Chemical Engineering Commons^™

Influence Of Alkali Metal Cations On The Oxygen Reduction Activity Of Pt5Y And Pt5Gd Alloys, Kun-Ting Song, Alexandra Zagalskaya, Christian M. Schott, Peter M. Schneider, Batyr Garlyyev, Vitaly Alexandrov, Aliaksandr S. Bandarenka

Department of Chemical and Biomolecular Engineering: Faculty Publications

Electrolyte species can significantly influence the electrocatalytic performance. In this work, we investigate the impact of alkali metal cations on the oxygen reduction reaction (ORR) on active Pt₅Gd and Pt₅Y polycrystalline electrodes. Due to the strain effects, Pt alloys exhibit a higher kinetic current density of ORR than pure Pt electrodes in acidic media. In alkaline solutions, the kinetic current density of ORR for Pt alloys decreases linearly with the decreasing hydration energy in the order of Li⁺ > Na⁺ > K⁺ > Rb⁺ > Cs⁺, whereas Pt shows the opposite trend. To gain …

A Review Of Proton Exchange Membrane Degradation Pathways, Mechanisms, And Mitigation Strategies In A Fuel Cell, Dharmjeet Madhav, Junru Wang, Rajesh Keloth, Jorben Mus, Frank Buysschaert, Veerle Vandeginste

Department of Chemical and Biomolecular Engineering: Faculty Publications

Proton exchange membrane fuel cells (PEMFCs) have the potential to tackle major challenges associated with fossil fuel-sourced energy consumption. Nafion, a perfluorosulfonic acid (PFSA) membrane that has high proton conductivity and good chemical stability, is a standard proton exchange membrane (PEM) used in PEMFCs. However, PEM degradation is one of the significant issues in the long-term operation of PEMFCs. Membrane degradation can lead to a decrease in the performance and the lifespan of PEMFCs. The membrane can degrade through chemical, mechanical, and thermal pathways. This paper reviews the different causes of all three routes of PFSA degradation, underlying mechanisms, their …

Strain-Dependent Activity-Stability Relations In Ruo2 And Iro2 Oxygen Evolution Catalysts, Payal Chaudhary, Alexandra Zagalskaya, Herbert Over, Vitaly Alexandrov

Department of Chemical and Biomolecular Engineering: Faculty Publications

Strain engineering is an effective strategy in modulating activity of electrocatalysts, but the effect of strain on electrochemical stability of catalysts remains poorly understood. In this work, we combine ab initio thermodynamics and molecular dynamics simulations to examine the role of compressive and tensile strain in the interplay between activity and stability of metal oxides considering RuO₂ and IrO₂ as exemplary catalysts. We reveal that although compressive strain leads to improved activity via the adsorbate-evolving mechanism of the oxygen evolution reaction, even small strains should substantially destabilize these catalysts promoting dissolution of transition metals. In contrast, our results …

Machine Learning And Metabolic Model Guided Crispri Reveals A Central Role For Phosphoglycerate Mutase In Chlamydia Trachomatis Persistence, Niaz Bahar Chowdhury, Nick Pokorzynski, Elizabeth A. Rucks, Scot P. Ouellette, Rey A. Carabeo, Rajib Saha

Department of Chemical and Biomolecular Engineering: Faculty Publications

Upon nutrient starvation, Chlamydia trachomatis serovar L2 (CTL) shifts from its normal growth to a non-replicating form, termed persistence. It is unclear if persistence is an adaptive response or lack of it. To understand that transcriptomics data were collected for nutrientsufficient and nutrient-starved CTL. Applying machine learning approaches on transcriptomics data revealed a global transcriptomic rewiring of CTL under stress conditions without having any global stress regulator. This indicated that CTL’s stress response is due to lack of an adaptive response mechanism. To investigate the impact of this on CTL metabolism, we reconstructed a genome-scale metabolic model of CTL (iCTL278) …

