Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- TÜBİTAK (2720)
- Chinese Chemical Society | Xiamen University (2389)
- Missouri University of Science and Technology (1552)
- Marquette University (1105)
- University of Nebraska - Lincoln (962)
-
- University of South Carolina (760)
- Brigham Young University (740)
- Chulalongkorn University (670)
- Old Dominion University (664)
- Louisiana State University (618)
- University of Kentucky (595)
- University of Nevada, Las Vegas (589)
- Portland State University (517)
- Utah State University (465)
- City University of New York (CUNY) (459)
- University of Arkansas, Fayetteville (436)
- University of Denver (409)
- Western Kentucky University (408)
- University of Texas Rio Grande Valley (402)
- Cleveland State University (397)
- The University of Southern Mississippi (379)
- Western Michigan University (366)
- Virginia Commonwealth University (358)
- Technological University Dublin (335)
- University of South Florida (335)
- University of Central Florida (325)
- Chapman University (294)
- Loyola University Chicago (288)
- University of Mississippi (285)
- University of New Mexico (285)
- Keyword
-
- Chemistry (1001)
- Synthesis (354)
- Nanoparticles (315)
- Pure sciences (277)
- Electrochemistry (265)
-
- Chemistry and Biochemistry (264)
- Department of Chemistry (249)
- Mass spectrometry (234)
- Catalysis (224)
- Atmospheric chemistry (208)
- Fluorescence (195)
- Adsorption (184)
- Spectroscopy (175)
- Emissions (171)
- 1 (165)
- Pollutants (163)
- NMR (150)
- Cyclic voltammetry (147)
- Kinetics (146)
- Oxidation (146)
- Cancer (145)
- Polymers (143)
- Copper (137)
- 2 (132)
- Organic chemistry (128)
- Electrocatalysis (126)
- Molecular dynamics (121)
- DFT (120)
- Crystal structure (115)
- Iron (114)
- Publication Year
- Publication
-
- Turkish Journal of Chemistry (2720)
- Journal of Electrochemistry (2389)
- Theses and Dissertations (1398)
- Chemistry Faculty Publications (1129)
- Chemistry Faculty Research & Creative Works (938)
-
- Electronic Theses and Dissertations (777)
- Chemistry Faculty Research and Publications (690)
- Chulalongkorn University Theses and Dissertations (Chula ETD) (670)
- Faculty Publications (592)
- Masters Theses (565)
- Dissertations (539)
- Honors Theses (474)
- LSU Doctoral Dissertations (448)
- Chemistry and Biochemistry Faculty Publications (384)
- Chemistry Publications (340)
- Chemistry & Biochemistry Faculty Publications (339)
- Masters Theses & Specialist Projects (306)
- USF Tampa Graduate Theses and Dissertations (297)
- Chemistry Faculty Publications and Presentations (295)
- Department of Chemistry: Faculty Publications (294)
- Bachelors’ Theses (274)
- Karbala International Journal of Modern Science (268)
- Master's Theses (267)
- Chemistry and Chemical Biology ETDs (259)
- Journal of Undergraduate Research (254)
- Dissertations and Theses (245)
- School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry) (245)
- Articles (241)
- Wayne State University Dissertations (236)
- Legacy Theses & Dissertations (2009 - 2024) (218)
- Publication Type
Articles 361 - 390 of 33105
Full-Text Articles in Physical Sciences and Mathematics
A Ferrocene-Modified Carbon Electrode Prepared From Coconut Shell Char For Cu(Ii) Detection In Water, Nabila Putri Aulia, Fitria Rahmawati, Abu Masykur, Eddy Heraldy
A Ferrocene-Modified Carbon Electrode Prepared From Coconut Shell Char For Cu(Ii) Detection In Water, Nabila Putri Aulia, Fitria Rahmawati, Abu Masykur, Eddy Heraldy
Makara Journal of Science
A ferrocene (Fc)-modified carbon electrode was prepared from coconut shell char (CSC), which was activated with NaOH to produce an activated coconut shell carbon (Ac-CSC). The carbon electrode was designed as a printed-carbon electrode consisting of working, counter and reference electrodes in a single piece, called a screen-printed carbon electrode, or SPCE. An Fc solution was applied to the working electrode part at 10%, 20% and 30% mass of the SPCE, producing an SPCE-Fc as an electrochemical sensor for Copper ions Cu(II) detection. The prepared activated carbon was analysed by XRD, FTIR, SEM/EDX, surface area analysis and impedance measurement to …
