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Articles 451 - 480 of 33105

Full-Text Articles in Physical Sciences and Mathematics

Development Status And Existing Problems Of Ion-Solvation Membranes For Electrolysis Of Water, Zheng-Yuan Zhou, Yu-Tao Sun, Zheng-Bang Liu, Chuan-Zheng Wang, Yong-Nan Zhou, Xi Luo, Tian-Chi Zhou, Jin-Li Qiao Jan 2026

Development Status And Existing Problems Of Ion-Solvation Membranes For Electrolysis Of Water, Zheng-Yuan Zhou, Yu-Tao Sun, Zheng-Bang Liu, Chuan-Zheng Wang, Yong-Nan Zhou, Xi Luo, Tian-Chi Zhou, Jin-Li Qiao

Journal of Electrochemistry

Ion-solvaing membranes (ISMs) have received extensive attention in recent years as a key component in electrochemical energy conversion and storage devices. This article provides an overview of structural composition, performance advantages, research progress, ion conduction mechanism and existing issues of ISMs, primarily classifying them according to the matrix structure. A detailed analysis of performance enhancement methods, key performance indicators of ISMs and performance influencing factors is also presented. The article contributes to further optimizing the design and application of ion-solvation membranes, providing theoretical support for the development of fields such as hydrogen production through electrolysis of water and electrochemical energy …


The Ntp Anode For Aqueous Sodium Ion Batteries: Recent Advances And Future Perspectives, Ming-Li Wang, Xue-Ying Su, Zheng-Xiang Shan, Shu-Zhe Yang, Heng-Rui Guo, Hao Luo, Dong-Liang Chao Jan 2026

The Ntp Anode For Aqueous Sodium Ion Batteries: Recent Advances And Future Perspectives, Ming-Li Wang, Xue-Ying Su, Zheng-Xiang Shan, Shu-Zhe Yang, Heng-Rui Guo, Hao Luo, Dong-Liang Chao

Journal of Electrochemistry

Aqueous sodium-ion batteries (ASIBs) have attracted great attention in aqueous batteries due to their merit of high safety. However, the constrained work potential and insufficient chemical stability of anode materials in aqueous electrolytes hinder the large-scale application of ASIBs. Sodium titanium phosphate, NaTi2(PO4)(NTP), is considered one of the most promising anode materials for ASIBs due to its excellent electrochemical performance and tunable structure. Recently, great achievements have been made in the development of NTP, however, a comprehensive review of existing studies is still lacking. This article firstly introduces the basic properties of NTP and …


Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang Jan 2026

Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang

Journal of Electrochemistry

Exploring cost-effective and efficient catalysts for oxygen reduction reaction (ORR) poses a significant challenge, especially in the pursuit of alternatives to precious metals like platinum. Significant advancements have driven electrochemists to develop efficient ORR catalysts using abundant materials, particularly iron (Fe)-based, known for their exceptional performance in ORR. While the crucial function of Fe in boosting ORR catalytic activity is recognized, the connection between material attributes and catalytic performance remains enigmatic. Understanding the dynamic processes involved in oxygen electrocatalysis is paramount for designing precious-metals-free ORR electrocatalysts. Mössbauer spectroscopy stands out as a powerful technique for deciphering the structural characteristics of …


Development Of Salinomycin Analogs As Potential Anti-Cancer Agents, Pavan Goud Juluri Jan 2026

Development Of Salinomycin Analogs As Potential Anti-Cancer Agents, Pavan Goud Juluri

Theses and Dissertations

Salinomycin, a poly-ionophore antibiotic originally isolated from Streptomyces albus, exhibits antimicrobial activity against Gram-positive bacteria. Over the years Salinomycin has been studied in the effects it has on cancer, specifically cancer stem cells. Poly(ADP-ribose) polymerase (PARP) is an enzyme involved in DNA repair. Inhibiting PARP has been explored as a strategy in cancer treatment, particularly in cancers with defective DNA repair mechanisms, such as those with BRCA mutations. The benzo-thiazoles, and -imidazoles are identified as inhibitor scaffolds, which compete with nicotinamide in the binding pocket of human poly- and mono-ADP-ribosylating enzymes. Benzothiazole, and benzimidazole based compounds particularly with modification at …


