Chemistry Commons^™

A Calibrated And Conformal Deep Learning Framework For Trustworthy Antinuclear Antibody Pattern Recognition With Selective Referral To Experts, Hussein Ali Hussein Al Naffakh, Ahmed Dheyaa Radhi, Raghdah Maytham Hameed, Muntaha Abdullah Reishaan, Fouad A. Majeed, Rozaida Ghazali

Karbala International Journal of Modern Science

Reading antinuclear antibody patterns on human epithelial cells by indirect immunofluorescence is the reference screen for systemic autoimmune rheumatic diseases, but it is slow, subjective, and variable between observers. Deep learning reaches high accuracy on this task, yet most systems return a single prediction without stating how reliable it is, which is unsafe in a diagnostic workflow. This paper presents an intelligent decision support framework built around a single calibrated uncertainty signal. That signal is the control variable for four reliability modules: confidence calibration, conformal prediction, error detection, and selective referral. A feature space out of distribution detector serves as …

Gc-Ms Profiling And Antibacterial Activity Of Cold-Macerated Garlic Extracts Against Multidrug-Resistant Uropathogens, Fatima A. Khalaf, Saeed A. Fayadh

Karbala International Journal of Modern Science

The growing number of cases of multidrug-resistant (MDR) urinary tract infections has made the clinical management of urinary tract diseases a significant challenge; therefore, the need for effective adjunctive therapies cannot be overemphasized. This study evaluated the bioactive components and antibacterial efficacy of cold-macerated garlic extracts obtained using distilled water, 70% ethanol and hexane solvents against antimicrobial-resistant urinary isolates. Out of 250 urine samples that were analyzed, 124 (49.6%) showed significant microbial growth, with Escherichia coli being the most frequently isolated organism. The results of the phytochemical screening and Gas Chromatography-Mass Spectrometry (GC-MS) analysis showed that the ethanolic extract had …

Waste Streams From Next Generation Molten Salt Reactors: The Challenge Of Creating An Insoluble Ceramic For Chloride Salt Waste, Alevtina A. Maksimova, Jake W. Amoroso, Matthew Page, Gregory Morrison, Hans Conrad Zur Loye

Faculty Publications

Molten salt reactors (MSRs) design development is of interest to many research groups and companies. Waste management for MSRs is one of the most important issues that needs to be resolved due to its impact on environmental safety, primarily via the dissolution of radionuclides in water. Furthermore, the waste treatment strategy will have a significant influence on the operating cost of MSRs, which is why a reliable process for the immobilization, transportation, storage and disposal of MSR waste must be addressed. This work presents a new approach for the immobilization of chloride salts from molten salt reactors in stable oxyhalide …

Development Of Ultrafast Protein Digestion And Standards Free Quantitation Methods For Mass Spectrometric Analysis, Praneeth Ivan Joel Fnu

Dissertations

A wide variety of biologically important molecules, such as enzymes, antibodies, hormones, transporters and receptors are proteins by composition and they play key roles in biological functions such as cellular regulation, communication, metabolism and physiological function. Protein dysfunctions and abnormalities are associated with numerous diseases, making proteins critical targets for understanding disease mechanisms and developing therapeutic interventions. Protein-based therapeutics such as monoclonal antibodies, hormones and vaccines gained popularity due to their high specificity, efficacy, and ability to treat complex diseases that are often difficult to address with small-molecule drugs.