Axial Sulfur-Coordination Engineering Boosting Fe–N–C Catalysts For High-Performance Proton Exchange Membrane Fuel Cells, Lin Lin, Xiu-Xuan Hou, Zhe-Chen Fan, Yi-Xuan Yin, Wei-Yi Zhao, Kai Wei, Yu-Die Zhou, Li-Na Hou, Ying Wang, Hao Wan, Jun-Jie Ge
Axial Sulfur-Coordination Engineering Boosting Fe–N–C Catalysts For High-Performance Proton Exchange Membrane Fuel Cells, Lin Lin, Xiu-Xuan Hou, Zhe-Chen Fan, Yi-Xuan Yin, Wei-Yi Zhao, Kai Wei, Yu-Die Zhou, Li-Na Hou, Ying Wang, Hao Wan, Jun-Jie Ge
Journal of Electrochemistry
Fe-N-C catalysts have long suffered from kinetically sluggish oxygen reduction reaction (ORR) due to excessive adsorption strength toward oxygen intermediates and low site utilization. Heteroatom doping effectively accelerates ORR reaction kinetics through electronic structure modulation of metal sites for optimal intermediate adsorption, while chemical vapor deposition (CVD) enhances the turnover frequency (TOF) of active sites. Herein, we developed an FeSNC catalyst featuring abundant FeS1N4 sites via a dual-precursor CVD strategy. Experimental and theoretical analyses revealed that S incorporation disrupts the symmetric coordination of active sites, which optimizes OH* adsorption energies from 0.212 eV to 1.194 eV. Moreover, …
Deciphering The Role Of Binder Reaction Exothermicity In Thermal Runaway Of Lithium-Ion Cells, Wen Wen, Jing-Hong Zhou, Hao-Tian Lu, Xing-Gui Zhou
Deciphering The Role Of Binder Reaction Exothermicity In Thermal Runaway Of Lithium-Ion Cells, Wen Wen, Jing-Hong Zhou, Hao-Tian Lu, Xing-Gui Zhou
Journal of Electrochemistry
Thermal safety associated with lithium-ion cells as power sources remains a critical industry concern. A comprehensive understanding of how internal exothermic side reactions contribute to temperature rise is fundamental for accurately analyzing thermal runaway processes and predicting the thermal safety of lithium-ion cells. While various side-reactions, such as decomposition of solid electrolyte interphase layer, reaction between anode materials and electrolyte, reaction between cathode materials and electrolyte, and electrolyte decomposition, have been identified as heat generation sources in previous studies, the quantification of these reactions remains insufficiently standardized. Particularly, the impact of heat generation from binder decomposition (most commonly polyvinylidene difluoride) …
Entropy Of Metal/Solution Interfaces: Thermodynamic Framework, Theoretical Models, And Roles Of Interfacial Water, Zeng-Ming Zhang, Zi-Xi Liang, Jun Huang
Entropy Of Metal/Solution Interfaces: Thermodynamic Framework, Theoretical Models, And Roles Of Interfacial Water, Zeng-Ming Zhang, Zi-Xi Liang, Jun Huang
Journal of Electrochemistry
Entropy is a basic thermodynamic property of the electrical double layer (EDL) at metal/solution interfaces, yet, its definition, measurement, and theoretical treatment are dispersed in the literature, and, in some cases, ambiguous. In this paper, we revisit the thermodynamic theory of EDL, from which two variants of entropy, excess entropy and formation entropy, are obtained and compared. In terms of the formation entropy, two calculation routes are validated in the context of a primitive EDL model, namely, the Gouy-Chapman (GC) model. After clarifying the concepts and calculation routes, we investigate interfacial water effects on the EDL entropy, using a refined …
Design, Synthesis, And Bioevaluation Of Moxifloxacin Hydrazide Metal Complexes: Integrated Spectroscopic, Computational, Antimicrobial, And Anticancer Investigations, Abbas Mamdoh Abbas, Sara Reda Fisal, Ibrahim A.I. Ali, W. Christropher Boyd, Haitham F. Kalil, Adel Sayed Orabi
Design, Synthesis, And Bioevaluation Of Moxifloxacin Hydrazide Metal Complexes: Integrated Spectroscopic, Computational, Antimicrobial, And Anticancer Investigations, Abbas Mamdoh Abbas, Sara Reda Fisal, Ibrahim A.I. Ali, W. Christropher Boyd, Haitham F. Kalil, Adel Sayed Orabi