Lead Levels In Fingernails Of Hemodialysis Patients And Healthy Individuals In Karbala, Iraq: A Biomonitoring Study Using Icp Oes, Baker A. Joda, Rusul Jaafar, Rana Hameed, Hiba Sadeq Alheloo, Sadeq Jaafar Hasan Dwenee Jan 2026

Lead Levels In Fingernails Of Hemodialysis Patients And Healthy Individuals In Karbala, Iraq: A Biomonitoring Study Using Icp Oes, Baker A. Joda, Rusul Jaafar, Rana Hameed, Hiba Sadeq Alheloo, Sadeq Jaafar Hasan Dwenee

Karbala International Journal of Modern Science

The use of non-invasive media to evaluate the association between trace elements and diseases has spread in recent centuries. Fingernail samples were collected from 103 individuals, including both healthy participants and those undergoing hemodialysis, residing in Karbala, Iraq, and ranging in age from 21 to 75 years. The concentrations of lead were determined using an Inductively Coupled Plasma Optical Emission Spectrometry (ICP OES). Statistical analyses using F-tests and two-tailed t-tests were conducted to examine the effects of health status, gender, smoking status, and their interactions on lead levels in washed fingernails. The concentrations of Pb in washed fingernails of healthy …


The Gut Microbiota Shapes The Human And Murine Breath Volatilome, Ariel J. Hernandez-Leyva, Amalia Z. Berna, Maggie H. Bui, Yang Liu, Anne L. Rosen, Michael A. Lint, Samantha A. Whiteside, Natalia Jaeger, Nikhilesh Joardar, Wentai Luo, Multiple Additional Authors Jan 2026

The Gut Microbiota Shapes The Human And Murine Breath Volatilome, Ariel J. Hernandez-Leyva, Amalia Z. Berna, Maggie H. Bui, Yang Liu, Anne L. Rosen, Michael A. Lint, Samantha A. Whiteside, Natalia Jaeger, Nikhilesh Joardar, Wentai Luo, Multiple Additional Authors

Chemistry Faculty Publications and Presentations

The gut microbiota is crucial to health, yet implementation of microbiota-based therapeutics is limited by the lack of rapid diagnostics. We hypothesize that breath contains gut microbe-derived volatile organic compounds (VOCs) reflecting microbiota composition and metabolism. In healthy children, we found that breath VOC composition (or volatilome), assessed by gas chromatography-mass spectrometry, correlates with gut microbiome composition and function. By capturing exhaled breath from human-stool-colonized and monocolonized gnotobiotic mice, we profiled breath VOCs and discovered that murine breath is also significantly influenced by the gut microbiome. VOCs from cultured gut microbes were identified in vivo in monocolonized gnotobiotic colonized mice. …


Synthesis And Characterization Of Tio₂@Zn₂Sno₄ Composite As A Novel Uv Filter With Reduced Photocatalytic Activity And Low Toxicity For Sunscreen Applications, Rusul Kadhim Naser, Kadhim Al-Attafi, Muntadher Abdulsalam A.Al.Alrabeeah Jan 2026

Synthesis And Characterization Of Tio₂@Zn₂Sno₄ Composite As A Novel Uv Filter With Reduced Photocatalytic Activity And Low Toxicity For Sunscreen Applications, Rusul Kadhim Naser, Kadhim Al-Attafi, Muntadher Abdulsalam A.Al.Alrabeeah

Karbala International Journal of Modern Science

This study builds upon our recent investigation, which utilized various morphologies and particle sizes of Zn₂SnO₄ and TiO₂. Zn₂SnO₄ can block UVB and part of UVA and shows much less photocatalytic activity than TiO₂. Herein, the current study aims to reduce the photocatalytic activity of TiO, a compound often utilized as an ultraviolet (UV) filter in sunscreen, by incorporating Zn₂SnO₄ as a composite. Since Zn₂SnO₄ produces much fewer free radicals, in terms of the reactive oxygen species (ROS), due to its low photocatalytic activity. To overcome or minimize the high photocatalytic activity of TiO₂, composite materials TiO₂@Zn₂SnO₄ …


Heterogeneous Catalysis Of Large Biomolecules: Insights From Platinum Particle Size In Nad+Regeneration, Jianwei Li, Samuel Robertshaw, Shouying Huang, Shelley D. Minteer, Xiaodong Wang Jan 2026

Heterogeneous Catalysis Of Large Biomolecules: Insights From Platinum Particle Size In Nad+Regeneration, Jianwei Li, Samuel Robertshaw, Shouying Huang, Shelley D. Minteer, Xiaodong Wang