Given the important role of proteins in a variety of biological …

Enhanced Osseointegration Of Functionally Graded Co˗Cr˗Mo˗Ti/Ha Implants: In Vitro And In Vivo Study In A Rabbit Model, Afrah M. Al Hussainey, Randa Kamel Hussain, Aseel Mustafa Abdul Majeed

Karbala International Journal of Modern Science

    The present investigation aims to evaluate the effects of acid and laser surface treatments on the surface characteristics, biocompatibility, and osseointegration of functionally graded implants fabricated from a Co–Cr–Mo–Ti/HA alloy. The implant surfaces were modified using either an Nd: YAG laser or hydrochloric acid (HCl), while untreated implants served as controls. Atomic force microscopy (AFM) showed that the acid-treated surface exhibited the highest mean surface roughness (Sa) of 58.10 ± 0.24 nm compared to the laser-treated surface (42.64 ± 0.83 nm) and the untreated surface (37.73 ± 0.89 nm). The MTT assay also demonstrated a favourable cellular response on the …

Synthesis, Utilization And Biological Evaluation Of Β-Hairpin Peptides As Inhibitors Of Immune Checkpoints, Sarah Naylon

Electronic Theses and Dissertations

Peptide therapeutics have emerged as promising alternatives to monoclonal antibodies because of their smaller size, improved tissue penetration, and synthetic versatility. Yet their broader application is often limited by poor structural stability, rapid clearance, and reduced target residence times. This dissertation describes the design, synthesis, structural characterization, and biological evaluation of β-hairpin peptides as inhibitors of immune checkpoints and as peptide vaccine scaffolds while developing strategies to overcome these limitations. At first a series of antibody-derived β-hairpin peptides (mimics of complementary determining region heavy-chain 3: CDR-H3s) as covalent inhibitors of the PD-1/PD-L1 immune checkpoint were investigated. Electrophilic warheads were incorporated …

Palmnet: Confidence-Calibrated Edge-Cloud Ai For Field Diagnosis Of Date Palm Diseases, Muntadher Kareem, Raed Majeed

Karbala International Journal of Modern Science

Date palm (Phoenix dactylifera L.) is a cornerstone crop for Iraq and the wider MENA region, yet reliable in-field diagnosis of leaf disorders remains slow, labour-intensive, and constrained by a limited pool of agronomists. This paper presents PalmNet, a full-stack diagnostic system that classifies nine leaf conditions through a calibrated edge-cloud framework. The system is developed and evaluated on a public dataset of 3,089 field images spanning the nine classes, using a 70/15/15 stratified split. A ShuffleNetV2 student network, distilled from a ConvNeXt-Tiny teacher, is deployed on two complementary edge endpoints: a Raspberry Pi Zero 2 W field station …

Adaptive Phishing Url Detection Using Hybrid Fuzzy C-Means Clustering And Xgboost, Muntadher Mohammed Kareem, Rawaa I. Farhan

Karbala International Journal of Modern Science

Phishing attacks continue to evolve in sophistication, rendering static detection methods increasingly ineffective. Existing URL-based approaches suffer from limited adaptability to emerging phishing patterns, mislabeled training data, and insufficient validation protocols. This paper proposes a hybrid phishing URL detection system that integrates Fuzzy C-Means (FCM) clustering with XGBoost classification, enhanced by a novel Micro Adaptive Feature Extractor (MAFE). The system employs a multi-stage pipeline: feature engineering generating 36 statistical and interaction features, MAFE producing 15 adaptive features through class-aware dynamic weighting, micro-pattern detection, and entropy analysis, and FCM with K=2 clusters providing soft membership features to XGBoost. A two-pass confidence-based …

Crystal Structure Of New Polar Rare Earth Borates Na2.62Ln2.12(Bo3)3 (Ln = Pr, Nd, Sm) Containing Isolated Bo3 Groups, Alevtina A. Maksimova, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

Three new rare earth borates, Na2.62Ln2.12(BO3)3 (Ln = Pr, Nd, Sm), were synthesized via a high-temperature solution reaction using a BaCO3–H3BO3–NaF flux and structurally characterized by single-crystal X-ray diffraction analysis. The compounds crystallize in the orthorhombic space group Amm2 with lattice parameters a = 5.0985(10) Å, b = 11.180(2) Å, c = 7.1483(14) Å, and a unit cell volume of 407.48(14) ų (Z = 2) for Na2.62Pr2.12(BO3)3, a = 5.0983(10) Å, b = 11.181(2) Å, c = 7.1491(14) Å, and a unit cell volume of 407.51(14) ų (Z = 2) for Na2.62Nd2.12(BO3)3, and a = 5.08630(10) Å, b …