Vapor-Phase Synthesis Of Electrocatalytic Covalent Organic Frameworks, Syed Ibrahim Gnani Peer Mohamed, Shahriar Namvar, Tan Zhang, Hessam Shahbazi, Zhen Jiang, Andrew M. Rappe, Amin Salehi-Khojin, Siamak Nejati

Department of Chemical and Biomolecular Engineering: Faculty Publications

The inability to process many covalent organic frameworks (COFs) as thin films plagues their widespread utilization. Herein, a vapor-phase pathway for the bottom-up synthesis of a class of porphyrin-based COFs is presented. This approach allows integrating electrocatalysts made of metal-ion-containing COFs into the electrodes’ architectures in a single-step synthesis and deposition. By precisely controlling the metal sites at the atomic level, remarkable electrocatalytic performance is achieved, resulting in unprecedentedly high mass activity values. How the choice of metal atoms, i.e., cobalt and copper, can determine the catalytic activities of POR-COFs is demonstrated. The theoretical data proves that the Cu site …

Surface Antibody Changes Protein Corona Both In Human And Mouse Serum But Not Final Opsonization And Elimination Of Targeted Polymeric Nanoparticles, Sara Capolla, Federico Colombo, Luca De Maso, Prisca Mauro, Paolo Bertoncin, Thilo Kähne, Alexander Engler, Luis Núñez, Gustavo Larsen, Et Al.

Department of Chemical and Biomolecular Engineering: Faculty Publications

Background: Nanoparticles represent one of the most important innovations in the medical field. Among nanocarriers, polymeric nanoparticles (PNPs) attracted much attention due to their biodegradability, biocompatibility, and capacity to increase efficacy and safety of encapsulated drugs. Another important improvement in the use of nanoparticles as delivery systems is the conjugation of a targeting agent that enables the nanoparticles to accumulate in a specific tissue. Despite these advantages, the clinical translation of therapeutic approaches based on nanoparticles is prevented by their interactions with blood proteins. In fact, the so-formed protein corona (PC) drastically alters the biological identity of the particles. Adsorbed …

Molecular Separation By Using Active And Passive Microfluidic Chip Designs: A Comprehensive Review, A. Ebrahimi, K. Icoz, R. Didarian, C.-H. Shih, A. Akpek, Berivan Cecen, Sabanci A. Bal-Ozturk, K. Güleç, Y.-C.E Li, S. Shih, B. Sirma Tarim, H.C. Tekin, E. Alarçin, H. Ghorbanpoor, C. Özel, A. Eker Sarıboyacı, Guzel F. Dogan, N. Bassous, S.R. Shin, H. Avci

Henry M. Rowan College of Engineering Departmental Research

Separation and identification of molecules and biomolecules such as nucleic acids, proteins, and polysaccharides from complex fluids are known to be important due to unmet needs in various applications. Generally, many different separation techniques, including chromatography, electrophoresis, and magnetophoresis, have been developed to identify the target molecules precisely. However, these techniques are expensive and time consuming. “Lab-on-a-chip” systems with low cost per device, quick analysis capabilities, and minimal sample consumption seem to be ideal candidates for separating particles, cells, blood samples, and molecules. From this perspective, different microfluidic-based techniques have been extensively developed in the past two decades to separate …

A Multi-Organ Maize Metabolic Model Connects Temperature Stress With Energy Production And Reducing Power Generation, Niaz Bahar Chowdhury, Margaret Simons- Senftle, Berengere Decouard, Isabelle Quillere, Martine Rigault, Karuna Anna Sajeevan, Bibek Acharya, Ratul Chowdhury, Bertrand Hirel, Alia Dellagi, Costas Maranas, Rajib Saha

Department of Chemical and Biomolecular Engineering: Faculty Publications

Climate change has adversely affected maize productivity. Thereby, a holistic understanding of metabolic crosstalk among its organs is important to address this issue. Thus, we reconstructed the first multi-organ maize metabolicmodel, iZMA6517, and contextualized itwith heat and cold stress transcriptomics data using expression distributed reaction flux measurement (EXTREAM) algorithm. Furthermore, implementing metabolic bottleneck analysis on contextualized models revealed differences between these stresses. While both stresses had reducing power bottlenecks, heat stress had additional energy generation bottlenecks.We also performed thermodynamic driving force analysis, revealing thermodynamics-reducing power-energy generation axis dictating the nature of temperature stress responses. Thus, a temperaturetolerant maize ideotype can …