Chemistry Faculty Publications
This study reports the synthesis, spectroscopic characterization, and biological evaluation of a novel moxifloxacin hydrazide derivative (MOX-H) and its metal complexes with Co(II), Ni(II), Cu(II), VO(IV), and Gd(III). The ligand was synthesized by hydrazinolysis of moxifloxacin hydrochloride, and the resulting hydrazide was subsequently complexed with the respective metal salts. The interaction between MOX-H and the metal ions yielded the corresponding complexes, formulated as [Co(H2O)Cl(MOX-H)2]Cl & centerdot;2.5H2O, [Ni(H2O)Cl(MOX-H)2]Cl.4.5H2O, [VO(MOX-H)2]SO4.3.5H2O, [Gd (H2O)(MOX-H)2(NO3)2]NO3.2H2O, and [Cu(MOX-H)2(H2O)Cl]Cl & centerdot;xH2O (where x = 2, 2.5, 0.5, for products synthesized via template, microwave-assisted, and hydrothermal methods, respectively). The synthesized analogues were characterized by elemental analysis (CHN), FT-IR, …
Interview With Orca Award Winner David Hage, Unl Chemistry; Drug-Protein Interactions, Mark Griep, David Hage
Interview With Orca Award Winner David Hage, Unl Chemistry; Drug-Protein Interactions, Mark Griep, David Hage
UNL ORCA Interview Series
Prof. David Hage was awarded the ORCA in 2018. He was born in La Crosse, Wisconsin, and earned a bachelor’s in chemistry at the University of Wisconsin in La Crosse. Next, he earned a doctorate from Iowa State University and did postdoctoral work at the Mayo Clinic in Rochester, Minnesota. In 1989, he joined UNL as an assistant professor of chemistry and quickly rose through the ranks. He has won many awards and, for the past 13 years, has been the James Hewet University Professor of Chemistry. Allow me to share some remarkable facts about Dave before we get into …
Role Of Wadsley Defects And Cation Disorder To Enhance Monb12O33 Diffusion, Cj Sturgill, Manish Kumar, Nima Karimitari, Iva Millisavljevic, Coby S. Collins, Aaron Hegler, Hsin-Yun Joy Chao, Santosh Kiran Balijepalli, Scott T. Misture, Christopher Sutton, Morgan Stefik
Role Of Wadsley Defects And Cation Disorder To Enhance Monb12O33 Diffusion, Cj Sturgill, Manish Kumar, Nima Karimitari, Iva Millisavljevic, Coby S. Collins, Aaron Hegler, Hsin-Yun Joy Chao, Santosh Kiran Balijepalli, Scott T. Misture, Christopher Sutton, Morgan Stefik
Faculty Publications
Wadsley-Roth (WR) niobates have emerged as high-rate anode materials that can combine rapid ionic diffusion with good electronic conductivity. WR compounds have been defect-enhanced by limited annealing, however, such materials often contain multiple types of defects. In particular, both Wadsley defects (variable block size) and transition metal disorder have the potential to modify transport rates, however the corresponding effects are not well understood mechanistically. Here, MoNb12O33 (MNO) was calcined at two different temperatures to compare a defect-rich condition (MNO-800) with a proximal order-rich condition (MNO-900) as assessed through XRD, XANES, EXAFS, and STEM characterizations. Galvanostatically cycled lithium half cells of …
Remediation Of Ammonium Perrhenate Via Tris(2,2’-Bipyridine)Ruthenium(Ii) Chloride, Kaylin L. Thomas, Sandra A. Abdellah, Alvin A. Holder
Remediation Of Ammonium Perrhenate Via Tris(2,2’-Bipyridine)Ruthenium(Ii) Chloride, Kaylin L. Thomas, Sandra A. Abdellah, Alvin A. Holder
Knowledge and Creativity Expo
Pertechnetate (TcO₄⁻) is a persistent radioactive byproduct resulting from the decay of uranium-235 or plutonium-239 in the nuclear fuel cycle. Its high environmental mobility, long half-life, and significant beta radiation make TcO₄⁻ a critical contaminant. Structurally tetrahedral and water-soluble, TcO₄⁻ behaves similarly to the sulfate anion, facilitating its rapid introduction into ecosystems.
It bioaccumulates in lower-level organisms, propagating radioactive and toxic effects through food chains. In mammals, technetium-99 accumulates in the thyroid and may also impact fetal development. Its small charge, chemical stability, and solubility present significant challenges for effective remediation.
