Open Access. Powered by Scholars. Published by Universities.®

Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

Discipline
Institution
Keyword
Publication Year
Publication
Publication Type
File Type

Articles 721 - 750 of 33132

Full-Text Articles in Chemistry

Novel Eco-Friendly Synthesis Of Coo Nps: Evaluation Of Their Diode Laser-Enhanced Inhibitory Activity Through Combined In Silico And In Vitro Approaches., Arshad Mahdi Hamad, Sahar Naji Rashid Nov 2025

Novel Eco-Friendly Synthesis Of Coo Nps: Evaluation Of Their Diode Laser-Enhanced Inhibitory Activity Through Combined In Silico And In Vitro Approaches., Arshad Mahdi Hamad, Sahar Naji Rashid

Karbala International Journal of Modern Science

In our study, for the first time worldwide, to the best of our knowledge, cobalt oxide nanoparticles (CoO NPs) were synthesized using naringin (Nar) extracted from citrus peels. The properties of the prepared Nar-CoO NPs were studied using field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX), ultraviolet-visible (UV-Vis), X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. All the test results demonstrated the efficiency and success of the nanofabrication process. The solution was then exposed to three types of diode lasers: red (650 nm), green (532 nm), and blue (405 nm). The purpose of this study was …


Synergistic Doping And Coating Strategy For Boosting Na0.7mno2 Cathode Performance In Sodium-Ion Batteries, Ahmad Helaley, Han Yu, Manashi Nath, Xinhua Liang Nov 2025

Synergistic Doping And Coating Strategy For Boosting Na0.7mno2 Cathode Performance In Sodium-Ion Batteries, Ahmad Helaley, Han Yu, Manashi Nath, Xinhua Liang

Chemistry Faculty Research & Creative Works

Advancing sodium-ion battery (SIB) technology requires novel approaches to optimize cathode materials for improved electrochemical performance. In this study, we employ atomic layer deposition (ALD) to precisely modify the surface of P2-type Na0.7MnO2 cathodes with different coating materials including ZnO, NiO, and Al2O3, followed by post-annealing at 750°C for 10 hours. The strategic combination of ALD and thermal treatment can achieve thin film coating on particle surface and promote element doping into the near-surface lattice, as confirmed by electron energy loss spectroscopy (EELS) analysis. The incorporation of Zn, Al, and Ni results in …


Unraveling Hydration- And Temperature-Induced Structural Transformations Of Linear Poly(Ethylenimine) Using Raman Microscopy And Numerical Unmixing, Miharu Koh, Jay P. Kitt, Andrew D. Pendergast, Joel M. Harris, Shelley D. Minteer, Carol Korzeniewski Nov 2025

Unraveling Hydration- And Temperature-Induced Structural Transformations Of Linear Poly(Ethylenimine) Using Raman Microscopy And Numerical Unmixing, Miharu Koh, Jay P. Kitt, Andrew D. Pendergast, Joel M. Harris, Shelley D. Minteer, Carol Korzeniewski

Chemistry Faculty Research & Creative Works

Linear poly(ethylenimine) (LPEI) is a hydration-sensitive polymer of interest for its breadth of application in areas that include medicine, energy, and materials science. To facilitate advances, this work demonstrates in situ Raman microscopy and self-modeling curve resolution (SMCR) analysis as an approach for investigating changes in LPEI structure during melting and crystallization under controlled heating and cooling conditions. With focus on neutral (freebase) LPEI, SMCR analysis of Raman data sets showed that the melting transition of anhydrous LPEI was well described by a pair of spectral vectors representing anhydrous crystalline and amorphous states. However, the transition from the melted to …


The Relation Between Transport Properties And Solvation Structure For Electrolytes., Emanuel Naumann, Lalita Rai, Xingyi Lyu, Huong Nguyen, Tao Li Nov 2025

The Relation Between Transport Properties And Solvation Structure For Electrolytes., Emanuel Naumann, Lalita Rai, Xingyi Lyu, Huong Nguyen, Tao Li

