Digital Commons Network^™

Bioluminesence-Induced Photoredox Catalysis And Its Mechanisms, Dominic Jeffrey Bates

Theses and Dissertations

The bioluminescence-induced photoredox reaction (BIPR) is a novel methodology developed to overcome the limitations of photo-induced chemistry by initiating chemical work using bioluminescent Escherichia coli as a photon source. In industry, photochemistry is superseded by thermochemical reaction processes. Despite its massive potential, there are very few applications in industry for photochemistry. Unlike thermochemistry, reaction scale-ups are not as easy as simple dimensional increases in a reaction vessel due to the nature of light. This deficiency is seemingly overcome through the development of flow technologies; however, the overall yield of such methods remains incomparable with those utilizing thermochemistry. This thesis focuses …

Substrate Interference And Strain In The Second-Harmonic Generation From Mose2 Monolayers, Sudeep Puri, Sneha Patel, Jose Luis Cabellos, Luis Enrique Rosas-Hernandez, Kaitlin Reynolds, Hugh O.H. Churchill, Salvador Barraza-Lopez, Bernardo S. Mendoza, Hiroyuki Nakamura

Physics Faculty Publications and Presentations

Nonlinear optical materials of atomic thickness, such as non-centrosymmetric 2H transition metal dichalcogenide monolayers, have a second-order nonlinear susceptibility (χ⁽²⁾) whose intensity can be tuned by strain. However, whether χ⁽²⁾ is enhanced or reduced by tensile strain is a subject of conflicting reports. Here, we grow high-quality MoSe₂ monolayers under controlled biaxial strain created by two different substrates and study their linear and nonlinear optical responses with a combination of experimental and theoretical approaches. Up to a 15-fold overall enhancement in second-harmonic generation (SHG) intensity is observed from MoSe₂ monolayers grown on SiO₂ when …

Stability Of The S-N Bond In S-Nitrosothiols: Computational And Experimental Approach, Rustam Sabitov

Dissertations (1934 -)

S-Nitrosothiols (RSNOs) are chemical compounds capable to transport nitric oxide (NO) and show promise in the treatment of cardiovascular diseases. RSNOs occur naturally in-vivo, and others have been synthesized in-vitro as potential drug candidates for NO transport and release. However, RSNOs are inherently unstable due to their weak S–N bond (D0(S-N)=25–30 kcal/mol), so developing a deeper understanding of the factors influencing the RSNOs stability is crucial. In Chapter 2, we investigated the substituent effect on the -SNO group properties. Substituting R– in RSNOs with more electro-donating character can stabilize the –SNO group according to the Natural Resonance Theory (NRT). But …

Unlocking The Secrets Of Porous Silicon Formation: Insights Into Magnesiothermic Reduction Mechanism Using In Situ Powder X-Ray Diffraction Studies, Sarah A. Martell, Maximilian Yan, Robert H. Coridan, Kevin H. Stone, Siddharth V. Patwardhan, Mita Dasog

Chemistry & Biochemistry Faculty Publications and Presentations

The magnesiothermic reduction of SiO₂ is an important reaction as it is a bulk method that produces porous Si for a wide range of applications directly from SiO₂. While its main advantage is potential tunability, the reaction behavior and final product properties are heavily dependent on many parameters including feedstock type. However, a complete understanding of the reaction pathway has not yet been achieved. Here, using in situ X-ray diffraction analysis, for the first time, various pathways through which the magnesiothermic reduction reaction proceeds were mapped. Further, the key parameters and conditions that determine which pathways are …

Cobalt Molybdenum Telluride As An Efficient Trifunctional Electrocatalyst For Seawater Splitting, Rajarshi Kar, Amideddin Nouralishahi, Harish Singh, Manashi Nath

Chemistry Faculty Research & Creative Works

A mixed-metal ternary chalcogenide, cobalt molybdenum telluride (CMT), has been identified as an efficient tri-functional electrocatalyst for seawater splitting, leading to enhanced oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and oxygen reduction reaction (ORR). The CMT was synthesized by a single step hydrothermal technique. Detailed electrochemical studies of the CMT-modified electrodes showed that CMT has a promising performance for OER in the simulated seawater solutions, exhibiting a small overpotential of 385 mV at 20 mA cm⁻², and superior catalyst durability for prolonged period of continuous oxygen evolution. Interestingly, while gas chromatography analysis confirmed the evolution of oxygen …