Current remediation methods often suffer from poor selectivity, dependence …
Advancing Environmental Justice Through Chemical Education: Perspective From New Orleans’ Water And Air Quality Challenges, Ja’Lynn Keller, Sita Aggarwal, Rami A. Al-Horani, Morewell Gasseller, Navneet Goyal
Advancing Environmental Justice Through Chemical Education: Perspective From New Orleans’ Water And Air Quality Challenges, Ja’Lynn Keller, Sita Aggarwal, Rami A. Al-Horani, Morewell Gasseller, Navneet Goyal
Faculty and Staff Publications
New Orleans, Louisiana, faces profound environmental vulnerabilities arising from the convergence of industrial pollution, urban runoff, and climate change–driven weather events. This paper examines systemic challenges affecting water and air quality in the region, with particular focus on low-income and marginalized communities disproportionately burdened by environmental degradation. Drawing on educational and community-based monitoring initiatives at Xavier University of Louisiana and Southeastern Louisiana University, we highlight the integration of student learning with real-time data collection of contaminants such as fecal coliforms, heavy metals, hydrocarbons, and polycyclic aromatic hydrocarbons (PAHs). The aftermath of Hurricane Katrina revealed significant fecal contamination in sediment layers, …
Analysis Of Novel Cannabis Products Labeled As Containing Thc-Jd, Kaelas R. Munger, Carlton C. B. Bone, Killian M. Anreise, Robert M. Strongin
Analysis Of Novel Cannabis Products Labeled As Containing Thc-Jd, Kaelas R. Munger, Carlton C. B. Bone, Killian M. Anreise, Robert M. Strongin
Chemistry Faculty Publications and Presentations
Objective:
THC-JD (tetrahydrocannabioctyl) is a semi-synthetic cannabinoid with an eight-carbon C3 side chain, present in only trace amounts in hemp, requiring synthesis for commercial use. It has been promoted as potentially 19 times more potent than delta-9-THC, consistent with enhanced CB1 receptor affinities for cannabinoids with 7-8 carbon C3 side chains. While one peer-reviewed report identified THC-JD (tetrahydrocannabioctyl) in Japanese online products, an anecdotal report from the U.S. suggests mislabeling. Method: To inform regulatory efforts and consumer awareness and to address these discrepancies, this study chemically analyzed five U.S. commercial cannabis vape products marketed as containing THC-JD. Results: Utilizing GC-MS …
Microstructural Evolution And Precipitate Control In Boron-Doped Ni-Mn-Ti Shape Memory Alloys Via Thermal Processing, Na Liu, Marcia Ahn, Subrata Ghosh, Dipika Mandal, Bed Poudel, Wenjie Li
Microstructural Evolution And Precipitate Control In Boron-Doped Ni-Mn-Ti Shape Memory Alloys Via Thermal Processing, Na Liu, Marcia Ahn, Subrata Ghosh, Dipika Mandal, Bed Poudel, Wenjie Li
Biochemistry, Chemistry & Physics: Faculty Publications
Elastocaloric cooling, which leverages stress-induced phase transformation in shape memory materials, represents a sustainable and energy-efficient alternative to conventional vapor-compression cooling systems. Central to optimizing these materials is understanding how thermal processing history dictates phase formation, microstructure, and thermal properties. In this study, we investigated the (Ni50Mn31.5Ti18)99.8B0.2 compound synthesized via vacuum induction melting and arc melting, followed by water quenching. Induction melting results in needle-like, boron-rich precipitates within the martensite lattice. In contrast, vacuum arc melting promoted precipitate growth at the grain boundaries. The vacuum arc melting sample exhibits ~82% martensite phase fraction, a near-ambient transformation temperature of ~277 K, …
Determination Of Trace Amounts Of Pb2+ And Cu2+ Ions In The Ohio River With Anodic Stripping Voltammetry And Flame Atomic Absorption Spectroscopy To Test Water Contamination From Factories., Eliana Purcell
The Cardinal Edge
In this project, water near factories in Rubbertown, Louisville, KY were tested to see if a significant enough amount of waste is deposited in the Ohio River that the concentrations of Pb2+ and Cu2+ exceed the maximum contaminant levels the World Health Organization (WHO) and the United States Environmental Protection Agency (EPA) have set in place. Waste from industrial factories may contain contaminants that have negative effects on aquatic ecosystems and even human health, so two potentially harmful metal ions were tested. The concentration of Cu2+ in water samples was detected through flame atomic absorption spectroscopy (FAAS), and the concentration …
The Dual-Specificity Phosphatase Jsp1 Regulates Neutrophil Adhesion Via Integrin-Src Signaling In Vascular Inflammation, Li Li
BCES: Faculty Publications
The c-JUN N-terminal kinase (JNK) signaling pathway plays an important role in regulating the innate immune response. Immune signaling is governed by the coordinated activity of protein kinases counter-balanced by protein phosphatases; however, the importance of the latter family of enzymes is less well understood. c-JUN N-terminal kinase (JNK)-stimulatory phosphatase 1 (JSP1, also known as DUSP22) has been implicated as a positive regulator of JNK signaling, yet its role in innate immunity is not clear. Using a mouse model of the local Shwartzman reaction, we show that JSP1 is essential for LPS-TNF-alpha-induced vascular injury. JSP1-knockout mice exhibited reduced vascular hemorrhage. …