Conduction Mechanism Switching From Coulomb Blockade To Classical Critical Percolation Behavior In Disordered Nanoparticle Array, Abhijeet Prasad, Jay Min Lim, Ravi Saraf

Department of Chemical and Biomolecular Engineering: Faculty Publications

Large, open-gate transistors made from metal nanoparticle arrays offer possibilities to build new electronic devices, such as sensors. A nanoparticle necklace network (N³) of Au particles from 300 K to cryogenic temperatures exhibit a nonohmic I–V_d behavior, I ≈ (V_d–V_T)^𝜻, where V_T is a conduction gap and 𝜻 is a constant critical exponent. The conduction gap in N³, made from disordered networks of 1D chains of 10 nm diameter Au particles exhibits room temperature (RT) gating. Although the I–V_d behavior at RT is identical to Coulomb blockade, …

Engineering Multifunctional Adhesive Hydrogel Patches For Biomedical Applications, Aishik Chakraborty, Shana Alexander, Wei Luo, Narisse Al-Salam, Mia Van Oirschot, Sudhir H. Ranganath, Subrata Chakrabarti, Arghya Paul

Chemical and Biochemical Engineering Publications

Traditional patches, such as sticking plaster or acrylic adhesives used for over a hundred years, lack functionality. To address this issue of poor functionality, adhesive hydrogel patches have emerged as an efficient bioactive multifunctional alternative. Hydrogels are three-dimensional, water-swellable, and polymeric materials closely resembling the native tissue architecture. The physicochemical properties of hydrogels can be modified easily, allowing them to be suitable for various biomedical applications. Moreover, adhesive properties can be imparted to hydrogels through physicochemical manipulations, making them ideal candidates for supplementing or replacing traditional sticking plaster. As a result, sticky hydrogel patches are widely used for transdermal drug …

Tailoring The Inherent Properties Of Biobased Nanoparticles For Nanomedicine, Alap Ali Zahid, Aishik Chakraborty, Wei Luo, Ali Coyle, Arghya Paul

Chemical and Biochemical Engineering Publications

Biobased nanoparticles are at the leading edge of the rapidly developing field of nanomedicine and biotherapeutics. Their unique size, shape, and biophysical properties make them attractive tools for biomedical research, including vaccination, targeted drug delivery, and immune therapy. These nanoparticles are engineered to present native cell receptors and proteins on their surfaces, providing a biomimicking camouflage for therapeutic cargo to evade rapid degradation, immune rejection, inflammation, and clearance. Despite showing promising clinical relevance, commercial implementation of these biobased nanoparticles is yet to be fully realized. In this perspective, we discuss advanced biobased nanoparticle designs used in medical applications, such as …

The Plastics Collection Reference Packet, Special Collections Research Center

Special Collections

This reference packet is an informational tool to support further research into the history of plastics—whether interested in companies, individuals within the plastics industry's history, historical plastics materials, essays, and more. All content featured within this packet was previously published on the former plastics.syr.edu website as part of a Syracuse University Libraries and Special Collections Research Center (SCRC) partnership established in 2007 with the Plastics Pioneers Association (PPA)—an association of plastics industry professionals interested in preserving the plastics industry's past.

Protocol To Develop A Synthetic Biology Toolkit For The Non-Model Bacterium R. Palustris, Mark Kathol, Cheryl Immethun, Rajib Saha

Department of Chemical and Biomolecular Engineering: Faculty Publications

Numerous biology tools are developed to work for model organisms, which, however, do not work effectively in non-model organisms. Here, we present a protocol for developing a synthetic biology toolkit for Rhodopseudomonas palustris CGA009, a non-model bacterium with unique metabolic properties. We describe steps for introducing and characterizing biological devices in nonmodel bacteria, such as the utilization of fluorescence markers and RT-qPCR. This protocol may also be applicable for other non-model organisms. For complete details on the use and execution of this protocol, please refer to Immethun et al..¹

S8e10: How Can Nature-Inspired Engineering Improve Human Health?, Ron Lisnet, Caitlin Howell

The Maine Question

Antibiotic resistance has become a growing problem in the treatment of bacterial infections. In addition to minimizing or negating the effects of existing medicine, these antibiotic-resistant bacteria, or “superbugs,” are mutating faster than the development of new remedies.