Chemistry Faculty Research & Creative Works

Nicotinamide adenine dinucleotide (NAD+) cofactor regeneration is essential for enabling dehydrogenase-promoted biosynthesis for value-added chemicals. Heterogeneous catalytic cofactor regeneration, using supported metal catalysts, is an emerging approach and has shown great promise. However, mechanistic insight remains largely unexplored. In this work, a series of silica-supported platinum (Pt) catalysts have been prepared for NAD+ cofactor regeneration, to understand the roles of Pt particle size and structure. A turnover frequency (TOF) 'volcano plot' was obtained for Pt clusters in the range of 2.2–7.1 nm, with the maximum TOF (136 h−1) observed at 5.6 nm. Selective Pt site …


Studies Of Rhenium(I) Complexes With Protic Ligand Backbones: Base-Enabled Substitution And Co₂ Reduction, Konkanok Mathuros Jan 2026

Studies Of Rhenium(I) Complexes With Protic Ligand Backbones: Base-Enabled Substitution And Co₂ Reduction, Konkanok Mathuros

Theses and Dissertations from DePaul University

Carbon dioxide is a major contributor to global climate change, and developing efficient electrocatalysts for its reduction to useful products remains an important challenge in renewable energy and sustainable chemistry. Rhenium(I) tricarbonyl complexes have been widely studied for selective CO₂-to-CO conversion, and recent efforts have focused on understanding how ligand structure and proton-coupled electron transfer (PCET) processes govern catalytic activity. In this work, two families of rhenium complexes with protic backbones, fac-Re(PyBim)(CO)₃L and fac-Re(BidmimH)(CO)₃L (PyBimH = 2-(2′-pyridyl)benzimidazole; BidmimH₂ = 2,2′-bis(4,5-dimethylimidazole); L = neutral ligands), were synthesized and characterized to investigate the influence of axial ligand electronics on CO₂ reduction behavior. …


Development Trends And Implications Of Muti-Objective Marine Environmental Forecasting Technology, Yineng Li, Yuhang Zhu, Shiqiu Peng, Zhiwu Chen, Xing Wei, Junmin Li, Shaodian Li, Peiwei Xie, Jiawen Liao, Yankun Gong, Shilin Tang, Shuqun Cai Jan 2026

Development Trends And Implications Of Muti-Objective Marine Environmental Forecasting Technology, Yineng Li, Yuhang Zhu, Shiqiu Peng, Zhiwu Chen, Xing Wei, Junmin Li, Shaodian Li, Peiwei Xie, Jiawen Liao, Yankun Gong, Shilin Tang, Shuqun Cai

Bulletin of Chinese Academy of Sciences (Chinese Version)

With the continuous expansion of global maritime activities and the steady advancement of the “maritime power” strategy, marine environmental security has become a top priority for China. In deep-sea areas, various environmental parameters such as temperature, salinity, sound velocity, wave dynamics, internal solitary waves, and nearshore rip currents play a crucial role in navigation safety and underwater equipment operations. Nevertheless, traditional single-parameter forecasting models are no longer sufficient to meet the demands of multi-objective environmental protection. As a result, there is a growing need for a high-resolution, multi-objective forecasting system that integrates basic oceanographic element predictions (such as temperature, salinity, …


Current Status And Prospects Of Ocean Data Reanalysis, Chuanyu Liu, Fan Wang Jan 2026

Current Status And Prospects Of Ocean Data Reanalysis, Chuanyu Liu, Fan Wang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Ocean data reanalysis (ODR) is a technique that combines ocean observational data with ocean circulation models to produce gridded data with higher accuracy and greater spatiotemporal coverage. The generated reanalysis data serve as a foundational dataset for conducting oceanographic research and developing artificial intelligence-based large ocean models. This study reviews the technical approaches of ODR, the current status of global and regional ocean data reanalysis systems developed in the world, and puts forward recommendations for the development of China's ocean reanalysis system.