Honors Capstones

With continued progress in portable technology, energy storage has become an important factor to improve upon as batteries are found in a variety of everyday devices. Lithium-ion batteries are particularly common, although current technology features shortcomings in thermal stability, efficiency, and cost. Such shortcomings are related to current electrolytes in such technologies. The following experiment aims, for noteworthy alternative electrolytes, to analyze both macroscopic measurements related to transport properties and spectroscopy measurements that give insight into samples’ solvation structures. Such data are then used to identify the most promising electrolytes of the ones tested. Solutes tested include the promising imide-based …


Direct Arylation Of 1,10-Phenanthroline Using An Organomagnesium Reagent, Nathanael A. Hirscher, Julian B. O. Van Esselstine, Bryan C. Yapo, Nadia Asif Masood, Erika L. Vandooijeweert Nov 2025

Direct Arylation Of 1,10-Phenanthroline Using An Organomagnesium Reagent, Nathanael A. Hirscher, Julian B. O. Van Esselstine, Bryan C. Yapo, Nadia Asif Masood, Erika L. Vandooijeweert

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Substituted derivatives of 1,10-phenanthroline are important ligands in inorganic chemistry. Such ligands are often synthesized by nucleophilic addition of aryl- or alkyllithium reagents to the carbon positions adjacent to the phenanthroline nitrogens. The typical reaction sequence (organolithium addition, protonolysis, oxidation, and rearomatization) has been widely used and seldom improved. We sought to replace lithium-based reagents with safer reagents based on magnesium (i.e., Grignards). The effective use of an arylmagnesium reagent in the production of a phenanthroline ligand derivative is now disclosed. Additionally, our newly reported method avoids the use of a heterogeneous oxidant (MnO2) which the traditional method employed in …


Sigma-Hole-Supported Interactions In Complexes Of Group 5 Oxyhalides (Mox3) With Insights For Their Extended Solids, Donovan Hoilette Jr., Gabriel F. Stewart, Kelling J. Donald Nov 2025

Sigma-Hole-Supported Interactions In Complexes Of Group 5 Oxyhalides (Mox3) With Insights For Their Extended Solids, Donovan Hoilette Jr., Gabriel F. Stewart, Kelling J. Donald

Chemistry Faculty Publications

The existence and nature of sigma hole type interactions in inorganic extended solids remain largely unexamined, even though the influence of such interactions for heteroorganic compounds is well known. The series of group 5 MOX3oxyhalides are intriguing in this regard since several of the known crystal structures are molecular solids with highly polarized M centers. We examine computationally the bonding in the isolated MOX3 molecules and their smallest clusters (MOX3)nwhere M = V, Nb, and Ta, and X = H, F, Cl, Br, and I. That investigation provides us with substantial evidence, based …


Postmortem Vitreous Humor As An Alternative Matrix To Peripheral Blood For Benzodiazepine Detection, Sara Bussey Nov 2025

Postmortem Vitreous Humor As An Alternative Matrix To Peripheral Blood For Benzodiazepine Detection, Sara Bussey

Honors Theses

Benzodiazepines are commonly prescribed secondary drugs of abuse that cause Central Nervous System depression through the neurotransmitter gamma aminobutyric acid. While not commonly fatal on their own, benzodiazepines have a minor risk for physical dependence and abuse. They also can have cumulative effects with other medications that can lead to overdose situations; thus, they are considered secondary drugs of abuse. While peripheral blood is considered the standard for xenobiotic detection in postmortem forensic toxicology, it is important to consider the validity of alternative matrices that could be analyzed in the event that blood was not available due to circumstances like …


Synthesis And Characterization Of Eco-Engineered Hollow Fe2o3/Carbon Nanocomposite Spheres: Evaluating Structural, Optical, Antibacterial, And Lead Adsorption Properties, Islam Gomaa, Nikita Yushin, Mekki Bayachou, Vojislav Stani´, Inga Zinicovscaia Nov 2025

Synthesis And Characterization Of Eco-Engineered Hollow Fe2o3/Carbon Nanocomposite Spheres: Evaluating Structural, Optical, Antibacterial, And Lead Adsorption Properties, Islam Gomaa, Nikita Yushin, Mekki Bayachou, Vojislav Stani´, Inga Zinicovscaia