Development Of Malate Biosensor-Containing Hydrogels And Living Cell-Based Sensors, Nathan J. Ricks, Monica Brachi, Kevin Mcfadden, Rohit G. Jadhav, Shelley D. Minteer, Ming C. Hammond

Chemistry Faculty Research & Creative Works

Malate is a key intermediate in the citric acid cycle, an enzymatic cascade that is central to cellular energy metabolism and that has been applied to make biofuel cells. To enable real-time sensing of malate levels, we have engineered a genetically encoded, protein-based fluorescent biosensor called Malon specifically responsive to malate by performing structure-based mutagenesis of the Cache-binding domain of the Citron GFP-based biosensor. Malon demonstrates high specificity and fluorescence activation in response to malate and has been applied to monitor enzymatic reactions in vitro. Furthermore, we successfully incorporated Malon into redox polymer hydrogels and bacterial cells, enabling analysis of …

Investigating In Vivo Tumor Biomolecular Changes Following Radiation Therapy Using Raman Spectroscopy, Varsha Karunakaran, Sina Dadgar, Santosh K. Paidi, April Mordi, Whitney A. Lowe, Umme Marium Mim, Jesse D. Ivers, Joel Rodriguez Troncoso, Jared A. Mcpeake, Alric Fernandes, Sanidhya D. Tripathi, Ishan Barman, Narasimhan Rajaram

Biomedical Engineering Faculty Publications and Presentations

Treatment resistance is a major bottleneck in the success of cancer therapy. Early identification of the treatment response or lack thereof in patients can enable an earlier switch to alternative treatment strategies that can enhance response rates. Here, Raman spectroscopy was applied to monitor early tumor biomolecular changes in sensitive (UM-SCC-22B) and resistant (UM-SCC-47) head and neck tumor xenografts for the first time in in vivo murine tumor models in response to radiation therapy. We used a validated multivariate curve resolution-alternating least-squares (MCR-ALS) model to resolve complex multicomponent Raman spectra into individual pure spectra and their respective contributions. We observed …

Polyphenol-Induced Protein Structural Modifications In Sorghum On Pasting Properties, Annegret Jannasch, Ya-Jane Wang, Sun-Ok Lee, Rohana Liyanage, Zeina Alraawi, Suresh Kumar Thallapuranam, William L. Rooney

Chemistry & Biochemistry Faculty Publications and Presentations

Black sorghum contains a high amount of anthocyanins and proanthocyanidins, whereas white sorghum predominantly comprises phenolic acids. Polyphenols covalently and non-covalently interact with protein, whereas the structure of both compounds affects these interactions. This study investigated the interactions between phenolic acids, anthocyanins, proanthocyanidins and prolamin, which is the major protein fraction in sorghum, and their effect on the pasting properties of white and black, whole and milled sorghum using different chemical agents. Urea increased the pasting viscosity of black sorghum, but not that of white sorghum, indicating that hydrogen bonds and hydrophobic interactions between prolamin and anthocyanins and proanthocyanidins play …

Selective Hydrolysis Of Heterooligosaccharides By Poly(Acrylate) Gel Catalysts, Susanna Striegler

Chemistry & Biochemistry Faculty Publications and Presentations

Natural glycoside hydrolases are distinguished by their ability to hydrolyze glycosidic bonds with high efficiency and selectivity. This feature is achieved through specific interactions in the active site during catalytic turnover and is not just facilitated by two catalytically active amino acids. Intrigued by these features, a biomimetic α-galactosidase mimic was developed using an empirical catalyst design. Starting with a library of 704 gels of which 250 have a unique composition synthesized from TEGDMA cross-linker and 7 selected monomers, 238 monomodal gels are evaluated for their ability to hydrolyze the 1→6 α-glycosidic bond in the disaccharide melibiose. Among those, 13 …