Frontiers In Ocean Non-Equilibrium Dynamics And Challenges In Operational Oceanography Application, Yuhong Zhang, Yan Du, Tianyu Wang, Minyang Wang, Qin Duan, Xinlong Li, Yuhang Zheng, Yifan Xia, Shilin Tang, Yineng Li, Jianping Yin Jan 2026

Frontiers In Ocean Non-Equilibrium Dynamics And Challenges In Operational Oceanography Application, Yuhong Zhang, Yan Du, Tianyu Wang, Minyang Wang, Qin Duan, Xinlong Li, Yuhang Zheng, Yifan Xia, Shilin Tang, Yineng Li, Jianping Yin

Bulletin of Chinese Academy of Sciences (Chinese Version)

Ocean circulation exhibits complex multiscale dynamics, among which non-equilibrium processes, marked by transient behavior, strong perturbations, and pronounced nonlinearity, are of particular importance for maritime environmental support. However, limited observational capability has long constrained the study of subsurface non-equilibrium dynamics, leaving numerical models insufficiently validated and positioning this issue at the forefront of modern physical oceanography. Artificial intelligence (AI) offers a promising pathway to overcome this bottleneck. Built on this concept, the “iEddy” AI large ocean model can efficiently reconstruct high-resolution, high-accuracy three-dimensional temperature, salinity, and velocity from sea-surface remote sensing data, demonstrating strong capability in capturing non-equilibrium ocean currents …


Satellite-Derived Bathymetry In Island Coastal Zones: Technology, Shilin Tang, Yuye Huang, Yongming Liu, Jianping Yin, Deke Chen, Ronggang Huang, Shuang Li Jan 2026

Satellite-Derived Bathymetry In Island Coastal Zones: Technology, Shilin Tang, Yuye Huang, Yongming Liu, Jianping Yin, Deke Chen, Ronggang Huang, Shuang Li

Bulletin of Chinese Academy of Sciences (Chinese Version)

Shallow bathymetry data constitute the core foundational information underpinning the ecological, resource, and strategic values of island and coastal zones. Satellite-derived bathymetry has evolved into a key technical means for large-scale acquisition of shallow bathymetry information. Focusing on satellite-based lidar bathymetry, optical imaging bathymetry, and synthetic aperture radar (SAR) bathymetry, this study systematically summarizes the core principles, applicable scenarios, technical strengths, and inherent limitations of each technology. It is shown that satellite-derived bathymetry has undergone an evolutionary shift from theoretical construction to practical application, and from single-method, single-data-source approaches to multi-technology, multi-source data fusion frameworks. In the future, to meet …


Innovative Applications And Development Paths Of Digital Earth Technology In Marine Environmental Support, Junyi Liu, Xiongfei Liu, Zongji Wang, Zhihong Zeng, Huiping Xie, Siye Liu Jan 2026

Innovative Applications And Development Paths Of Digital Earth Technology In Marine Environmental Support, Junyi Liu, Xiongfei Liu, Zongji Wang, Zhihong Zeng, Huiping Xie, Siye Liu

Bulletin of Chinese Academy of Sciences (Chinese Version)

The convergence of Digital Earth technologies and the field of marine environmental support represent a significant trend in global scientific and technological advancement. In response to the characteristics of marine environmental data such as sparsity, dynamic complexity, and multi-scale interdependence, and by integrating the evolution of international Digital Earth technology with China’s independent innovation practices, this study constructs three core methodological paradigms. The first is the element-integrated ontology, which proposes a hybrid representation paradigm of “spatiotemporal embedded field + ontology” to achieve integrated and dynamically evolving modeling of marine physical environments alongside geological, biological, chemical, and other multidimensional elements. The …


Transparent West-Pacific: Frontier Advances In Earth System Science, Lixin Wu, Jiwei Tian, Weidong Sun, Hailong Liu, Tianyu Chen, Zhimian Cao, Zhao Jing Jan 2026

Transparent West-Pacific: Frontier Advances In Earth System Science, Lixin Wu, Jiwei Tian, Weidong Sun, Hailong Liu, Tianyu Chen, Zhimian Cao, Zhao Jing

Bulletin of Chinese Academy of Sciences (Chinese Version)

The West-Pacific hosts a well-developed trench-arc-basin system characterized by intense fluid–solid interactions, making it an ideal region for studying multi-sphere interactions within the Earth system. Research on cross-sphere dynamic processes and material-energy cycles in the West-Pacific not only represents a core frontier in Earth System Science, but also crucial to addressing major strategic needs, such as global climate change response, sustainable use of marine resources, and protection of the deep-sea environment. This article highlights key advances achieved under the Major Program on West-Pacific Earth System Multispheric Interactions (WESPMI), in areas including multi-scale oceanic interactions, cross-sphere material exchange, plate subduction and …


Table Of Contents Jan 2026

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.