Chemistry Faculty Publications

This work presents a facile mechano-thermal route for the synthesis of carbon-decorated, hollow, mesoporous alpha-Fe2O3 microspheres. Comprehensive characterization (XRD, XPS, FT-IR, SEM/EDX, TGA, zeta-potential) confirmed the formation of phase-pure hematite with nanoscale crystallites (similar to 19 nm), substantial residual surface carbon (similar to 40 wt%) consistent with Fe-O-C linkages, and a positive surface charge (+15.9 mV). The hierarchical hollow/mesoporous architecture enables fast ion transport and provides extensive interior binding sites, resulting in rapid Pb(II) uptake that reaches 92% removal in approximate to 15 min at pH 5.0. The adsorption follows a Langmuir isotherm (q(max) approximate to 70.6 mg/g) and pseudo-second-order …


On Heat Engines Having Efficiencies That Degrade With Every Cycle That Are Nonetheless Reversible: The Wonders Of Hilbert Curves In The Pressure-Volume Plane, Daniel Graham Nov 2025

On Heat Engines Having Efficiencies That Degrade With Every Cycle That Are Nonetheless Reversible: The Wonders Of Hilbert Curves In The Pressure-Volume Plane, Daniel Graham

Chemistry: Faculty Publications and Other Works

Heat engines are cornerstones in classical thermodynamics, not to mention fixtures of everyday life. As everyone knows, real heat engines are rife with sources of irreversibility, and, in turn, have efficiencies that degrade over time. Here we chart a classical heat engine whose efficiency degrades with every cycle, but maintains perfect reversibility nonetheless. There are no paradoxes in play due to the inviolability of the thermodynamic laws. Rather the engine operates transparently according to Hilbert curves that fill the pressure-volume plane. The assembly of the curves is iterative and digital whereby no information is lost over every cycle.


Analysis Of An Effective Training Curriculum: Solutions Toincrease Participants' Interest In Training Teachingmaterials, Maulidya Husnul Khatimah, Yoto Yoto Nov 2025

Analysis Of An Effective Training Curriculum: Solutions Toincrease Participants' Interest In Training Teachingmaterials, Maulidya Husnul Khatimah, Yoto Yoto

Jurnal Pendidikan Sains

This research is important because it analyzes the curriculum as a primary tool for generating and maintaining participant interest. Curricula that are irrelevant, monotonous, or misaligned with participant needs are often the main causes of low motivation and participation. Furthermore, this research encourages the exploration and implementation of more innovative teaching methods and materials in training curricula. External pressure in the form of demands or instructions, rather than internal motivation, drives most training activities. This can reduce engagement and learning effectiveness. To overcome this, training institutions need to design programs that are relevant, flexible, and able to encourage participants' intrinsic …


Augmented Reality-Assisted E-Module On Temperature Andheat Content (Emarks), Tetri Sabrina, Ika Mustika Sari, Dedi Sasmita Nov 2025

Augmented Reality-Assisted E-Module On Temperature Andheat Content (Emarks), Tetri Sabrina, Ika Mustika Sari, Dedi Sasmita

Jurnal Pendidikan Sains

Temperature and heat content (calor) material in physics often involves concepts and phenomena that are difficult to observe directly or are abstract (such as energy transfer, particle movement, and changes in state). EMARKS (AR-based E-modules) are important because Augmented Reality (AR) allows the visualization of these abstract concepts in the form of interactive 3D models in the user's real environment. This helps students understand the concepts more concretely and easily. The development of E-modules is an innovation in learning media that is relevant to the demands of the digital era and the needs of modern students. The use of advanced …


The Effect Of Guided Inquiry Model With Deep Learningapproach On Student’S Hots In Elements, Compounds,And Mixtures At Junior High School, Friska Pakpahana, Retno Dwi Suyanti Nov 2025

The Effect Of Guided Inquiry Model With Deep Learningapproach On Student’S Hots In Elements, Compounds,And Mixtures At Junior High School, Friska Pakpahana, Retno Dwi Suyanti

Jurnal Pendidikan Sains

The current education curriculum places a strong emphasis on developing HOTS skills (such as analyzing, evaluating, and creating) to prepare students for the challenges of the 21st century. School learning often focuses on lower-level cognitive domains (memorizing and understanding). This research seeks to address this gap by offering a potentially effective learning model. The guided inquiry model positions students as active participants in learning, encouraging them to investigate, discover, and formulate concepts independently with teacher guidance. This strongly supports the development of critical thinking and problem-solving skills. Therefore, this study aims to analyze the effect of the guided inquiry model …


