BIOMOLECULAR SCIENCES

Angela Brown, ChBE Research Puiblication

Epigallocatechin gallate alters leukotoxin secretion and Aggregatibacter actinomycetemcomitans virulence

Angela Brown, En Hyung Chang

We and others have previously shown that epigallocatechin gallate (EGCg) inhibits the activity of an important virulence factor, leukotoxin (LtxA), produced by the oral bacterium Aggregatibacter actinomycetemcomitans, suggesting the potential use of this molecule as an anti-virulence strategy to treat periodontal infections. Here, we sought to better understand the effects of EGCg on toxin secretion and A. actinomycetemcomitans pathogenicity in a co-culture model.

Anand Jagota

Length of mucin-like domains enhances cell-Ebola virus adhesion by increasing binding probability

Xinyu Cui, Nicole Lapinski, Xiaohui (Frank) Zhang, Anand Jagota

Ebola and other viruses often stick to cells in the first stage of infection through spike-like protrusions.  Here, for the Ebola virus, we develop coarse-grained molecular models to study how the properties of the  protrusions affect adhesion.  This work will help identify potential therapies.

Kelly M. Schultz

Human mesenchymal stem cell-engineered length scale dependent rheology of the pericellular region measured with bi-disperse multiple particle tracking microrheology

John A.McGlynn, Kilian J.Druggan, Kiera J.Croland, Kelly M. Schultz

Human mesenchymal stem cell (hMSC) remodeling is a complex process across many length scales: single cross-links break on the nanometer scale, cellular extensions pull material and degrade paths through the scaffold to enable motility on the micrometer scale and bulk scaffold degradation occurs on macroscopic scales. We measure length scale dependent material properties during cell-mediated remodeling of the pericellular region using techniques developed in our laboratory, namely bi-disperse multiple particle tracking microrheology (MPT) and MPT. By characterizing evolving length scale dependent material properties, new materials can be designed which better mimic native tissue and instruct cell behavior.

ENERGY AND ENVIRONMENT

Jonas Baltrusaitis, ChBE Research Puiblication

Surface chemistry of hydroxyapatite for sustainable n-butanol production from bio-ethanol

Jonas Baltrusaitis, Daniyal Kiani

Understanding the catalyst surface chemistry is of paramount importance for the accelerated development of structure-activity/selectivity relationships that form the basis for the rational design and optimization of catalysts at large. Here, we highlight the state-of-the-art understanding regarding the surface chemistry of hydroxyapatite (HAp)—a catalyst that enables the production of value-added alcohols from bio-ethanol.

Mark A. Snyder, Christopher J. Kiely, and Steven McIntosh

Tailored Coupling of Biomineralized CdS Quantum Dots to rGO to Realize Ambient Aqueous Synthesis of a High-Performance Hydrogen Evolution Photocatalyst

John Sakizadeh, Joseph P. Cline, Mark A. Snyder, Christopher J. Kiely, and Steven McIntosh

We establish a green, biomineralization route for the efficient synthesis of nanostructured CdS-rGO photocatalysts. These materials can be utilized to directly generate hydrogen fuel from water using sunlight.

Elsa Reichmanis

Data Science Guided Experiments Identify Conjugated Polymer Solution Concentration as a Key Parameter in Device Performance

Rahul Venkatesh, Yulong Zheng, Campbell Viersen, Aaron Liu, Carlos Silva, Martha Grover, Elsa Reichmanis

A data science approach identified polymer solution concentration as a key parameter that helps to define the electronic performance of semiconducting polymers. The results will accelerate the design and development of sustainable materials and processes for flexible devices in applications ranging from energy storage and conversion to ubiquitous sensors for the IoT (Internet of Things).

Israel Wachs and Jonas Baltrusaitis

New Mechanistic and Reaction Pathway Insights for Oxidative Coupling of Methane (OCM) over Supported Na2WO4/SiO2 Catalysts

Sagar Sourav, Yixiao Wang, Daniyal Kiani, Jonas Baltrusaitis, Rebecca R. Fushimi, Israel E. Wachs

Oxidative coupling of methane is a catalytic chemistry whereby methane from shale gas can be converted into valuable products such as ethylene and Ethane. By carefully controlling the synthesis of a promising catalyst, viz. Na2WO4/SiO2, and by using sophisticated spectroscopic techniques, we gained new insights into how the catalyst functions (i.e. the active site and reaction mechanism). Our results provide directions on how to discover new and improved catalysts.

Mark Snyder

Scalable Biomineralization of CdS Quantum Dots by Immobilized Cystathionine γ-Lyase

Nur Koncuy Ozdemir, Joseph P. Cline, Christopher J. Kiely, Steven McIntosh, and Mark A. Snyder

Facile enzyme immobilization on inexpensive supports enables sustainable, green nanomanufacturing of remarkably consistent CdS quantum dots by regenerable enzymatic biomineralization.