Ks18, A Mcl-1 Inhibitor, Improves The Effectiveness Of Bortezomib And Overcomes Resistance In Refractory Multiple Myeloma By Triggering Intrinsic Apoptosis., Omar S Al-Odat, Weam Othman Elbezanti, Krishne Gowda, Sandeep K Srivastava, Shantu G Amin, Subash C. Jonnalagadda, Tulin Budak-Alpdogan, Manoj K Pandey

Cooper Medical School of Rowan University Departmental Research

Despite a record number of clinical studies investigating various anti-myeloma treatments, the 5-year survival rate for multiple myeloma (MM) patients in the US is only 55%, and almost all patients relapse. Poor patient outcomes demonstrate that myeloma cells are "born to survive" which means they can adapt and evolve following treatment. Thus, new therapeutic approaches to combat survival mechanisms and target treatment resistance are required. Importantly, Mcl-1, anti-apoptotic protein, is required for the development of MM and treatment resistance. This study looks at the possibility of KS18, a selective Mcl-1 inhibitor, to treat MM and overcome resistance. Our investigation demonstrates …

A Multiscale Approach To Understanding The Shared Blue-Orange Flower Color Polymorphism In Two Lysimachia Species, Mercedes Sánchez-Cabrera, Eduardo Narbona, Montserrat Arista, Pedro L. Ortiz, Francisco J. Jiménez-López, Amelia A. Fuller, Benjamin Carter, Justen B. Whittall

Chemistry and Biochemistry

Background
Polymorphisms are common in nature, but they are rarely shared among closely related species. Polymorphisms could originate through convergence, ancestral polymorphism, or introgression. Although shared neutral genomic variation across species is commonplace, few examples of shared functional traits exist. The blue-orange petal color polymorphisms in two closely related species, Lysimachia monelli and L. arvensis were investigated with UV-vis reflectance spectra, flavonoid biochemistry, and transcriptome comparisons followed by climate niche analysis.

Results
Similar color morphs between species have nearly identical reflectance spectra, flavonoid biochemistry, and ABP gene expression patterns. Transcriptome comparisons reveal two orange-specific genes directly involved in both blue-orange …

Accurate Crystal Structure Prediction Of New 2d Hybrid Organic–Inorganic Perovskites, Nima Karimitari, William J. Baldwin, Evan W. Muller, Zachary J.L. Bare, W. Joshua Kennedy, Gábor Csányi, Christopher Sutton

Faculty Publications

Low-dimensional hybrid organic–inorganic perovskites (HOIPs) are promising electronically active materials for light absorption and emission. The design space of HOIPs is extremely large, as a variety of organic cations can be combined with different inorganic frameworks. This not only allows for tunable electronic and mechanical properties but also necessitates the development of new tools for in silico high throughput analysis of candidate materials. In this work, we present an accurate, efficient, and widely applicable machine learning interatomic potential (MLIP) trained on 86 diverse experimentally reported HOIP materials. This MLIP was tested on 73 experimentally reported perovskite compositions and achieves a …

Comparative Analysis In The Effectiveness Of Real Vs. Virtual Labs In Enhancing Students’ Conceptual Understanding Of Archimedes’ Principle, Judeanto Edy, Sutopo Sutopo, Edi Supriana

Jurnal Pendidikan Sains

This research aimed to investigate the effectiveness of virtual laboratories compared to real laboratories in improving students’ conceptual understanding of Archimedes’ principle. A quantitative approach was employed using a pretest-posttest design. The measurement instrument used in this study was a concept mastery test, consisting of 15 multiple-choice questions. Data were analyzed using an independent sample T-test. The research involved students from two XI IPA classes, each consisting of 33 students. The findings indicated that both virtual and real laboratories in the learning process could enhance students’ conceptual understanding. The study concluded that there was no significant difference between the virtual …

Development Of E-Modules Based On Pjbl-Steam And Virtual Simulation Media On Work And Energy Topic As An Effort To Improve Students’ Critical Thinking Skills, Farah Rafidah, Parno Parno, Nasikhudin Nasikhudin, Marlina Ali