Caitlin Howell, University of Maine associate professor of biomedical engineering, is working on new tools that take notes from nature to combat antibiotic-resistant bacteria. Similar to the way in which the human body keeps balance with its own bacterial populations, Howell’s devices use nontoxic, non-invasive surface-based technology to trap bacteria and prevent them from spreading.

In this episode of “The Maine Question” …

Mitochondrial Complex Iii Bypass Complex I To Induce Ros In Gpr17 Signaling Activation In Gbm, Sana Kari, Jeyalakshmi Kandhavelu, Akshaya Murugesan, Ramesh Thiyagarajan, Srivatsan Kidambi, Meenakshisundaram Kandhavelu

Department of Chemical and Biomolecular Engineering: Faculty Publications

Guanine nucleotide binding protein (G protein) coupled receptor 17 (GPR17) plays crucial role in Glioblastoma multiforme (GBM) cell signaling and is primarily associated with reactive oxidative species (ROS) production and cell death. However, the underlying mechanisms by which GPR17 regulates ROS level and mitochondrial electron transport chain (ETC) complexes are still unknown. Here, we investigate the novel link between the GPR17 receptor and ETC complex I and III in regulating level of intracellular ROS (ROSi) in GBM using pharmacological inhibitors and gene expression profiling. Incubation of 1321N1 GBM cells with ETC I inhibitor and GPR17 agonist decreased the ROS level, …

Protocol To Engineer Nanofilms Embedded Lipid Nanoparticles For Controlled And Targeted Drug Delivery (Nectar), Rashi Porwal, Stephen L. Hayward, Srivatsan Kidambi

Department of Chemical and Biomolecular Engineering: Faculty Publications

We present a protocol to engineer a substrate-mediated delivery platform comprising hyaluronic acid-coated lipid nanoparticles (HALNPs) embedded into polyelectrolyte multilayer (PEM) films. This platform allows controlled spatiotemporal release of lipid nanoparticles (LNP) by embedding them within the polyelectrolyte multilayer films matrix. HALNP conjugate with antibodies also adds the ability for targeted delivery. The use of LNP enables this platform to encapsulate both hydrophobic and hydrophilic drugs. This platform can easily be reproduced and utilized for various biomedical drug delivery applications. For complete details on the use and execution of this protocol, please refer to Hayward et al. (2015, 2016a, 2016b), …

Computational Discovery Of Active And Selective Metal- Nitrogen-Graphene Catalysts For Electrooxidation Of Water To H2O2, Payal Chaudhary, Iman Evazzade, Rodion Belosludov,, Vitaly Alexandrov

Department of Chemical and Biomolecular Engineering: Faculty Publications

A direct electrosynthesis of H₂O₂ from either O₂ or H₂O is an attractive strategy to replace the energy-intensive industrial anthraquinone process. Two-electron water oxidation reaction (2e-WOR) offers several advantages over the oxygen reduction reaction such as better mass transfer due to the absence of gasphase reactants. However, 2e-WOR is a more challenging and less studied process with only a handful of metal oxides exhibiting reasonable activity/selectivity properties. Herein, we employ density-functional-theory calculations to screen a variety of metal-nitrogen-graphene structures for 2e-WOR. As a consequence of scaling between the adsorption energies of reaction intermediates, we …

An Older Diabetes-Induced Mice Model For Studying Skin Wound Healing, Carlos Poblete Jara, Guilherme Nogueira, Joseane Morari, Thaís Paulino Do Prado, Renan De Medeiros Bezerra, Lício A. Velloso, William Velander, Eliana Pereira De Araújo