Development Of Problem-Based Learning Worksheet Toenhance Ecoliteracy: Human Impact On Ecosystem, Ulina M.S. Simangunsong, B. Manurung, Martina Asiati Napitupulu Nov 2025

Development Of Problem-Based Learning Worksheet Toenhance Ecoliteracy: Human Impact On Ecosystem, Ulina M.S. Simangunsong, B. Manurung, Martina Asiati Napitupulu

Jurnal Pendidikan Sains

Ecoliteracy (ecological literacy) is an individual's ability to understand basic ecological principles and make environmentally responsible decisions. Improving ecoliteracy is a crucial foundation for realizing Education for Sustainable Development (ESD), which prepares students to become proactive citizens in protecting the environment. The problem-based learning model helps students learn on their own by using real-world environmental cases to get them to think critically and solve problems. Therefore, this research aims to determine the effectiveness of using problem-based learning worksheets to enhance the ecoliteracy of seventh-grade students. The development model used is 4-D. The research instruments include expert validation forms for subject, …


Development Of E-Lkpd Assisted By Phet Colorado Basedon Discovery Learning: Critical Thinking Skills On Lightmaterial At Junior High School, Flora Yani Saragih, Pintor Simamora Nov 2025

Development Of E-Lkpd Assisted By Phet Colorado Basedon Discovery Learning: Critical Thinking Skills On Lightmaterial At Junior High School, Flora Yani Saragih, Pintor Simamora

Jurnal Pendidikan Sains

Critical thinking is necessary for 21st-century pupils, but PISA data suggest that Indonesian students, especially junior high school students, lack it. The junior high science/physics light material is abstract and involves in-depth reasoning (reflection, refraction, and shadow generation). Without critical thinking, kids memorize formulas or notions without analyzing real phenomena. Discovery learning involves pupils discovering concepts via observation and experimentation. Critical thinking requires initiative, exploration, and reasoning, which these foster. Therefore, this study aims to develop E-LKPD based on Discovery Learning assisted by an interactive simulation of PhET Colorado to strengthen the critical thinking skills of grade VIII students on …


Guided Inquiry Learning Assisted By Crossword Puzzlemedia: Student Scientific Literacy And Critical Thinkingability For Middle School, Agis Putri Niswa, Mariati Purnama Simanjuntak, Ramlan Silaban, Fauziyah Harahap, Ridwan Abdullah Sani Nov 2025

Guided Inquiry Learning Assisted By Crossword Puzzlemedia: Student Scientific Literacy And Critical Thinkingability For Middle School, Agis Putri Niswa, Mariati Purnama Simanjuntak, Ramlan Silaban, Fauziyah Harahap, Ridwan Abdullah Sani

Jurnal Pendidikan Sains

Scientific literacy and critical thinking skills are two fundamental competencies that students need in the 21st century. Scientific literacy is essential for students to understand and use scientific knowledge to make informed decisions, while critical thinking trains students to analyze information, evaluate arguments, and solve problems logically. Therefore, the intent of this study was to determine the effect of the guided inquiry learning model assisted by crossword puzzle media on students’ scientific literacy and critical thinking skills. The type of research used was quasi-experimental with a two-group pretest-posttest design. The sample consisted of two classes: class VII-8 as the control …


Elucidating The Effects Of Water Activity On The Hydration Kinetics And Thermodynamics Of Ye’Elimite–Calcium Sulfate Hydrate Systems, Godwin I. Ogbuehi, Rupack R. Halder, Aditya Kumar, Gaurav Sant, Monday U. Okoronkwo Nov 2025

Elucidating The Effects Of Water Activity On The Hydration Kinetics And Thermodynamics Of Ye’Elimite–Calcium Sulfate Hydrate Systems, Godwin I. Ogbuehi, Rupack R. Halder, Aditya Kumar, Gaurav Sant, Monday U. Okoronkwo