Jurnal Pendidikan Sains

Work and energy are fundamental topics in physics. However, enhancing students’ critical thinking skills in these areas remains a challenge. This research aimed to develop and assess the validity and readability of e-modules designed with PjBL-STEAM and virtual simulation media to address this issue. The development process followed a 4D model, and the resulting e-modules were evaluated as strongly valid category. The validation tests yielded percentage scores of 91.6% for media, 89.3% for content, and 88.0% for lesson plans. Additionally, the readability test achieved a score of 84.6%, indicating a excellent level of comprehensibility. These findings suggest that the e-modules …

Exploration Of Students’ Scientific Argumentation Skills On Static Fluid Topics, Trio Junira Fernando, Parno Parno, Markus Diantoro

Jurnal Pendidikan Sains

The weakness in students’ scientific argumentation, particularly in providing evidence-based arguments, has become a significant concern in education. This study aims to assess students’ scientific argumentation skills specifically on the topic of static fluids. The survey was conducted with 78 twelfth-grade students from private high schools in East Java, Indonesia, who had previously studied this topic. A scientific argumentation test instrument, consisting of an essay format with five questions, was employed to collect data. The data were analyzed using descriptive statistics, followed by a classification based on static fluid subtopics and the level of scientific argumentation skill. The results indicated …

Impact Of Problem-Based Learning Integrated With Blended Learning On Students’ Collaborative Skills, Angel Regina, Yustina Febblina Daryanes, Riki Apriyandi Putra

Jurnal Pendidikan Sains

This study investigates the impact of implementing a Problem-Based Learning (PBL) model integrated with Blended Learning on enhancing students’ collaborative abilities. Conducted in class XI of SMA Negeri Plus Riau Province during the 2021/2022 academic year, the research utilized a control group design to compare the collaborative skills of students in an experimental class, which employed the PBL model, with those in a control class. The study assessed four key indicators of collaborative ability: working productively, valuing opinions, compromising, and sharing responsibility. The findings revealed that students in the experimental class showed significant improvements in all four indicators compared to …

Influencing Factors Of Competency Achievement In Fiber Optic Installation Engineering: A Study On Vocational School Graduates In Indonesia, Pangadongan Elfin Pujianto, Djoko Kustono, Hakkun Elmunsyah

Jurnal Pendidikan Sains

This study investigates the factors influencing the achievement of competencies in the field of Fiber Optic Installation Engineering (TIFO) among vocational school graduates in Indonesia and their subsequent performance in the workforce. Utilizing a quantitative approach, the research examines the relationship between several key variables, including national examination scores, quality of infrastructure, teaching competence, and telecommunication systems subject scores. Path analysis structural equation modeling was employed to determine the direct and indirect effects of these variables on TIFO competency achievement and graduates’ performance. The findings reveal that the quality of infrastructure is the most significant contributor to competency achievement, accounting …

Quinoxaline 1,4-Di-N-Oxide Derivatives As New Antinocardial Agents, Isidro Palos, Alonzo Gonzalez-Gonzalez, Alma D. Paz-Gonzalez, José C. Espinoza-Hicks, Debasish Bandyopadhyay, Norma Paniagua-Castro, Marlene S. Galeana-Salazar, Jorge Ismael Castañeda-Sánchez, Julieta Luna-Herrera, Gildardo Rivera-Sanchez

School of Integrative Biological & Chemical Sciences Faculty Publications

Mycetoma is currently considered as a neglected tropical disease. The incidence of mycetoma is unknown but most of the worldwide cases are present in the “mycetoma belt” including countries like Mexico, India, Senegal, and others. The treatment of mycetoma depends on the etiological agent responsible for the case. Treatment success reaches 60 to 90%; however, common treatment has been reported to be ineffective in some cases, due in part to resistance to the prescribed antibiotics. Therefore, it is necessary to develop new therapeutic options. In the past two decades, quinoxaline derivatives have shown relevance as antibacterial agents. Therefore, in this …

Electronic Communication Between Co And Ru Sites Decorated On Nitrogen-Doped Carbon Nanotubes Boost The Alkaline Hydrogen Evolution Reaction, Meng-Ting Gao, Ying Wei, Xue-Meng Hu, Wenj-Jie Zhu, Qing-Qing Liu, Jin-Yuan Qiang, Wan-Wan Liu, Ying Wang, Xu Li, Jian-Feng Huang, Yong-Qiang Feng

