Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- TÜBİTAK (1183)
- University of South Carolina (481)
- University of Nebraska - Lincoln (453)
- Missouri University of Science and Technology (425)
- Louisiana State University (415)
-
- Brigham Young University (396)
- Marquette University (349)
- Old Dominion University (328)
- Chulalongkorn University (304)
- University of Kentucky (302)
- City University of New York (CUNY) (288)
- Utah State University (281)
- Cleveland State University (272)
- University of New Mexico (267)
- Portland State University (258)
- Karbala International Journal of Modern Science (255)
- University of South Florida (244)
- University of Arkansas, Fayetteville (231)
- University of Texas Rio Grande Valley (212)
- Western Kentucky University (200)
- Chinese Chemical Society | Xiamen University (197)
- Chapman University (193)
- University at Albany, State University of New York (192)
- Wayne State University (185)
- Virginia Commonwealth University (181)
- University of Central Florida (178)
- University of Nevada, Las Vegas (176)
- The University of Southern Mississippi (175)
- Montclair State University (169)
- Western Michigan University (169)
- Keyword
-
- Chemistry (444)
- Synthesis (218)
- Nanoparticles (183)
- Mass spectrometry (182)
- Fluorescence (159)
-
- Pure sciences (140)
- Cancer (124)
- Department of Chemistry (122)
- NMR (104)
- Catalysis (103)
- 1 (101)
- Electrochemistry (98)
- Adsorption (93)
- 2 (81)
- Molecular dynamics (81)
- DNA (80)
- Spectroscopy (78)
- Biochemistry (77)
- Photochemistry (74)
- Kinetics (73)
- Copper (66)
- DFT (65)
- Cytotoxicity (64)
- Proteins (63)
- Mass Spectrometry (59)
- Proteomics (59)
- Drug delivery (58)
- RNA (58)
- Chemistry and Biochemistry (57)
- Oxidation (57)
- Publication Year
- Publication
-
- Turkish Journal of Chemistry (1183)
- Theses and Dissertations (827)
- Chemistry Faculty Publications (569)
- Electronic Theses and Dissertations (513)
- Faculty Publications (348)
-
- LSU Doctoral Dissertations (336)
- Dissertations (324)
- Chulalongkorn University Theses and Dissertations (Chula ETD) (304)
- Chemistry and Biochemistry Faculty Publications (300)
- Honors Theses (300)
- Chemistry Faculty Research & Creative Works (281)
- Chemistry and Chemical Biology ETDs (259)
- Karbala International Journal of Modern Science (255)
- USF Tampa Graduate Theses and Dissertations (222)
- Chemistry Faculty Research and Publications (219)
- Journal of Electrochemistry (197)
- Masters Theses (190)
- Legacy Theses & Dissertations (2009 - 2024) (162)
- Chemistry Faculty Publications and Presentations (161)
- Wayne State University Dissertations (154)
- Dissertations, Theses, and Capstone Projects (148)
- Department of Chemistry: Faculty Publications (147)
- Chemistry & Biochemistry Faculty Publications (144)
- Masters Theses & Specialist Projects (136)
- Open Access Theses & Dissertations (125)
- Dissertations and Theses (120)
- Journal of the South Carolina Academy of Science (120)
- Biology, Chemistry, and Environmental Sciences Faculty Articles and Research (114)
- Master's Theses (113)
- School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry) (113)
- Publication Type
- File Type
Articles 271 - 300 of 15524
Full-Text Articles in Entire DC Network
Boronate Esters For The Binding And Detection Of Low Molecular Weight Volatile Amines, Xiaoning Li, James Boyt, Steven Sloope, Luke T. Lackovic, Mark D. Smith, James J. Lavingne
Boronate Esters For The Binding And Detection Of Low Molecular Weight Volatile Amines, Xiaoning Li, James Boyt, Steven Sloope, Luke T. Lackovic, Mark D. Smith, James J. Lavingne
Faculty Publications
Conjugated thiophene-based diboronate esters, 1–4, were synthesized to investigate how substituents on catechol alter the Lewis acidity and accessibility to boron, and influence binding interactions with low molecular weight Lewis basic amines. Crystallographic analysis indicated that both boron centres bind analyte and that Lewis base coordination induces deplanarization of the conjugated system. Spectroscopic studies demonstrate that amine binding disrupts conjugation, producing distinct and reproducible optical responses that depend on analyte basicity and structure, with association constants in organic solvent ranging from 103 to 106 M−1. Quantitative binding analyses indicate strong negative cooperativity between the two boron …
Lc-Ms/Ms Method Development For The Analysis Of Cannabinoids In Wastewater, Abigail M. Castellanos, Ava La Lande
Lc-Ms/Ms Method Development For The Analysis Of Cannabinoids In Wastewater, Abigail M. Castellanos, Ava La Lande
The Kean Review: Journal in Student Research