Polyherbal Phytochemicals As Multi-Target Inhibitors Of Key Breast Cancer Proteins: A Computational Approach, Nadia Wahyuningsih, Nashi Widodo, Sri Rahayu, Muhaimin Rifa’I
Polyherbal Phytochemicals As Multi-Target Inhibitors Of Key Breast Cancer Proteins: A Computational Approach, Nadia Wahyuningsih, Nashi Widodo, Sri Rahayu, Muhaimin Rifa’I
Karbala International Journal of Modern Science
Breast cancer is a primary worldwide health concern, and conventional therapies often cause side effects. This study was performed to investigate the therapeutic potential of a polyherbal formulation containing Curcuma longa, Phyllanthus niruri, Ziziphus mauritiana, Nigella sativa, and Annona muricata as multi-target inhibitors against breast cancer protein targets using molecular docking and molecular dynamics in silico approach. Bioactive compounds were analyzed using Liquid Chromatography High-Resolution Mass Spectrometry (LC-HRMS) to identify the extract's phytochemicals. The compounds were examined for drug-likeness, membrane permeability, bioactivity, and toxicity. The inhibitory ability against the proto-oncogene pathway, which is commonly dysregulated and mutated in breast cancer, …
Synthesis And Characterization Of Ti-Enhanced F75/Ha Functionally Graded Materials Fabricated By Powder Metallurgy, Afrah M. Al Hussainey, Aseel Mustafa, Randa Kamel Hussain
Synthesis And Characterization Of Ti-Enhanced F75/Ha Functionally Graded Materials Fabricated By Powder Metallurgy, Afrah M. Al Hussainey, Aseel Mustafa, Randa Kamel Hussain
Karbala International Journal of Modern Science
Functionally graded materials (FGMs) are a highly advanced class of biomaterials with graded structure and properties, enabling the fabrication of physiologically and mechanically compatible materials for use in various medical devices. This study aims to produce a functional-grade material based on a cobalt-chromium-molybdenum alloy (F75) reinforced with 4% titanium (Ti) and hydroxyapatite (HA). This will enhance the material's mechanical properties, corrosion resistance, and bioactivity, making it suitable for use as a bone substitute. The natural eggshells were washed, burnt, and chemically processed to form hydroxyapatite with a Ca/P proportion of 1.67. FTIR showed that phosphate and OH groups were separate, …
Extension Of The Local Vibrational Mode Theory To Periodic Systems, Filippo Bodo
Extension Of The Local Vibrational Mode Theory To Periodic Systems, Filippo Bodo
Chemistry Theses and Dissertations
Over the years, vibrational spectroscopy was used to gain a deeper understanding of the electronic structure and the chemical bond in both molecular and periodic systems. In this framework, the Local Vibrational Mode Theory (LVMT), as first introduced by Konkoli and Cremer in 1998, provides a unique tool to quantify the strength of a chemical bond, and better interpret the molecular vibrational spectra, thanks to the adiabatic force constants ($k^a$) and the composition of normal modes (CNM). While LVMT was originally developed for molecular systems, its application to periodic solids has remained limited. This thesis presents a complete and systematic …
Peruvian Pinniped Teeth Trace Element Data-Tracking Ecosystem Variabilites Through Trace Element Record Found In Peruvian Pinniped Dentin, Dimitrios Giarikos, Amy Hirons, Ally E. Sheehan, Radleigh Santos
Peruvian Pinniped Teeth Trace Element Data-Tracking Ecosystem Variabilites Through Trace Element Record Found In Peruvian Pinniped Dentin, Dimitrios Giarikos, Amy Hirons, Ally E. Sheehan, Radleigh Santos
SECLER Data
The South American sea lion (Otaria byronia; SASL) and the Peruvian fur seal (Arctocephalus australis; PFS) are apex predators within the Humboldt Current ecosystem, where population dynamics respond to both natural variability and anthropogenic pressures, including El Niño–Southern Oscillation (ENSO) events and coastal mining. This study quantified 18 trace elements (TEs) in canine dentin from both species collected at Punta San Juan, Peru using laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) to evaluate long-term environmental exposure. Because dentin is deposited incrementally, it preserves a chronological chemical archive reflecting ontogenetic shifts in diet and habitat use. Overall, TE concentrations were broadly similar …
On Message Encryption And Enhanced Security Using Protein Structure Information, Daniel Graham
On Message Encryption And Enhanced Security Using Protein Structure Information, Daniel Graham
Chemistry: Faculty Publications and Other Works
This is a lecture packet focused on several well-established encryption procedures. Included is a discussion of security enhancements brought about by incorporating protein structure information into the procedures.