Department of Chemical and Biomolecular Engineering: Faculty Publications

Advances in wound treatment depend on the availability of animal models that reflect key aspects of human wound healing physiology. To this date, the accepted mouse models do not reflect defects in the healing process for chronic wounds that are associated with type two diabetic skin ulcers. The long term, systemic physiologic stress that occurs in middle aged or older Type 2 diabetes patients is difficult to simulate in preclinical animal model. We have strived to incorporate the essential elements of this stress in a manageable mouse model: long term metabolic stress from obesity to include the effects of middle …

Advancing Ionomer Design To Boost Interfacial And Thin-Film Proton Conductivity Via Styrene-Calix[4]Arene-Based Ionomers, Shyambo Chatterjee, Oghenetega Allen Obewhere, Ehsan Zamani, Rajesh Keloth, Seefat Farzin, Martha D. Morton, Anandakumar Sarella, Shudipto Konika Dishari

Department of Chemical and Biomolecular Engineering: Faculty Publications

Sub-micrometer-thick ion-conducting polymer (ionomer) layers often suffer from poor ionic conductivity at the substrate/catalyst interface. The weak proton conductivity makes the electrochemical reaction at the cathode of proton-exchange-membrane fuel cells sluggish. To address this, here we report on a class of polystyrene-based ionomers having sub-nanometer-sized, sulfonated macrocyclic calix[4]arene-based pendants (PS-calix). In films with thickness comparable to that of ionomer-based binder layers, the conductivity of PS-calix film (∼41 mS/cm) is ∼13 times higher than that of the current state-of-the-art ionomer, Nafion. We observe a similar improvement in proton conductivity when PS-calix interfaces with Pt nanoparticles, demonstrating the potential of PS-calix in …

Coupling Atr-Ftir Spectroscopy With Multivariate Analysis For Polymers Manufacturing And Control Of Polymers’ Molecular Weight, Tung Nguyen, Ahmad Arabi Shamsabadi, Mona Bavarian

Department of Chemical and Biomolecular Engineering: Faculty Publications

Acrylate-based polymers are commonly used in the chemical industry. Consistent manufacturing of these polymers with the help of Process Analytical Technology (PAT) is very desirable. The capability of monitoring polymers’ molecular weight in real-time reduces operation time and eliminates the frequent samplings needed for quality control. Herein, molecular weight (M_w) of glycidyl methacrylate-co-methyl methacrylate (GMA-co- MMA) copolymer was monitored in real-time using mid-infrared ATR-FTIR spectroscopy. The Principal Component Analysis (PCA) and Partial Least Square (PLS) models were then utilized to examine, improve the latent space, and select high-quality spectra. We show that acquiring highly correlated spectra enhances the …

Coupling Nitrate Capture With Ammonia Production Through Bifunctional Redox-Electrodes, Kwiyong Kim, Alexandra Zagalskaya, Jing Lian Ng, Jaeyoung Hong, Vitaly Alexandrov, Tuan Anh Pham, Xiao Su

Department of Chemical and Biomolecular Engineering: Faculty Publications

Nitrate is a ubiquitous aqueous pollutant from agricultural and industrial activities. At the same time, conversion of nitrate to ammonia provides an attractive solution for the coupled environmental and energy challenge underlying the nitrogen cycle, by valorizing a pollutant to a carbon-free energy carrier and essential chemical feedstock. Mass transport limitations are a key obstacle to the efficient conversion of nitrate to ammonia from water streams, due to the dilute concentration of nitrate. Here, we develop bifunctional electrodes that couple a nitrate-selective redox-electrosorbent (polyaniline) with an electrocatalyst (cobalt oxide) for nitrate to ammonium conversion. We demonstrate the synergistic reactive separation …

Increased Liver Stiffness Promotes Hepatitis B Progression By Impairing Innate Immunity In Ccl4-Induced Fibrotic Hbv+ Transgenic Mice, Grace Bybee, Youra Moeun, Weimin Wang, Kusum K. Kharbanda, Larisa Y. Poluektova, Srivatsan Kidambi, Natalia A. Osna, Murali Ganesan