The goal of this research was to establish a reliable method to detect the presence of cannabinoids in wastewater and increase the sensitivity of detection. Since the legalization of cannabis in many states, toxicology research has expanded on methods of detection in hopes of identifying usage patterns. At the Joint Meeting of Essex and Union Counties, it was established that cannabinoids are not thoroughly accounted for in the process of filtering wastewater in addition to our limited understanding of consumption trends. This stands true for many wastewater facilities, especially as the intake of cannabis remains prevalent for various populations across …
Impact Of Iron-Bearing Fillers On The Mechanical Strength And Chemical Stability Of Magnesium Potassium Phosphate Matrices Incorporating Rhenium, Sergey Sayenko, Volodymyr Shkuropatenko, Hans Conrad Zur Loye, Petr Vecernik, Monika Kiselova, Vlastislav Kašpar, Vlastimil Miller, Petr Bezdicka, Jan Šubrt, Petra Ecorchard, Natalija Murafa, Iva Milisavljevic, Scott T. Misture
Impact Of Iron-Bearing Fillers On The Mechanical Strength And Chemical Stability Of Magnesium Potassium Phosphate Matrices Incorporating Rhenium, Sergey Sayenko, Volodymyr Shkuropatenko, Hans Conrad Zur Loye, Petr Vecernik, Monika Kiselova, Vlastislav Kašpar, Vlastimil Miller, Petr Bezdicka, Jan Šubrt, Petra Ecorchard, Natalija Murafa, Iva Milisavljevic, Scott T. Misture
Faculty Publications
We report on the study of the immobilization process of non-radioactive rhenium (Re), a chemical analogue of technetium-99 (99Tc), in compounds based on magnesium potassium phosphate (MKP), as well as the possibility of enhancing their properties with iron-bearing additives/fillers. Powdered Re2O7 was used as the initial Re-containing source. Because of the solubility and high leachability of Tc (VII), which is also volatile at high temperatures, its immobilization for long-term storage and disposal poses a serious challenge to researchers. Taking this into account, low-temperature stabilization technology based on MKP, a cementitious material, is currently considered promising. We prepared experimental …
Monosaccharide Binding To Synthetic Carbohydrate Receptor Microarrays, Milan A. Shlain
Monosaccharide Binding To Synthetic Carbohydrate Receptor Microarrays, Milan A. Shlain
Dissertations, Theses, and Capstone Projects
Chapter 1: A glycan detection platform comprised of synthetic carbohydrate receptors (SCRs) immobilized onto polymer brushes was prepared. SCR043, an alkene-containing SCR, was incorporated into grafted-from polymer brushes using hypersurface photolithography, resulting in microarrays of SCR043-functionalized polymer brushes, where brush height (h) and SCR grafting density (Γ) is controlled precisely at each feature in the array. The influence of h and Γ on the binding to five fluorescently labelled monosaccharides – α-glucose (α-Gluc-FL), α-galactose (α-Gal-FL), α-mannose (α-Man-FL), β-glucose (β-Gluc-FL), and β-galactose (β-Gal-FL) – in aqueous buffer …
Mechanistic Studies Of Aerobic Photochemistry: Gold Nanoclusters, Nanoparticles, And Solution-Phase Systems, Serah Essang
Mechanistic Studies Of Aerobic Photochemistry: Gold Nanoclusters, Nanoparticles, And Solution-Phase Systems, Serah Essang
Dissertations, Theses, and Capstone Projects
This thesis comprises five chapters as enumerated below.
Chapter 1 describes our findings on the reactions of Au glutathione nanocluster (Au20SG16) with singlet oxygen (1O2) in D2O. We noticed it underwent a self-photooxidation reaction. Leading us to mechanistic studies using photophysical, photochemical, theoretical, and indirect trapping methods. We found rapid total quenching of singlet oxygen (1O2) by ground-state Au20(SG)16, with evidence for dioxygen insertion into the nanocluster. Supported by analyses with IR, ESI-MS, and density functional theory, we propose the formation of …
Development Of Novel Anti-Cancer Colchicine Analogs: Synthesis And Configurational Studies, Orugbani S. Eli
Development Of Novel Anti-Cancer Colchicine Analogs: Synthesis And Configurational Studies, Orugbani S. Eli
Dissertations, Theses, and Capstone Projects
Colchicine, a naturally occurring alkaloid, has long been known as a potent therapeutic agent. Despite its efficacy treating gout and other inflammatory disorders, its severe toxicity, limited selectivity, and poor pharmacological profile have restricted its broader clinical application. Reported advantages of colchicine-site ligands as vascular-disrupting agents, including reduced susceptibility to multidrug resistance, have revived interest in the colchicine site on tubulin as a validated therapeutic target for cancer. This dissertation focuses on the development of new colchicine analogs, detailing the synthetic method to functionalized AC-ring derivatives, as well as the evaluation of their configurational stability and biological activity.