A Hybrid Cooling System Utilizing Active Air And Phase Change Material Polyethylene Glycol In A Lithium-Ion Battery Pack, Arieleus Taine Jan 2026

A Hybrid Cooling System Utilizing Active Air And Phase Change Material Polyethylene Glycol In A Lithium-Ion Battery Pack, Arieleus Taine

Journal of the South Carolina Academy of Science

Batteries have become one of the most important components of electronic devices. However, a large issue lies in overheating batteries, which decreases their performance and lifespan. Although cooling systems have been researched to combat this, the combination of phase change material polyethylene glycol (PEG) and fans has not been observed. The purpose of this study was to determine if a hybrid system consisting of PEG and air cooling would decrease temperatures compared to individual cooling systems such as just air cooling. It was hypothesized that the hybrid cooling system would have lower overall temperatures as compared to individual active and …


Ultrasonic Extraction-Based Analysis Of Persistent Organic Pollutants In Blubber From False Killer Whales, Michael O. Eze, Eva Borras, Mitchell M. Mccartney, Don R. Bergfelt, Kristi L. West, Sarah E. Hooper, Cristina E. Davis Jan 2026

Ultrasonic Extraction-Based Analysis Of Persistent Organic Pollutants In Blubber From False Killer Whales, Michael O. Eze, Eva Borras, Mitchell M. Mccartney, Don R. Bergfelt, Kristi L. West, Sarah E. Hooper, Cristina E. Davis

Chemistry Faculty Research & Creative Works

In view of the toxic effects of persistent organic pollutants (POPs), fast and effective assessment of their concentrations in marine mammals is important for understanding individual and population-level health impacts. This study developed an ultrasonic-based method that is less time-consuming, uses minimal solvent, and thus is more sustainable than the gold standard Soxhlet method for accurate analysis of organochlorine pesticides (OCs), polychlorinated biphenyls (PCBs), and benzene hexachlorides (BHC) in false killer whale blubber. This method was developed by comparing concentrations of POPs obtained using the traditional Soxhlet and novel ultrasonic extraction methods using blubber from false killer whales (n = …


Modulation Of Hypothalamic–Limbic Circuits Regulating Appetite In Response To Health Lifestyle In Obese Adults, Nour Shakir Rezaieg, Muthanna M. Awad Jan 2026

Modulation Of Hypothalamic–Limbic Circuits Regulating Appetite In Response To Health Lifestyle In Obese Adults, Nour Shakir Rezaieg, Muthanna M. Awad

Karbala International Journal of Modern Science

Background: Overeating leads to obesity a low-grade inflammatory disease. In this context, aguati-related neuropeptide (AgRP) and ghrelin are pivotal players in appetite regulation, while chemerin is an adipose tissue-secreted adipokine that contributes to low-grade inflammation associated with obesity. Objective: This study used a healthy lifestyle program designed for each obese participant to identify diet-related neuro-hormonal changes in appetite regulation. Design, Setting, and Participants: This a longitudinal quasi-experimental controlled study was conducted from 1st December 2024, to 30th July 2025, at University of Anbar. The sample included 100 participants, 50 obese (weight between 100–140 kg) and 50 healthy participants …


Evaluation Of Mcf-7 Breast Cancer Cell Cytotoxic And Antioxidant Activities Of Peptide Fractions From Symbiotic Bacteria Of Jellyfish Catostylus Sp., Eka Sry Wahyuni, Ahyar Ahmad, Muhammad Nasrum Massi, Sofa Fajriah, Randi Rimpung, Muh. Akbar Ardiputra, Harningsih Karim, Irda Handayani Jan 2026

Evaluation Of Mcf-7 Breast Cancer Cell Cytotoxic And Antioxidant Activities Of Peptide Fractions From Symbiotic Bacteria Of Jellyfish Catostylus Sp., Eka Sry Wahyuni, Ahyar Ahmad, Muhammad Nasrum Massi, Sofa Fajriah, Randi Rimpung, Muh. Akbar Ardiputra, Harningsih Karim, Irda Handayani

