy grains are known and popular in the food industry for their thickening and stabilizing properties. To date, studies that allow for a deeper understanding of the mechanism of interaction of polysaccharide-containing products with their main components, the effect on the set of rheological, organoleptic, physico-chemical properties of food products that determine their functions are relevant.

Application Of Evolutionary Algorithms For Optimization Of Operation Modes Of Regional Electric Power Systems, Isamiddin Khakimovich Siddikov, Oksana Vitalevna Porubay

Chemical Technology, Control and Management

The paper presents the possibilities of using evolutionary algorithms to solve the problem of optimizing the operation modes of electric power facilities in the presence of constraints in the form of inequalities and equalities. The limits of constraints have a variable character, depending on the generated and consumed energy. Existing methods used for the optimization of modes are based on general principles and approaches to optimization, which usually adapt to the specifics of the problem. In electric power facilities, optimization problems have some peculiarities, among which is the presence of multiple constraints applied to both independent and dependent variables. Many …

Computer Training Systems For Training Engineering Personnel For Control Industrial Enterprises, Yusuf Shodiyevich Avazov, Kamola Rustamovna Abdullaeva

Chemical Technology, Control and Management

A principle has been proposed for constructing computer simulators for improving the qualifications of process control operators at industrial enterprises and for training students of higher educational institutions. The capabilities of a computer simulator that can be used as a digital assistant are revealed. Their architecture for building digital simulators is proposed. From the architecture it is clear that the computer simulator consists of two systems. The training process management system and the server of the computerized simulator are combined into a digital simulator. Simulators in this category provide student operators with the opportunity to develop skills in self-control of …

Use Of Neural Networks In Intelligent Measurement Tools, N.R Yusupbekov, Y.Sh. Avazov, Umidjon Ruziev Phd

Chemical Technology, Control and Management

The paper presents algorithms for processing the measurement signal with the possibilities of adaptation, learning and decision making. A comparative analysis of the methods of intellectual processing of measurement data is carried out. A model of a measuring instrument for determining the structure of a neural network has been developed. The problem of error reduction due to measurement noise filtering with the use of neural networks is considered. The structure of the neural network has been developed for intelligent processing of the measurement signal and ensuring the implementation of the functions of reconfiguration, calibration, self-diagnosis and self-control. A neural network …