Long-Term Variability Of Air Quality And Greenhouse Gas Emissions From Rice Crop Burning In Punjab During 2012–2020, Harsimranjit Kaur Romana, Dericks Praise Shukla, Ramesh P. Singh
Long-Term Variability Of Air Quality And Greenhouse Gas Emissions From Rice Crop Burning In Punjab During 2012–2020, Harsimranjit Kaur Romana, Dericks Praise Shukla, Ramesh P. Singh
Mathematics, Physics, and Computer Science Faculty Articles and Research
Punjab, India's primary rice and wheat production hub, has witnessed rapid expansion of paddy cultivation over the past two decades, driven by minimum support price incentives, changes in government policies, alignment of sowing with the monsoon season and the adoption of high-yielding varieties. This transition has intensified groundwater extraction and shortened the fallow period between rabi and kharif crop seasons, reducing the window between rice harvesting and wheat sowing, leading to widespread open-field burning of rice residue and recurrent post-monsoon air-quality deterioration across the Indo-Gangetic Plain. Despite numerous short-term or single-pollutant assessments, a spatially resolved, multi-pollutant and multi-decadal evaluation linking …
A General Predictive And Conceptual Model For Repulsive Electronic States In Valence Ionized Molecules, Luka Dockx, Bálint Sztáray, Anthony Dutoi
A General Predictive And Conceptual Model For Repulsive Electronic States In Valence Ionized Molecules, Luka Dockx, Bálint Sztáray, Anthony Dutoi
College of the Pacific Faculty Articles
Valence photoionization generates photoions with excess internal energy, often resulting in statistical dissociation, well described by RRKM theory. Yet, numerous small photoions with electronegative substituents (e.g., F, Cl, Br, OH) have been shown to exhibit nonstatistical behavior, undergoing direct dissociation from repulsive electronic states to yield radicals such as F• or OH•, along with their corresponding fragment ions. Here, we present a general, predictive model that rationalizes this mechanism and extends it to molecules bearing electronegative substituents capable of forming 2P (F•, Cl•, Br•) or 2Π (OH•, SH•, N3•, NCO•) radicals. Nonstatistical dissociation arises from ionization of p- or π-localized …
Synthesis And Characterization Of Transition Metal Carbide (Max) And Mxene Nanoflakes For Energy Storage And [email protected], Srikanth Ragunath B Mr
Synthesis And Characterization Of Transition Metal Carbide (Max) And Mxene Nanoflakes For Energy Storage And [email protected], Srikanth Ragunath B Mr
Theses and Dissertations
Rapid growth in population and industrialization created a huge demand for superior energy storage devices. Thus, the researchers are in constant search of developing exotic materials towards energy harvesting and storage devices. Batteries, supercapacitors, and fuel cells received a great attention to meet the global demand for energy storage. Among them, supercapacitors are widely preferred as energy storage devices due to higher power density, longer cycle life, and fast charging. The performance of the supercapacitors highly depends on the choice of electrode materials and electrolyte.