Karbala International Journal of Modern Science

Marine-derived symbiotic microorganisms are recognized as a promising source of bioactive compounds with potential therapeutic applications, yet research on jellyfish-associated bacteria remains limited. This study examines the bioactivity of peptide fractions derived from symbiotic bacteria isolated from the jellyfish Catostylus sp., collected from the coastal waters of South Sulawesi, Indonesia, with a focus on their anticancer and antioxidant properties. Following sample collection, the symbiont bacteria were isolated, enzymatically hydrolyzed, and purified before their biological activity was evaluated. Preliminary cytotoxicity screening using the brine shrimp lethality assay revealed that the extracellular peptide fraction (5–10 kDa) and intracellular peptide fraction (3–5 kDa) …


Chasing Disinfection Byproducts Through The Pipes: How 66 Dbps Change Over Time In Chlorinated Vs. Chloraminated Distribution Systems, Erik Niehaves, Patrick T. Justen, Ashley A. Perkins, Alexandria L.B. Forster, Caroline O. Granger, Susan D. Richardson Jan 2026

Chasing Disinfection Byproducts Through The Pipes: How 66 Dbps Change Over Time In Chlorinated Vs. Chloraminated Distribution Systems, Erik Niehaves, Patrick T. Justen, Ashley A. Perkins, Alexandria L.B. Forster, Caroline O. Granger, Susan D. Richardson

Faculty Publications

While disinfection byproducts (DBPs) are typically measured at drinking water treatment plants, levels can change dramatically within the distribution system before reaching the consumer. In this study, the spatio-temporal trends of 66 DBPs across 9 different classes were examined in two drinking water distribution systems with similar source waters, but different pretreatments and residual disinfectants. One system uses residual chlorine in the distribution system, and the other uses chloramine, allowing for examination of how DBP concentrations change over time in distribution systems with different residual disinfectants. Four routes were sampled for each system with six time points over three days …


Synergistic V2ctₓ Mxene–Pani Hybrid With Expanded Interlayers For Ultrastable And High-Rate Pseudocapacitive Energy Storage, Amideddin Nouralishahi, Maryam Sharifi Paroushi, Mansour Razavi, Amarachi Clare Nnachor, Harish Singh, Manashi Nath Jan 2026

Synergistic V2ctₓ Mxene–Pani Hybrid With Expanded Interlayers For Ultrastable And High-Rate Pseudocapacitive Energy Storage, Amideddin Nouralishahi, Maryam Sharifi Paroushi, Mansour Razavi, Amarachi Clare Nnachor, Harish Singh, Manashi Nath

Chemistry Faculty Research & Creative Works

Recently, MXene-conducting polymer hybrids have emerged as promising electrode materials for sustainable energy storage applications, owing to their impressive electrochemical properties. Herein, we report the synthesis of vanadium carbide MXene nanoparticles (V2CTx-MXene) using innovative Spark Plasma Sintering (SPS) technology followed by exfoliation steps. The V2CTx nanoparticles were incorporated with PANI (MXene-PANI) by electrochemical polymerization of aniline monomers in the presence of V2CTx nanolayers, to be used as a highly efficient material for charge storage application. PANI nanofibers form a conductive and porous architecture, which intercalates the V2CTx nanoflakes. The resulting structure increases the interlayer spacing …


Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz Jan 2026

Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz

LSU Doctoral Dissertations

Selective activation of C–O, C–H, and C–C bonds underpins biomass upgrading, alkane functionalization, and CO₂ conversion. Despite their importance, the electronic factors governing catalytic performance remain incompletely understood, and many industrial processes still rely on empirical trends or material-specific observations. This dissertation addresses this gap by applying density functional theory (DFT), thermodynamic decomposition, and electronic-structure analysis to identify unifying principles of reactivity across transition-metal phosphides, vanadate oxides, copper-based electrocatalysts, and mixed IrO₂–RuO₂ layers. This work examines how charge transfer, orbital localization, and ligand-induced perturbations control reaction pathways in diverse catalytic systems. C–O bond scission in 2-methyltetrahydrofuran (MTHF) and methanol was …


Design Of Nanomaterial-Based Sensors For Enhanced Halogen Bonding, Ben H. Edelman, Charles W. Sheppard, Lucas A. Chuidian, Arielle Vinnikov, Felix Bevc, Lillian B. Hughes, Carol A. Parish, Michael C. Leopold Jan 2026

Design Of Nanomaterial-Based Sensors For Enhanced Halogen Bonding, Ben H. Edelman, Charles W. Sheppard, Lucas A. Chuidian, Arielle Vinnikov, Felix Bevc, Lillian B. Hughes, Carol A. Parish, Michael C. Leopold