Materials Science and Engineering Faculty Research & Creative Works

Relative humidity and water activity (aH) reductions have been known to suppress the hydration of anhydrous cement clinker phases. However, the relationship between ye'elimite (C4A3$) hydration kinetics and water activity remain unclear. This study employs experimental and thermodynamic modeling approaches to investigate the influence of water activity on ye'elimite hydration in the "C4A3$ + water", and "C4A3$ + gypsum + water" systems. Experimental findings indicate that as water activity decreases, C4A3$ hydration diminishes until the reaction is brought to a halt at a threshold aH. The critical aHand corresponding solubility constant of C4A3$ (KC4A3S¯) estimated from thermodynamic analysis are 0.46 …


Importance Of S-Doped Porous Carbon Acidity And Visible Light Photoactivity For Its Antibacterial Activity, Danela Sadikaj, Abanob Fekri, Isabelle Bautista, Nafisatu Davis, Tasnim Agha Alkla, Muhammad Moueed Haider Mirza, Jiaying Wang, Phillip Stallworth, Natalie Hudson-Smith, Teresa J. Bandosz, Xiaojun Yu, Steven Greenbaum, Wanlu Li Nov 2025

Importance Of S-Doped Porous Carbon Acidity And Visible Light Photoactivity For Its Antibacterial Activity, Danela Sadikaj, Abanob Fekri, Isabelle Bautista, Nafisatu Davis, Tasnim Agha Alkla, Muhammad Moueed Haider Mirza, Jiaying Wang, Phillip Stallworth, Natalie Hudson-Smith, Teresa J. Bandosz, Xiaojun Yu, Steven Greenbaum, Wanlu Li

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Bactericidal activity of sulfur-doped carbon has been investigated against a common Gram-negative bacterium, Escherichia coli K-12 (E. coli), in aqueous solution. Under dark conditions, 1 h contact of carbon with bacteria resulted in a 3–4 log decrease from the initial concentration of 7 log. When exposed to visible light, a 6–7 log decrease in E. coli was observed. The bactericidal activity under dark conditions was linked to the effects of functional groups, particularly sulfonic groups, which released protons that contributed to bacterial death. Even though under visible light no reactive oxygen species (ROS) were detected in electron paramagnetic …


Electrochemical Breath Sensors In Medical Diagnostics: Emerging Trends And Future Directions, Natalie E. Strom, Courtney J. Weber, Olja Simoska Nov 2025

Electrochemical Breath Sensors In Medical Diagnostics: Emerging Trends And Future Directions, Natalie E. Strom, Courtney J. Weber, Olja Simoska

Faculty Publications

With the rising prevalence of metabolic diseases, infections, and mental health disorders, there is a growing demand for noninvasive diagnostic tools that enable early detection and continuous health monitoring. In this context, exhaled breath biomarkers provide insight into physiological and pathological processes. Electrochemical breath sensors (EBSs) have emerged as a promising platform for rapid, real-time, and cost-effective disease tracking via the detection of volatile breath biomarkers, such as NH3, NO, and CO2. Recent advancements in electrode materials, biological recognition elements, and sensor architectures—spanning nanomaterials, enzymes, aptamers, and molecularly imprinted polymers—have enhanced the analytical performance of EBSs. …


Electrochemical Breath Sensors In Medical Diagnostics: Emerging Trends And Future Directions, Natalie E. Strom, Courtney J. Weber, Olja Simoska Nov 2025

Electrochemical Breath Sensors In Medical Diagnostics: Emerging Trends And Future Directions, Natalie E. Strom, Courtney J. Weber, Olja Simoska

Faculty Publications

With the rising prevalence of metabolic diseases, infections, and mental health disorders, there is a growing demand for noninvasive diagnostic tools that enable early detection and continuous health monitoring. In this context, exhaled breath biomarkers provide insight into physiological and pathological processes. Electrochemical breath sensors (EBSs) have emerged as a promising platform for rapid, real-time, and cost-effective disease tracking via the detection of volatile breath biomarkers, such as NH3, NO, and CO2. Recent advancements in electrode materials, biological recognition elements, and sensor architectures—spanning nanomaterials, enzymes, aptamers, and molecularly imprinted polymers—have enhanced the analytical performance of EBSs. …


Experimental And Anharmonic Theoretical Spectroscopic Benchmarks Of Nitrogenated And Doubly-Nitrogenated Polycyclic Heterocycles, Selma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Vincent J. Esposito Nov 2025