Journal of Electrochemistry

Designing highly efficient Pt-free electrocatalysts with low overpotential for an alkaline hydrogen evolution reaction (HER) remains a significant challenge. Here, a novel and efficient cobalt (Co), ruthenium (Ru) bimetallic electrocatalyst composed of CoRu nanoalloy decorated on the N-doped carbon nanotubes (CoRu@N-CNTs), was prepared by reacting fullerenol with melamine via hydrothermal treatment and followed by pyrolysis. Benefiting from the electronic communication between Co and Ru sites, the as-obtained CoRu@N-CNTs catalyst exhibited superior electrocatalytic HER activity. To deliver a current density of 10 mA·cm^–2, it required an overpotential of merely 19 mV along with a Tafel slope of 26.19 mV·dec …

Zhong-Qun Tian, Academician And Honorary Member Of Electrochemistry Committee Chinese Chemical Society, Achieved "Raman Lifetime Award", Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Chinese Chemical Society: First Young Scholars' Symposium On Electrosynthesis Held Successfully, Chinese Society Of Electrochemistry (Cse)

Journal of Electrochemistry

No abstract provided.

2024 Tianmulake Advanced Anode Materials Innovation Forum And Sixth National Conference Of Advanced Battery Failure Analysis And Testing Technology Concluded Successfully, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

Aging Characteristics Of Lithium-Ion Battery Under Fast Charging Based On Electrochemical-Thermal-Mechanical Coupling Model, Dong-Xu Zuo, Pei-Chao Li

Journal of Electrochemistry

The aging characteristics of lithium-ion battery (LIB) under fast charging is investigated based on an electrochemical-thermal-mechanical (ETM) coupling model. Firstly, the ETM coupling model is established by COMSOL Multiphysics. Subsequently, a long cycle test was conducted to explore the aging characteristics of LIB. Specifically, the effects of charging (C) rate and cycle number on battery aging are analyzed in terms of nonuniform distribution of solid electrolyte interface (SEI), SEI formation, thermal stability and stress characteristics. The results indicate that the increases in C rate and cycling led to an increase in the degree of nonuniform distribution of SEI, and thus …

Optimization Of Channel Structure Of Alkaline Water Electrolyzer By Using An Expanded Mesh As A Bipolar Plate, Hai-Yan Xiong, Zhen-Xiao Zhu, Xin Gao, Chen-Ming Fan, Hui-Bao Luan, Bing Li

Journal of Electrochemistry

Alkaline water electrolysis (AWE) is the most mature technology for hydrogen production by water electrolysis. Alkaline water electrolyzer consists of multiple electrolysis cells, and a single cell consists of a diaphragm, electrodes, bipolar plates and end plates, etc. The existing industrial bipolar plate channel is concave-convex structure, which is manufactured by complicated and high-cost mold punching. This structure still results in uneven electrolyte flow and low current density in the electrolytic cell, further increasing in energy consumption and cost of AWE. Thereby, in this article, the electrochemical and flow model is firstly constructed, based on the existing industrial concave and …

Integrating Data-Driven And Mechanism-Driven Modeling In Drug Discovery And Hepatotoxicity Evaluation, Xuelian Jia

Theses and Dissertations

The pharmacological activities and hepatotoxicity significantly influence the success or failure of new drugs during drug discovery and development. Traditional experimental methods, such as animal models, are costly and time-consuming for chemical testing. There is a great need to develop in vitro and computational modeling to help identify the pharmacological activities and hepatotoxicity potential in the early stage of drug discovery and safety evaluation. In this dissertation, new computational models and associated modeling frameworks were described for predicting the biological profile and hepatotoxicity of chemicals. Firstly, a novel data mining and Quantitative Structure-Activity Relationship (QSAR) workflow was developed to construct …

Preliminary Molecular Study Of Chloramphenicol Anchoring On Laccase Enzyme From Trametes Hirsuta, Hanzhola Gusman Riyanto, Afiten Rahmin Sanjaya