Recently, “MXenes” a new class of layered a new class of layered a new …
Fluorescent Biosensor-Guided Engineering Of Enzyme Cascades For Electrochemical Applications, Nathan J. Ricks, Monica Brachi, Fnu Arun, Egor Baiarashov, Shelley D. Minteer, Ming C. Hammond
Fluorescent Biosensor-Guided Engineering Of Enzyme Cascades For Electrochemical Applications, Nathan J. Ricks, Monica Brachi, Fnu Arun, Egor Baiarashov, Shelley D. Minteer, Ming C. Hammond
Chemistry Faculty Research & Creative Works
Substrate channeling is a strategy for enhancing flux and yield in enzymatic cascades and is increasingly relevant for applications in biocatalysis, biotechnology, and bioelectrochemical systems. However, efforts to engineer channeling are limited by the lack of high-throughput methods to evaluate and optimize channeling efficiency. Here, we present a fluorescence-based screening assay to rapidly assess substrate channeling in a model system involving fumarase and malate dehydrogenase, two sequential enzymes from the Krebs cycle. By expressing genetic fusions in Escherichia coli, quantifying intermediate (malate) and product (NADH) formation in lysate using orthogonal fluorescent readouts, and comparing product-to-intermediate ratios, we screened a library …
Main-Chain Ion-Pair Polybenzimidazole Membranes Enabling Reduced-Temperature Ht-Pemfc Operation (Down To 120°C), Huina Lin, Brian C. Benicewicz
Main-Chain Ion-Pair Polybenzimidazole Membranes Enabling Reduced-Temperature Ht-Pemfc Operation (Down To 120°C), Huina Lin, Brian C. Benicewicz
Faculty Publications
Proton exchange membrane (PEM) fuel cells are promising for clean and efficient energy conversion across diverse applications. High-temperature PEM fuel cells (HT-PEMFCs) using phosphoric acid (PA)-doped polybenzimidazole (PBI) can operate up to 200°C, but at lower temperatures, water-induced PA loss often leads to performance degradation and reduced durability. In this work, we present a new class of main-chain ion-pair PBI membranes by integrating the imidazolium-biphosphate ion-pair units directly into the PBI backbone. This design results in membranes with high acid content, stronger acid-polymer interactions and stabilized acid retention. In single-cell tests, the Im+-PBI15-3 wt.% exhibits peak power densities …
Top-View Method As A Robust Alternative For Contact Angle Measurement, Bi-Min Zhang Newby, Emmanuel Agyei
Top-View Method As A Robust Alternative For Contact Angle Measurement, Bi-Min Zhang Newby, Emmanuel Agyei
University Research
This study validates the top-view method for contact angle measurement, based on the spherical cap assumption, as a practical alternative to conventional side-view techniques. It is particularly useful when side-view imaging is challenging, such as on rough, deformable, irregular, or confined areas where baseline visibility, meridian clarity, or drop symmetry is compromised. To address these challenges, this study details the simultaneous acquisition of top and side-view images of sessile drops along with precise drop volume via drop mass measurements. The contact angles were then deduced from drop volume and contact area based on the spherical cap assumption. Contact angles of …
Physical And Chemical Study Of Interaction In The Urea–Valine System For The Creation Of Modified Liquid Nitrogen Fertilizers, Suvonkul Erkhanovich Nurmonov, Saydullo Khamidovich Azimov
Physical And Chemical Study Of Interaction In The Urea–Valine System For The Creation Of Modified Liquid Nitrogen Fertilizers, Suvonkul Erkhanovich Nurmonov, Saydullo Khamidovich Azimov
Chemical Technology, Control and Management
This study reports the results of a comprehensive physicochemical investigation of the urea–L-valine binary system, conducted to validate its potential as a modified base for liquid nitrogen fertilizers.
By utilizing the methods of isomolar series, visual-polythermal analysis, X-ray phase (XRD) and single-crystal X-ray diffraction (SC-XRD), synchronous thermal analysis (TGA/DTA), and FT-IR spectroscopy, it was determined that the interaction between components in both aqueous solutions and the solid phase results in the formation of molecular associates stabilized by hydrogen bonds, without the formation of new stoichiometric compounds.
The concentration and temperature limits of the system's stability were defined, revealing a reduction …
Spectroscopy And Photochemistry Of The Astrochemical Molecules Sicp And Alcp, Vincent J. Esposito, Tarek Trabelsi, Rebecca Firth, Ryan C. Fortenberry, Joseph S. Francisco
Spectroscopy And Photochemistry Of The Astrochemical Molecules Sicp And Alcp, Vincent J. Esposito, Tarek Trabelsi, Rebecca Firth, Ryan C. Fortenberry, Joseph S. Francisco
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Through characterization of the electronic excited-state topology, linear-SiCP is predicted to be photostable in the UV region, whereas linear-AlCP is predicted to undergo photodissociation to form Al+CP products after absorption of light in the 200–250 nm range, representing a catalytic process for freeing aluminum molecules from a solid dust grain. Both SiCP and AlCP are predicted to have electronic transitions with large absorption cross sections (∼10–17 cm2) and to undergo fluorescence from bound excited states. The total electronic absorption spectrum is provided to inform electronic spectroscopy experiments. Silicon (SiC) and aluminum (Al2O3) dust …
Designing Novel Bisquinoline Antimalarials From Historical 4-Aminoquinolines To Combat Drug-Resistant Malaria, Mason J. Handford, Yuexin Li, Terry Riscoe, Xiaowei Zhang, Jane X. Kelly, Michael K. Riscoe
Designing Novel Bisquinoline Antimalarials From Historical 4-Aminoquinolines To Combat Drug-Resistant Malaria, Mason J. Handford, Yuexin Li, Terry Riscoe, Xiaowei Zhang, Jane X. Kelly, Michael K. Riscoe
Chemistry Faculty Publications and Presentations
Plasmodium falciparum, the deadliest causative agent of malaria, continues to evade eradication efforts through widespread drug resistance. The recent development of ADC-028, a 4-aminoquinoline antimalarial with excellent activity and pharmacokinetic properties, prompted the investigation of bisquinoline analogs featuring similar structural motifs. Here, we describe a structure-activity relationship study that guided the optimization of compounds with key features, including the 4-anilinoquinoline core and diverse bridging linkers. Several analogs exhibited potent in vitro activity (IC50 < 20 nM) against both drug-sensitive and multidrug-resistant P. falciparum strains, while maintaining favorable cytotoxicity profiles. Among them, 25 demonstrated improved intrinsic metabolic stability (t1/2 = 121 min) and potent in vivo efficacy (ED50 = 0.32 mg/kg/day), achieving complete curative protection at a reduced dose compared to ADC-028. While 25 showed moderately reduced oral bioavailability (F = 43%) and a shorter half-life (T1/2 = 27.2 h) relative to ADC-028, its enhanced in vivo efficacy underscores its therapeutic potential. This work highlights a promising path forward in developing antimalarials that retain the efficacy of legacy compounds while overcoming modern resistance mechanisms.