Experimental And Anharmonic Theoretical Spectroscopic Benchmarks Of Nitrogenated And Doubly-Nitrogenated Polycyclic Heterocycles, Selma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Vincent J. Esposito

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

In this study, we report the first high-resolution gas-phase infrared absorption spectra and anharmonic vibrational simulations for three nitrogenated aromatic molecules, namely indole (C8H7N), 1,5-diazabicyclo[4.3.0]non-5-ene (DBN; C7H12N2), and 1,8- diazabicyclo[5.4.0]undec-7-ene (DBU; C9H16N2) with excellent agreement between measurement and computation. Anharmonic cascade emission spectra (2–8 eV) of the three systems show that nitrogen substitution strongly modifies the emission spectra: indole reproduces the unidentified 3.3 μm emission in Titan’s atmosphere, while DBN and DBU exhibit redshifted aliphatic C–H stretches. In the 5–10 μm region, …


Bioaccumulation Pattern Of Per- And Polyfluoroalkyl Substances (Pfas) In Fish Tissues From Two Freshwater Systems, Margaret D. Taiwo, Husam Kafeenah, David D. Duvernell, Michael O. Eze Nov 2025

Bioaccumulation Pattern Of Per- And Polyfluoroalkyl Substances (Pfas) In Fish Tissues From Two Freshwater Systems, Margaret D. Taiwo, Husam Kafeenah, David D. Duvernell, Michael O. Eze

Biological Sciences Faculty Research & Creative Works

Per- and polyfluoroalkyl substances (PFAS) are known for their persistence, ubiquity, bioaccumulation in different matrices of the environment and their detrimental effect on human health. In this study, we used EPA 1633 to examine the prevalence of ten PFAS compounds in two freshwater systems and investigated their bioaccumulation pattern across different tissues of grass carp fish (Ctenopharyngodon idella), common carp (Cyprinus carpio), and flathead catfish (Pylodictis olivaris). Among the PFAS compounds analyzed, PFBS exhibited the highest concentration in the freshwater sample, exceeding the U.S. EPA regulatory limit of 4 ng/L for drinking water. The total PFAS concentrations in the muscle, …


Cobalt Layered Double Hydroxide As Advanced Electrode Materials For Supercapacitors And Electrocatalysis, Wafa Sultan Alaryani Nov 2025

Cobalt Layered Double Hydroxide As Advanced Electrode Materials For Supercapacitors And Electrocatalysis, Wafa Sultan Alaryani

Theses

Due to the high demand for sustainable energy storage options and efficient energy conversion devices, extensive research has been conducted on various electrode materials. This thesis is concerned with the fabrication of electrode material mainly using cobalt-based material, particularly cobalt layered double hydroxides (Co-LDH) with the combination of nitrogen-doped carbon nanotubes (N-CNTs) to be used in supercapacitors and oxygen evolution reactions (OERs) applications. The main objective is to enhance the electrochemical performance of supercapacitors and to develop a novel electrode material for a more stable and efficient OER in alkaline medium.

The methodology involved a one-step hydrothermal procedure to synthesize …


Substituted Piperidines As (Alpha4)3(Beta2)2 Nicotinic Acetylcholine Receptor Positive Allosteric Modulators: In Vitro Pharmacology, Nataly Sanchez, Josue Gaona, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda Nov 2025

Substituted Piperidines As (Alpha4)3(Beta2)2 Nicotinic Acetylcholine Receptor Positive Allosteric Modulators: In Vitro Pharmacology, Nataly Sanchez, Josue Gaona, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda

School of Medicine Student Publications and Presentations

Nicotinic acetylcholine receptors (nAChRs) play a crucial role in the pathogenesis of neurodegenerative diseases such as Parkinsonʼs disease (PD). In PD, degeneration of dopaminergic and cholinergic neurons impairs neurotransmitter release, leading to cognitive and motor dysfunction. Current treatments provide only symptomatic relief, highlighting the need for novel therapeutic strategies. The (α4)₃(β2)₂ subtype of nAChRs is expressed on affected neurons, making it a promising druggable target for enhancing neurotransmitter release and providing neuroprotection. To explore the therapeutic potential of positive allosteric modulators (PAMs) of (α4)₃(β2)₂ nAChRs, we evaluated chemical derivatives of CMPI [3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole]. We used two-electrode voltage-clamp recordings from Xenopus laevis …