In Chapter …
Potent, Selective Pyrrolopyrimidine Pde11a4 Inhibitors With Improved Pharmaceutical Properties, Shams Ul Mahmood, Rama Krishna Boddu, Jeremy Eberhard, Charles S. Hoffman, John Gordon, Dennis Colussi, Wayne Childers, Elvis Amurrio, Marie Danaher, Michy P. Kelly, David P. Rotella
Potent, Selective Pyrrolopyrimidine Pde11a4 Inhibitors With Improved Pharmaceutical Properties, Shams Ul Mahmood, Rama Krishna Boddu, Jeremy Eberhard, Charles S. Hoffman, John Gordon, Dennis Colussi, Wayne Childers, Elvis Amurrio, Marie Danaher, Michy P. Kelly, David P. Rotella
Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works
Previous work demonstrated target engagement with an orally bioavailable, potent, selective PDE11A4 inhibitor in the mouse hypothalamus. This compound was limited by low aqueous solubility, stimulating the need for alternative leads with improved pharmaceutical properties to carry out efficacy studies. This paper outlines optimization of a pyrrolopyrimidine hit leading to a potent, selective PDE11A4 inhibitor with improved pharmaceutical properties and promising activity in cell-based models of enzyme activity.
Iron-Involved Orr Electrocatalysts Under The Lens Of In-Situ/Operando Mössbauer Spectroscopy, Sumbal Farid, Jun-Hu Wang
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 …
Characterization Of Ru(Ii) Polypyridyl Photosensitizers Bound To Tio2 Supports Through A New Covalent Metal-Ester Bonding Motif, D. M. S. C. Dissanayake, Christopher T. Lebarron, Laura C. Maybach, Joseph J. Kuchta Iii, Seyyedamirhossein Hosseini, Aaron K. Vannucci
Characterization Of Ru(Ii) Polypyridyl Photosensitizers Bound To Tio2 Supports Through A New Covalent Metal-Ester Bonding Motif, D. M. S. C. Dissanayake, Christopher T. Lebarron, Laura C. Maybach, Joseph J. Kuchta Iii, Seyyedamirhossein Hosseini, Aaron K. Vannucci
Faculty Publications
The development of photoelectrochemical (PEC) devices involves the attachment of molecular photosensitizers onto solid supports. Particularly significant to this work are PECs that rely on ruthenium-based photosensitizers on high band gap metal oxide (MOx) supports. In this study, we have explored a new ester binding motif (MOx-ester) to covalently attach a ruthenium polypyridyl photosensitizer to TiO2. This new MOx-ester photoanode is compared to the traditional photoanodes that utilize acid/base binding groups to attach the molecular Ru sensitizers to TiO2. The new MOx-ester binding motif is characterized by cyclic voltammetry UV-Vis, solid state 13C NMR, and …
From Latent Manifolds To Targeted Molecular Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework For Family-Based Kinase Ligand Design, Gennady M. Verkhivker, Ryan Kassab, Keerthi Krishnan
From Latent Manifolds To Targeted Molecular Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework For Family-Based Kinase Ligand Design, Gennady M. Verkhivker, Ryan Kassab, Keerthi Krishnan
Mathematics, Physics, and Computer Science Faculty Articles and Research
Scaffold-aware artificial intelligence (AI) models enable systematic exploration of chemical space conditioned on protein-interacting ligands, yet the representational principles governing their behavior remain poorly understood. The computational representation of structurally complex kinase small molecules remains a formidable challenge due to the high conservation of ATP active site architecture across the kinome and the topological complexity of structural scaffolds in current generative AI frameworks. In this study, we present a diagnostic, modular and chemistry-first generative framework for design of targeted SRC kinase ligands by integrating ChemVAE-based latent space modeling, a chemically interpretable structural similarity metric (Kinase Likelihood Score), Bayesian optimization, and …
Development Of Salinomycin Analogs As Potential Anti-Cancer Agents, Pavan Goud Juluri
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
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
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. …
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
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
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
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
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
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
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
Journal of the South Carolina Academy of Science
No abstract provided.
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
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
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
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
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 …
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
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 …
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
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
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
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
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
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 …