Department of Chemical and Biomolecular Engineering: Faculty Publications

Background: Hepatitis B virus (HBV) infection develops as an acute or chronic liver disease, which progresses from steatosis, hepatitis, and fibrosis to end-stage liver diseases such as cirrhosis and hepatocellular carcinoma (HCC). An increased stromal stiffness accompanies fibrosis in chronic liver diseases and is considered a strong predictor for disease progression. The goal of this study was to establish the mechanisms by which enhanced liver stiffness regulates HBV infectivity in the fibrotic liver tissue. Methods: For in vitro studies, HBV-transfected HepG2.2.15 cells were cultured on polydimethylsiloxane gels coated by polyelectrolyte multilayer films of 2 kPa (soft) or 24 kPa (stiff) …

Conductive 3d Nano-Biohybrid Systems Based On Densified Carbon Nanotube Forests And Living Cells, Roya Bagheri, Alicia K. Ball, Masoud Kasraie, Aparna Chandra, Xinqian Chen, Ibrahim Miskioglu, Zhiying Shan, Parisa Pour Shahid Saeed Abadi

Michigan Tech Publications, Part 2

Conductive biohybrid cell-material systems have applications in bioelectronics and biorobotics. To date, conductive scaffolds are limited to those with low electrical conductivity or 2D sheets. Here, 3D biohybrid conductive systems are developed using fibroblasts or cardiomyocytes integrated with carbon nanotube (CNT) forests that are densified due to interactions with a gelatin coating. CNT forest scaffolds with a height range of 120–240 µm and an average electrical conductivity of 0.6 S/cm are developed and shown to be cytocompatible as evidenced from greater than 89% viability measured by live-dead assay on both cells on day 1. The cells spread on top and …

Mesenchymal Stromal Cells And Alpha-1 Antitrypsin Have A Strong Synergy In Modulating Inflammation And Its Resolution, Li Han, Xinran Wu, Ou Wang, Xiao Luan, William Velander, Michael Aynardi, E. Scott Halstead, Anthony S. Bonavia, Rong Jin, Guohong Li, Yulong Li, Yong Wang, Cheng Dong, Yuguo Lei

Department of Chemical and Biomolecular Engineering: Faculty Publications

Rationale: Trauma, surgery, and infection can cause severe inflammation. Both dysregulated inflammation intensity and duration can lead to significant tissue injuries, organ dysfunction, mortality, and morbidity. Anti-inflammatory drugs such as steroids and immunosuppressants can dampen inflammation intensity, but they derail inflammation resolution, compromise normal immunity, and have significant adverse effects. The natural inflammation regulator mesenchymal stromal cells (MSCs) have high therapeutic potential because of their unique capabilities to mitigate inflammation intensity, enhance normal immunity, and accelerate inflammation resolution and tissue healing. Furthermore, clinical studies have shown that MSCs are safe and effective. However, they are not potent enough, alone, to …

Controlling Differentiation Of Adult Stem Cells Via Cell-Derived Nanoparticles: Implications In Bone Repair, Shruthi Polla Ravi, Yasmeen Shamiya, Aishik Chakraborty, Ali Coyle, Alap A. Zahid, Jin Wang, Michael Boutilier, Emmanuel Ho, Arghya Paul

Chemical and Biochemical Engineering Publications

No abstract provided.

In Vitro Models For The Study Of Liver Biology And Diseases: Advances And Limitations, Savneet Kaur, Srivatsan Kidambi, Martí Ortega-Ribera, Le Thi Thanh Thuy, Natalia Nieto, Victoria C. Cogger, Wei-Fen Xie, Frank Tacke, Jordi Gracia-Sancho

Department of Chemical and Biomolecular Engineering: Faculty Publications

In vitro models of liver (patho)physiology, new technologies, and experimental approaches are progressing rapidly. Based on cell lines, induced pluripotent stem cells or primary cells derived from mouse or human liver as well as whole tissue (slices), such in vitro single- and multicellular models, including complex microfluidic organ-on-a-chip systems, provide tools to functionally understand mechanisms of liver health and disease. The International Society of Hepatic Sinusoidal Research (ISHSR) commissioned this working group to review the currently available in vitro liver models and describe the advantages and disadvantages of each in the context of evaluating their use for the study of …