Neural Network Ensemble For Computing Cross Sections Of Rotational Transitions In H2O + H2O Collisions, Bikramaditya Mandal, Dmitri Babikov, Phillip C. Stancil, Robert C. Forrey, Roman V. Krems, Naduvalath Balakrishnan Nov 2025

Neural Network Ensemble For Computing Cross Sections Of Rotational Transitions In H2O + H2O Collisions, Bikramaditya Mandal, Dmitri Babikov, Phillip C. Stancil, Robert C. Forrey, Roman V. Krems, Naduvalath Balakrishnan

Chemistry Faculty Research and Publications

Water (H2O) is one of the most abundant molecules in the universe and is found in a wide variety of astrophysical environments. Rotational transitions in H2O + H2O collisions are important for modeling environments rich in water molecules but they are computationally intractable using quantum mechanical methods. Here, we present a machine learning (ML) tool using an ensemble of neural networks (NNs) to predict cross sections to construct a database of rate coefficients for rotationally inelastic transitions in collisions of complex molecules such as water. The proposed methodology utilizes data computed with a mixed …


Versatile Nitration Of Bodipy Dyes Using No₂Bf₄: Effects Of Nitro Substituents On Spectroscopic And Self-Assembly Properties, Caroline Sarange Gwaro Oct 2025

Versatile Nitration Of Bodipy Dyes Using No₂Bf₄: Effects Of Nitro Substituents On Spectroscopic And Self-Assembly Properties, Caroline Sarange Gwaro

LSU Master's Theses

This study explores the regioselective nitration of BODIPY dyes at the 2, 3- and 2,6-positions using nitronium tetrafluoroborate (NO₂BF₄), offering a high-yielding and mild synthetic route. The introduction of nitro groups significantly alters the dyes’ photophysical and self-assembly properties. Mono-nitrated BODIPYs exhibit hypsochromic shifts in absorption and emission spectra, increased dipole moments, enhanced Stokes shifts, and reduced molar absorptivity. In contrast, di-nitrated analogs show bathochromic shifts and decreased dipole moments in both ground and excited states. Spectroscopic characterization was performed using UV-vis and fluorescence spectroscopy, supported by density functional theory (DFT) calculations. Self-assembly behavior was investigated in polar (acetonitrile) and …


Direct And Indirect Effects Of Water-Table Levels On Redox-Active Organic Matter Reduction In An Alaskan Rich Fen, J. E. Rush, E. S. Kane, Jason K. Keller, J. C. Bowen, Cassandra A. Zalman, E. S. Euskirchen, K. H. Wyatt, A. R. Rober, E. S. Hinckley Oct 2025

Direct And Indirect Effects Of Water-Table Levels On Redox-Active Organic Matter Reduction In An Alaskan Rich Fen, J. E. Rush, E. S. Kane, Jason K. Keller, J. C. Bowen, Cassandra A. Zalman, E. S. Euskirchen, K. H. Wyatt, A. R. Rober, E. S. Hinckley

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Redox-active organic matter (RAOM) reduction is an important control on methane production in northern peatlands, but it is unclear how global climate change will affect RAOM reduction. We investigated the effects of water-table levels on RAOM reduction by leveraging a long-term water-table manipulation experiment in an Alaskan fen, which includes Lowered and Raised treatment plots relative to a Control. Common substrate peat was incubated in each plot during one summer of experimental manipulation and another summer of site-wide flooding. During experimental manipulation, common substrate RAOM was more reduced in the Raised plot than the Lowered plot at both 10–20 cm …


Enzymes Of Calendula Officinalis L. As Affected By Foliar Application Of Nano-Nitrogen And Potassium Fertilizers, Under Water Stress Conditions, Aqeel Abdulabbas Alsudani, Qais Hussain Abbas Al-Semmak Oct 2025

Enzymes Of Calendula Officinalis L. As Affected By Foliar Application Of Nano-Nitrogen And Potassium Fertilizers, Under Water Stress Conditions, Aqeel Abdulabbas Alsudani, Qais Hussain Abbas Al-Semmak