Chemistry Faculty Publications

Halogen bonding is a highly directional, noncovalent, intermolecular interaction which has been harnessed for a variety of applications, including sensor design. A halogen bond (XB) is formed between a region of positive electrostatic potential on a halogen atom (X) and electron rich portions of target molecules. The strength of XB interactions relies on shorter XB bond distances and more linear R–X···B bond angles, which facilitate stronger, more negative binding energies. While prior studies have sought to maximize interactions, few have explored or experimentally demonstrated how geometries and bond angles can enhance XB interactions. Herein, fundamental studies are conducted at self-assembled …


Interview With Orca Award Winner Reuben Rieke, Unl Chemistry; Discoverer Of Rieke Metals, Mark Griep, Reuben Rieke Jan 2026

Interview With Orca Award Winner Reuben Rieke, Unl Chemistry; Discoverer Of Rieke Metals, Mark Griep, Reuben Rieke

UNL ORCA Interview Series

Emeritus Prof. Reuben Rieke was awarded the ORCA in 1995. Reuben was born in Fairfax, Minnesota. Something in his youth must have sparked an interest in science because he traveled 100 miles east to The University of Minnesota where he earned a bachelor’s in chemistry. Next, he earned a doctorate from the University of Wisconsin, and did postdoctoral work at the University of California Los Angeles. In 1977, after about 11 years as a faculty member in the chemistry department at the University of North Carolina, he joined UNL as a full professor of chemistry. I’ll share two remarkable facts …


Optimized Photoemission From Organic Molecules In 2d Layered Halide Perovskites, Muhammad S. Muhammad, Dilruba A. Popy, Hamza Shoukat, John M. Lane, Neeraj Rai, Vojtěch Vaněček, Zdeněk Remeš, Romana Kučerková, Vladimir Babin, Chenjia Mi, Yitong Dong, Mark D. Smith, Novruz G. Akhmedov, Daniel T. Glatzhofer, Bayram Saparov Jan 2026

Optimized Photoemission From Organic Molecules In 2d Layered Halide Perovskites, Muhammad S. Muhammad, Dilruba A. Popy, Hamza Shoukat, John M. Lane, Neeraj Rai, Vojtěch Vaněček, Zdeněk Remeš, Romana Kučerková, Vladimir Babin, Chenjia Mi, Yitong Dong, Mark D. Smith, Novruz G. Akhmedov, Daniel T. Glatzhofer, Bayram Saparov

Faculty Publications

In recent years, hybrid organic–inorganic metal halides have been at the forefront of materials research. Typically, the functional (e.g., optoelectronic) properties of hybrid halides are derived from the inorganic structural part, whereas the organic structural units can add extra advantages in terms of stability, rigidity, and processability. Here, we report the design, synthesis, and characterization of two new hybrid materials in which the outstanding photophysical properties originate from the organic structural part. The new compounds, (C15H16N)2CdCl4 and((Br)C15H15N)2CdCl4, have 2D layered Ruddlesden–Popper-type perovskite structures. These hybrids are blue-white …


Contribution To The Chemotherapy Of Human Trypanosomiasis: Design, Synthesis, And Biological Evaluation Of Dimeric 2-Nitroimidazoles Against Trypanosoma Cruzi Amastigotes And Bloodstream Trypanosoma Brucei, Afonso Santine M.M. Velez, Otavio Augusto Chaves, Carlos Serpa, Fatma M. Salem, Bibo Li Ph.D., Bin Su Ph.D., Celio Geraldo Freire-De-Lima, Debra Decote-Ricardo, Marco Edilson Freire De Lima Jan 2026

Contribution To The Chemotherapy Of Human Trypanosomiasis: Design, Synthesis, And Biological Evaluation Of Dimeric 2-Nitroimidazoles Against Trypanosoma Cruzi Amastigotes And Bloodstream Trypanosoma Brucei, Afonso Santine M.M. Velez, Otavio Augusto Chaves, Carlos Serpa, Fatma M. Salem, Bibo Li Ph.D., Bin Su Ph.D., Celio Geraldo Freire-De-Lima, Debra Decote-Ricardo, Marco Edilson Freire De Lima