The Enthalpy Of Formation Of Acetylenes And Aromatic Nitro Compounds For A Group Contribution Method With “Chemical Accuracy”, R. J. Meier, Paul R. Rablen
The Enthalpy Of Formation Of Acetylenes And Aromatic Nitro Compounds For A Group Contribution Method With “Chemical Accuracy”, R. J. Meier, Paul R. Rablen
Chemistry & Biochemistry Faculty Works
In this paper we provide the Group Contribution parameters for acetylenes and aromatic nitro compounds fitting with a recently developed Group Contribution method with chemical accuracy (1 kcal/mol) for the heat of formation of organics. These additional parameters widen the applicability of the Group Contribution method. We also provide further G4 quantum calculated values as reference when no experimental data are available and compare to previously reported G4 data.
In Vitro Pharmacological Evaluation Of Novel Cmpi Derivatives As Selective Positive Allosteric Modulators Of The Alpha4 Beta2 Nicotinic Acetylcholine Receptor, Josue Gaona, Nataly Sanchez, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda
In Vitro Pharmacological Evaluation Of Novel Cmpi Derivatives As Selective Positive Allosteric Modulators Of The Alpha4 Beta2 Nicotinic Acetylcholine Receptor, Josue Gaona, Nataly Sanchez, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda
School of Medicine Student Publications and Presentations
Nicotinic acetylcholine receptors (nAChRs) contribute to the pathogenesis of neurodegenerative diseases such as Parkinson’s disease (PD), where degeneration of dopaminergic and cholinergic neurons disrupts neurotransmission. The (α4)₃(β2)₂ nAChR subtype is expressed on affected neuronal populations and represents a promising therapeutic target. Positive allosteric modulators (PAMs) may enhance receptor function while preserving endogenous signaling. We evaluated chemical derivatives of CMPI [3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazol] as selective PAMs of (α4)₃(β2)₂ nAChRs. Two-electrode voltage-clamp recordings were performed in Xenopus laevis oocytes expressing defined receptor stoichiometries to assess potentiation and generate dose–response curves. Cytotoxicity was assessed in HEK cells using the MTT assay. Substitutions at the pyrazole …
Microstructural Evolution Of Zirconium Diboride Irradiated With 5–10 Mev Au Ions At Room Temperature And 570 °C, Narrie Loftus, José Olivares, Miguel Crespillo, Esther Enríquez Pérez, Jeremy Watts, Eric W. Bohannan, Gregory Hilmas, William Fahrenholtz, Joseph Graham
Microstructural Evolution Of Zirconium Diboride Irradiated With 5–10 Mev Au Ions At Room Temperature And 570 °C, Narrie Loftus, José Olivares, Miguel Crespillo, Esther Enríquez Pérez, Jeremy Watts, Eric W. Bohannan, Gregory Hilmas, William Fahrenholtz, Joseph Graham
Materials Science and Engineering Faculty Research & Creative Works
Zirconium diboride was irradiated with 5 MeV Au2 + , 7 MeV Au4+ and 10 MeV Au3+ ions at room temperature and 570 °C to doses from 1 to 8 displacements per atom (dpa). Grazing incidence X-ray diffraction (GIXRD) analysis revealed no secondary phase formation. Rietveld analysis of the GIXRD data indicated an accumulation of microstrain at low dpa and room temperature. Dislocations observed in transmission electron microscopy (TEM) cross-sections are likely the main contributor to the microstrain. High dpa and high-temperature samples exhibit lower lattice distortion than lower dpa samples, suggesting the presence of enhanced defect …