Single Crystal Growth Of The Orthoborate Nabalu(Bo3)2 And Optical Investigation Of Eu3+ And Tb3+ Doped Nabalu(Bo3)2, Alevtina A. Maksimova, Mark D. Smith, Lakshani W. Masachchi, Hans Conrad Zur Loye

Faculty Publications

Sodium barium lutetium borate NaBaLu(BO₃)₂ crystals were synthesized using a high-temperature solution method. The crystal structure of this layered orthoborate is described and corresponds to that of an extensive orthoborates family, NaBaR(BO₃)₂ (R = Sc, Y, Yb, Tb – Lu). NaBaLu(BO₃)₂ was doped by Eu³⁺ and Tb³⁺ to explore its performance as a host material and to investigate the luminescent properties of the Eu³⁺ and Tb³⁺ doped materials. The emission spectra of the NaBaLu(BO₃)₂:Ln (Ln = Eu, Tb) crystals are presented. The most …

Phytochemical Analysis And Safety Assessment Of Watercress Nasturtium Officinale: Antioxidant Capacity, Heavy Metal Profiling, And Toxicity Using Brine Shrimp Model, Qurrota A’Yunin, Chamini Kasun Hemachandra, Muhaimin Rifa’I, Yoga Dwi Jatmiko, Maftuch Maftuch, Rizky Fadilla Agustin Rangkuti, Cucun Herlina, Zulfa Mahdiatur Rasyida, Moh Dliyauddin

Karbala International Journal of Modern Science

Medicinal plants have attracted growing attention as sources of natural bioactive compounds for sustainable aquaculture and health. This study evaluated the phytochemical composition, antioxidant activity, heavy metal profile, and acute toxicity of watercress (Nasturtium officinale W.T. Aiton) methanol extract using maceration, qualitative and quantitative (TPC, TFC, antioxidant DPPH) phytochemical assay, XRF, and BSLA. Phytochemical screening of plant extracts showed the existence of flavonoids, alkaloids, phenols, tannins, triterpenoids, and saponins, but not steroidal. The TPC and TFC were 20.6 mg GAE/g and 10.8 mg QE/g, respectively. The extract displayed significant antioxidant activity (IC₅₀ = 64.78 µg/mL in DPPH assay). …

Ionophore-Based Plga Nanosensor For Selective Ion Detection And Imaging, Zhiyu Tang

Electronic Theses and Dissertations

Accurate detection of electrolyte ions is essential for biological research, disease diagnosis, and the investigation of cellular function. In this study, we developed ionophore-based PLGA nanosensors for the optical detection of biologically important ions. The nanosensors were prepared by encapsulating ionophores, chromoionophore III, and ion exchangers within PLGA nanoparticles. The resulting nanosensors showed uniform morphology, good colloidal stability, and concentration-dependent optical responses toward Na⁺, K⁺, and Ca²⁺ over the range of 10⁻⁶ to 10⁻¹ M. Reversible fluorescence responses under repeated ion concentration changes confirmed the stability and robustness of the sensors. The nanosensors also demonstrated reliable analytical performance for K⁺ …

Cytotoxicity Of Bioactive Peptides From Cowpea (Vigna Unguiculata L. Walp) Against Breast Cancer Cells (Mcf-7), Dian R. Ningsih, Zusfahair Zusfahair, Ely Setiawan, Purwati Purwati, Kasta Gurning, Fitri A. Puspita Sari, Elya Widiawati