MATERIALS AND INTERFACES

Mark A. Snyder, Christopher J. Kiely, and Steven McIntosh

Tailored Coupling of Biomineralized CdS Quantum Dots to rGO to Realize Ambient Aqueous Synthesis of a High-Performance Hydrogen Evolution Photocatalyst

John Sakizadeh, Joseph P. Cline, Mark A. Snyder, Christopher J. Kiely, and Steven McIntosh

We establish a green, biomineralization route for the efficient synthesis of nanostructured CdS-rGO photocatalysts. These materials can be utilized to directly generate hydrogen fuel from water using sunlight.

Elsa Reichmanis

Data Science Guided Experiments Identify Conjugated Polymer Solution Concentration as a Key Parameter in Device Performance

Rahul Venkatesh, Yulong Zheng, Campbell Viersen, Aaron Liu, Carlos Silva, Martha Grover, Elsa Reichmanis

A data science approach identified polymer solution concentration as a key parameter that helps to define the electronic performance of semiconducting polymers. The results will accelerate the design and development of sustainable materials and processes for flexible devices in applications ranging from energy storage and conversion to ubiquitous sensors for the IoT (Internet of Things).

Jonas Baltrusaitis, Israel Wachs

New Mechanistic and Reaction Pathway Insights for Oxidative Coupling of Methane (OCM) over Supported Na2WO4/SiO2 Catalysts

Sagar Sourav, Yixiao Wang, Daniyal Kiani, Jonas Baltrusaitis, Rebecca R. Fushimi, Israel E. Wachs

Oxidative coupling of methane is a catalytic chemistry whereby methane from shale gas can be converted into valuable products such as ethylene and Ethane. By carefully controlling the synthesis of a promising catalyst, viz. Na2WO4/SiO2, and by using sophisticated spectroscopic techniques, we gained new insights into how the catalyst functions (i.e. the active site and reaction mechanism). Our results provide directions on how to discover new and improved catalysts.

James F. Gilchrist

Chemical vs. mechanical microstructure evolution in drying colloid and polymer coatings

Thitiporn Kaewpetch & James F. Gilchrist

This study watches the structural rearrangement of particles within a drying film using 3D high speed confocal laser scanning microscopy.  The structural evolution is tied to the particle interactions and the drying conditions and has applications from industrial and automotive coatings to development of thin films for pharmaceutical drug delivery.

Kelly M. Schultz

Human mesenchymal stem cell-engineered length scale dependent rheology of the pericellular region measured with bi-disperse multiple particle tracking microrheology

John A.McGlynn, Kilian J.Druggan, Kiera J.Croland, Kelly M. Schultz

Human mesenchymal stem cell (hMSC) remodeling is a complex process across many length scales: single cross-links break on the nanometer scale, cellular extensions pull material and degrade paths through the scaffold to enable motility on the micrometer scale and bulk scaffold degradation occurs on macroscopic scales. We measure length scale dependent material properties during cell-mediated remodeling of the pericellular region using techniques developed in our laboratory, namely bi-disperse multiple particle tracking microrheology (MPT) and MPT. By characterizing evolving length scale dependent material properties, new materials can be designed which better mimic native tissue and instruct cell behavior.

Mark Snyder

Scalable Biomineralization of CdS Quantum Dots by Immobilized Cystathionine γ-Lyase

Nur Koncuy Ozdemir, Joseph P. Cline, Christopher J. Kiely, Steven McIntosh, and Mark A. Snyder

Facile enzyme immobilization on inexpensive supports enables sustainable, green nanomanufacturing of remarkably consistent CdS quantum dots by regenerable enzymatic biomineralization.

SYSTEMS, COMPUTATION & SIMULATIONS

Srinivas Rangarajan, ChBE Research Puiblication

Computing a Global Degree of Rate Control for Catalytic Systems

Srinivas Rangarajan, Huijie Tian

In this paper, we discuss the concept and properties of variance-based global sensitivity analysis, as an expansion of local sensitivity metrics (such as the degree of rate control), for modeling and design of catalytic reaction systems.

Elsa Reichmanis

Data Science Guided Experiments Identify Conjugated Polymer Solution Concentration as a Key Parameter in Device Performance

Rahul Venkatesh, Yulong Zheng, Campbell Viersen, Aaron Liu, Carlos Silva, Martha Grover, Elsa Reichmanis

A data science approach identified polymer solution concentration as a key parameter that helps to define the electronic performance of semiconducting polymers. The results will accelerate the design and development of sustainable materials and processes for flexible devices in applications ranging from energy storage and conversion to ubiquitous sensors for the IoT (Internet of Things).

Mayuresh Kothare

Experimental design of a “Snap-on” and standalone single-bed oxygen concentrator for medical applications

Rama Rao Vemula, Matthew D. Urich & Mayuresh V. Kothare

Recent demand for medical oxygen has grown exponentially due to the recent COVID-19 pandemic. To this end, a novel single-bed, “Snap-on” and standalone, medical oxygen concentrator design based on a rapid pressure swing adsorption process was investigated for continuous oxygen supply.