Biological, Geological, and Environmental Faculty Publications

Effective and safe treatments for neglected tropical diseases caused by parasites, such as Chagas disease and sleeping sickness, remain lacking, posing a significant challenge for researchers worldwide. The rational design of dimeric compounds inspired solely by the pharmacophoric core of benznidazole (2-nitroimidazole) has proven to be a promising strategy for antiparasitic development. Thus, in the present work, it was increased the linker between the active units (2-nitroimidazole) to improve the interaction with TcNTR, facilitating the bioactivation of the longest dimers. Biological assays confirmed this, demonstrating that all compounds were active against replicative intracellular amastigotes of Trypanosoma cruzi (Tulahuen C2C4-LacZ). Notably, …


Antibacterial Peptides From Soybean (Glycine Max (L.) Merr.) With In Silico Study Against Escherichia Coli Bacteria, Dian Riana Ningsih, Ely Setiawan, Purwati Purwati, Zusfahair Zusfahair, Anita Hindayanti Rukmana Jan 2026

Antibacterial Peptides From Soybean (Glycine Max (L.) Merr.) With In Silico Study Against Escherichia Coli Bacteria, Dian Riana Ningsih, Ely Setiawan, Purwati Purwati, Zusfahair Zusfahair, Anita Hindayanti Rukmana

Karbala International Journal of Modern Science

Bioactive peptides are produced from soy milk protein hydrolysis using trypsin. The research began with the preparation and separation of soy milk protein, followed by fractionation using ammonium sulphate, protein hydrolysis, and SDS-PAGE analysis of protein hydrolysates. Fractions exhibiting the highest degree of hydrolysis were further fractionated by SPE and tested to determine the antibacterial activity Staphylococcus aureus and Escherichia coli. The peptide sequence of the active peptide as an antibacterial was identified, employing LC-HRMS. The mode of action between active peptides and bacterial membran was analysed using molecular dynamics (MD) simulation. The findings displayed that F15 contained the highest …


Combinatorial Synthesis Of Protein-Polymer Conjugates By Post-Polymerization Modification Of Poly(Pentafluorophenyl Acrylate)S, Emily W. Kish, Thatcher M. Lee, Alexis M. Ziemba, Ama Boamah, Bianca Figueroa, Margherita Piccardi, Carey E. Dougan, Sarah J. Moore, Maren E. Buck Jan 2026

Combinatorial Synthesis Of Protein-Polymer Conjugates By Post-Polymerization Modification Of Poly(Pentafluorophenyl Acrylate)S, Emily W. Kish, Thatcher M. Lee, Alexis M. Ziemba, Ama Boamah, Bianca Figueroa, Margherita Piccardi, Carey E. Dougan, Sarah J. Moore, Maren E. Buck

Chemistry: Faculty Publications

Combinatorial methods for preparing polymeric biomaterials enable the rapid identification of materials useful for many applications in science, medicine, and engineering. In the work described here, we demonstrate that side-chain reactive polymers can be used as templates for the rapid preparation of a small library of diversely functionalized protein–polymer conjugates. The activated ester polymer poly(pentafluorophenyl acrylate) (PPFPA) was modified postpolymerization with substoichiometric equivalents of three hydrophilic primary amines to yield a library of amphiphilic, side-chain reactive copolymers. These copolymers were then conjugated to two receptor-targeting proteins, holotransferrin (hTF) and an engineered fibronectin-based protein (Fn3), through amine-activated ester coupling. We investigated …


Sperm-Associated Antigen 6 (Spag6) As A Potential Marker Of Sperm Function In Diagnosing Male Infertility, Ibtisam A. Al-Ali,, Kawkab A. Alsaadi Jan 2026

Sperm-Associated Antigen 6 (Spag6) As A Potential Marker Of Sperm Function In Diagnosing Male Infertility, Ibtisam A. Al-Ali,, Kawkab A. Alsaadi

Karbala International Journal of Modern Science

Background: While male infertility has become a significant global health concern, conventional analysis of semen has not made progress in the detection of contraindicated molecular biomarkers, such as sperm-associated antigen 6 (SPAG6), which is a protein involved in axonemal structure and flagellar motility.

Hypothesis: Expression of SPAG6 correlates with sperm motility and structural integrity. This means that its dysregulation may serve as a molecular indicator of impaired sperm performance.

Methods: A comprehensive review of recent studies was conducted with a focus on SPAG6’s molecular characteristics, expression patterns in normal versus abnormal spermatozoa, and the role it plays in motility-related …