Karbala International Journal of Modern Science

Water stress is a major environmental factor that limits the growth and productivity of Calendula officinalis L. To alleviate its negative effects, recent approaches have increasingly focused on nano-fertilizers that enhance plant antioxidant defenses. This study therefore aimed to evaluate the effect of foliar application of nano-nitrogen (0, 2, and 4 mL L⁻¹) and nano-potassium (0, 2, and 4 g L⁻¹) fertilizers under two irrigation regimes (100% and 50% of field capacity) on the activity of key antioxidant enzymes, including catalase (CAT), superoxide dismutase (SOD), and peroxidase (POD). The results revealed that irrigation at 50% field capacity significantly increased CAT, …


Defect-Driven Degradation Of Mxenes In Aqueous Environments And Mitigation Strategies: Insights From First-Principles, Ana Maria Stratulat, Valentina Nesterova, Vladislav Korostelev, Majid Beidaghi, Vadym Mochalin, Konstantin Klyukin Oct 2025

Defect-Driven Degradation Of Mxenes In Aqueous Environments And Mitigation Strategies: Insights From First-Principles, Ana Maria Stratulat, Valentina Nesterova, Vladislav Korostelev, Majid Beidaghi, Vadym Mochalin, Konstantin Klyukin

Chemistry Faculty Research & Creative Works

MXenes have attracted considerable attention due to their tunable surface chemistry, high electrical conductivity, and ease of solution processing, making them promising candidates for a wide array of applications. The inherent tendency of MXenes to degrade under environmental conditions constrains their compositional diversity and limits certain practical applications. Our computational study shows that degradation of defect-free Ti3C2Txis kinetically limited, whereas common defects markedly lower the activation barriers for water attack. Using ab initio molecular dynamics simulations (AIMD) combined with thermodynamic analysis, we show that titanium vacancies VTiact as active sites for the protonation of subsurface carbon …


Assessment Of Bacteriological Quality And Physico-Chemical Parameters Of Domestic Water Sources In Relation To Human Health Risk In Kigamboni, Tanzania, Joseph A. Mwakosya Oct 2025

Assessment Of Bacteriological Quality And Physico-Chemical Parameters Of Domestic Water Sources In Relation To Human Health Risk In Kigamboni, Tanzania, Joseph A. Mwakosya

Tanzania Journal of Science

Data on bacteriological quality and physico-chemical parameters is crucial for protection and sustainable utilization of water resources. This study determined bacteriological quality and physico-chemical parameters of well and tap water sourcesin relation to human health risk in Kigamboni, Tanzania. Thirty water samples were collected randomly and analyzed using SPSS software. The mean values for well water samples of pH, electrical conductivity (EC), total dissolved solids (TDS), turbidity, Chloride, Sulphate, Nitrate, Phosphate, and Calcium Carbonate were 7.2, 960.27 mg/L, 528.13 mg/L, 1.52 NTU, 288.00 mg/L, 30.13 mg/L, 0.05 mg/L, 0.08 mg/L, and 160.07 mg/L, respectively. The mean values for tap water …


Nickel (Ii) Complex Decorated Zinc-Cadmium Sulfide Type-Ii Heterojunction For Enhanced Photocatalytic Hydrogen Production, Miza Kombo, Abdul Muhamed, Suleiman Suleiman, An-Wu Xu Oct 2025

Nickel (Ii) Complex Decorated Zinc-Cadmium Sulfide Type-Ii Heterojunction For Enhanced Photocatalytic Hydrogen Production, Miza Kombo, Abdul Muhamed, Suleiman Suleiman, An-Wu Xu

Tanzania Journal of Science

The binary metal sulfide Zn0.5Cd0.5S has emerged as a promising photocatalyst for hydrogen (H2) production via visible-light-driven water splitting. However, its practical application is limited by rapid charge carrier recombination and insufficient stability. In this study, nickel (II)-(3-pyridyl) benzimidazole (NPBIm) complexes were synthesized and employed an ultrasonic-assisted method to decorate the surface of Zn0.5Cd0.5S, forming a novel metal-complex semiconductor heterostructure system (Zn0.5Cd0.5S/NPBIm). This hybrid system significantly enhances photocatalytic H2 evolution under visible light irradiation. Experimental findings reveal that the incorporation of NPBIm molecules improves the …