Makara Journal of Science

Antibiotics are one of emerging pollutants generally emitted from livestock production and the food industry to the environment. The presence of this pollutant could initiate the development of resistant bacteria that can be fatal to human health. The degradation of antibiotics using enzymes or microbe could be an alternative because the residue or intermediate product is less harmful than of the conventional method. This research aims to support a preliminary study of the degradation of antibiotics using enzyme through molecular docking via Molecular Operating Environment software and molecular dynamics (MD) study via CABSFLEX 2.0 and WebGro macromolecular simulations. The molecular …

Immobilization Of Ni(Ii) On Amine-Functionalized Mesoporous Silica As Catalyst For Benzyl Alcohol Acetylation Reaction, Wardah Nabilah, Eko Sri Kunarti, Fajar Inggit Pambudi

Makara Journal of Science

In this study, amine-functionalized and Ni(II)-immobilized mesoporous silica materials were synthesized. This research aimed to synthesize mesoporous silica based on rice husk ash functionalized with amine and immobilized with Ni(II). The activity of amine-functionalized and Ni(II)-immobilized mesoporous silica materials was studied for the acetylation of benzyl alcohol with acetic anhydride as the acetylating agent. First, mesoporous silica was synthesized using rice husk ash using the sol–gel method, followed by amine functionalization using (3-aminopropyl)triethoxysilane (APTES) and Ni(II) immobilization through ultrasonic treatment. The results obtained showed that amine-functionalized and Ni(II)-immobilized mesoporous silica (SiO₂/APTES/Ni(II)) were successfully synthesized, confirmed by Fourier transform …

Near-Infrared Ratiometric Hemicyanine Fluorescent Probes For Monitoring Mitochondrial Ph Dynamics In Live Cells During Oxidative Stress And Hypoxia, Sushil K. Dwivedi, Dilka Liyana Arachchige, Adenike Olowolagba, Mohamed Mahmoud, Subash Pandey, Tara Vohs, Haiying Liu, Rudy Luck

Michigan Tech Publications

Novel near-infrared ratiometric molecules (probes A and B) produced by linking formyl-functionalized xanthene and methoxybenzene moieties, respectively, onto a xanthene-hemicyanine framework are detailed. Probe A exhibited a primary absorption peak at 780 nm and a shoulder peak at 730 nm and exhibited fluorescence at 740 nm↓ (signifies a downward shift in intensity upon acidification) in a pH 9.3 buffer and 780 nm↑ at pH 2.8 under excitation at 700 nm. Probe B featured absorptions at 618 and 668 nm at pH 3.2 and at 717 nm at pH 8.6, and fluorescence at 693 nm↑ at pH 3.2 and at 739 …

Efforts Toward The Synthesis And Biological Evaluation Of Ym/Fr Analogs, Siyue Liu

Arts & Sciences Graduate Student Theses and Dissertations

Natural products FR900359 and YM254890, selective inhibitors of the Gq/11 protein signaling pathway, are crucial for therapeutic development, particularly in treating uveal melanoma. This dissertation focuses on efforts to understand the mechanisms behind this selective inhibition. A versatile synthetic approach to these natural product analogs and a potential method for evaluating their biological activity on the microelectrode array are presented. Chapter 1 provides an overview of Gq/11 proteins, detailing their roles in cellular signaling. Mutations lead to constitutively active oncogenic Gq/11 proteins, contributing to uveal melanoma. The building-block synthetic concept is introduced in the YM/FR synthesis, enabling relatively scalable and …

Efforts Toward The Synthesis And Biological Evaluation Of Ym/Fr Analogs, Siyue Liu

Arts & Sciences Graduate Student Theses and Dissertations

Natural products FR900359 and YM254890, selective inhibitors of the Gq/11 protein signaling pathway, are crucial for therapeutic development, particularly in treating uveal melanoma. This dissertation focuses on efforts to understand the mechanisms behind this selective inhibition. A versatile synthetic approach to these natural product analogs and a potential method for evaluating their biological activity on the microelectrode array are presented. Chapter 1 provides an overview of Gq/11 proteins, detailing their roles in cellular signaling. Mutations lead to constitutively active oncogenic Gq/11 proteins, contributing to uveal melanoma. The building-block synthetic concept is introduced in the YM/FR synthesis, enabling relatively scalable and …