Genetic Code Expansion In Pseudomonas Putida Kt2440, Xinyuan He, Tian Gao, Yan Chen, Kun Liu, Jiantao Guo, Wei Niu

Department of Chemical and Biomolecular Engineering: Faculty Publications

Pseudomonas putida KT2440 is an emerging microbial chassis for bio-based chemical production from renewable feedstocks and environmental bioremediation. However, tools for studying, engineering, and modulating protein complexes and biosynthetic enzymes in this organism are largely underdeveloped. Genetic code expansion for the incorporation of unnatural amino acids (unAAs) into proteins can advance such efforts and, furthermore, enable additional controls of biological processes of the strain. In this work, we established the orthogonality of two widely used archaeal tRNA synthetase and tRNA pairs in KT2440. Following the optimization of decoding systems, four unAAs were incorporated into proteins in response to a UAG …

Ab Initio Insight Into The Electrolysis Of Water On Basal And Edge (Fullerene C20) Surfaces Of 4 Å Single-Walled Carbon Nanotubes, Zhen Jiang, Nadia N. Intan, Qiong Yang

Department of Chemical and Biomolecular Engineering: Faculty Publications

The extreme surface reactivity of 4 Å single-walled carbon nanotubes (SWCNTs) makes for a very promising catalytic material, however, controlling it experimentally has been found to be challenging. Here, we employ ab initio calculations to investigate the extent of surface reactivity and functionalization of 4 Å SWCNTs. We study the kinetics of water dissociation and adsorption on the surface of 4 Å SWCNTs with three different configurations: armchair (3,3), chiral (4,2) and zigzag (5,0). We reveal that out of three different configurations of 4 Å SWCNTs, the surface of tube (5,0) is the most reactive due to its small HOMO–LUMO …

Correlating The Macrostructural Variations Of An Ion Gel With Its Carbon Dioxide Sorption Capacity, Tung Nguyen,, Mona Bavarian, Siamak Nejati

Department of Chemical and Biomolecular Engineering: Faculty Publications

We report on a direct correlation between the macroscale structural variations and the gas sorption capacities of an ion gel. Here, we chose 1-ethyl-3-methylimidazolium bis(trifluoromethyl sulfonyl)imide ([Emim][TF₂N]) and poly(vinylidene fluoride)-co-hexafluoropropylene (PVDF-HFP) as the ionic liquid and host polymer, respectively. The CO₂ sorption in the thin films of the IL-polymer was measured using the gravimetric method. The results of our experiment showed that the trend in CO₂ uptake of these mixtures was nonlinearly correlated with the content of IL. Here, we highlight that the variations in the molecular structure of the polymers were the main reason behind …

Electrophilic Aldehyde 4-Hydroxy-2-Nonenal Mediated Signaling And Mitochondrial Dysfunction, Sudha Sharma, Papori Sharma, Tara Bailey, Susmita Bhattarai, Utsab Subedi, Chloe Miller, Hosne Ara, Srivatsan Kidambi, Hong Sun, Manikandan Panchatcharam, Sumitra Miriyala

Department of Chemical and Biomolecular Engineering: Faculty Publications

Reactive oxygen species (ROS), a by-product of aerobic life, are highly reactive molecules with unpaired electrons. The excess of ROS leads to oxidative stress, instigating the peroxidation of polyunsaturated fatty acids (PUFA) in the lipid membrane through a free radical chain reaction and the formation of the most bioactive aldehyde, known as 4-hydroxynonenal (4-HNE). 4-HNE functions as a signaling molecule and toxic product and acts mainly by forming covalent adducts with nucleophilic functional groups in proteins, nucleic acids, and lipids. The mitochondria have been implicated as a site for 4-HNE generation and adduction. Several studies clarified how 4-HNE affects the …