Karbala International Journal of Modern Science

Cancer is characterized by dysregulated metabolic signaling pathways, leading to uncontrolled cellular proliferation. Current cancer treatments, which involve surgery, radiotherapy, and chemotherapy, still cause adverse systemic toxicities. Accordingly, one possible effort that can be undertaken is to explore safe anticancer substances from protein sources such as peptides. Bioactive peptides can be isolated by hydrolyzing cowpea (Vigna unguiculata L. Walp) protein with trypsin. The objectives of this study were to isolate and fractionate bioactive peptides from cowpea, to determine the anticancer activity of peptide fractions, to identify active peptide fractions as anticancer agents using Liquid Chromatography High Resolution Mass Spectrometry …

Exogenous Ribosome Incorporation Induces Lineage Transdifferentiation In Intestinal And Liver Cancer Cells, Haoxuan Gu, Nadia Wahyuningsih, Keisuke Yamashita, Shota Inoue, Fuchao Tan, Mani Sharaki, Muhaimin Rifa’I, Kunimasa Ohta

Karbala International Journal of Modern Science

It has previously been shown that exogenous bacterial ribosomes added to somatic cells and various cancer cell lines generate ribosome-induced cell clusters (RICs) capable of transdifferentiating into multiple cellular lineages. However, the scope of ribosome-induced transdifferentiation in cancer cells remains poorly understood. This study aimed to analyze the effects of exogenous ribosome incorporation on human cancer cell lines, specifically the intestinal epithelial cell line Caco-2 and the hepatocellular carcinoma cell line HepG2. Caco-2 and HepG2 cells were cultured with purified bacterial ribosomes in human ES/iPS cell medium after trypsinization, resulting in the formation of ribosome-induced Caco-2 (RICs-Ca) and HepG2 (RICs-He) …

Selenoprotein P And Selenium As Potential Diagnostic Biomarkers For Breast Cancer Patients, Farah A. Rashid, Rawaa A. Ali, Hanaa A. Ali

Karbala International Journal of Modern Science

Breast cancer incidence increases in last decade. Oxidative stress increases during cancer development causes consuming of antioxidants. Selenium and its transporting protein, selenoprotein P have an important role in redox homeostasis. This study aims to investigate whether or not selenium and selenoprotein P could be diagnostic biomarkers for breast cancer patients. This study was included 30 individuals in control group who is age- and BMI-matched with 60 breast cancer patients. Selenium was measured by colorimetric assay kit and selenoprotein P was determined by Sandwich ELISA kits. The results indicate significant decrease (p < 0.0001) of serum selenium and selenoprotein P in breast cancer patients compared to control. A positive significant correlation (r = 0.6214, p < 0.0001) was found between selenium and selenoprotein P in breast cancer patients. Selenium has an excellent diagnostic accuracy with area under curve 0.9831, sensitivity 95% and specificity 100% at cut-off less than 3.54 mmol/L. Furthermore, selenoprotein P has also an excellent area under curve 0.9958 with sensitivity 96.77% and specificity 100% at cut-off less than 4.15 ng/ml. These exploratory findings appear that selenium and selenoprotein P could be potential diagnostic biomarkers for breast cancer patients. Further investigations in large-multicenter populations are needed to confirm results.

Tapping Into The Ocean’S Hidden Energy: Feasibility Of A 5 Mw Otec Installation In North Bali, Widodo Setiyo Pranowo, Yani Permanawati, Gisela Malya Asoka Anindita, Agung Kurniawan, Albertus Sulaiman, Johar Setiyadi, Safri Burhanuddin, Ivonne Milichristi Radjawane, Hansan Park, Endro Sigit Kurniawan

Karbala International Journal of Modern Science

Indonesia is an archipelagic country surrounded by water and faces energy challenges due to the low use of renewable energy. Among the potential renewable options, marine energy is a particularly suitable resource given the country’s geographical nature. Based on this discussion, seawater temperature can be used as an alternative ocean thermal en-ergy known as ocean thermal energy conversion (OTEC) by using the difference in sea surface and deep-sea water temperatures. Therefore, this study aimed to examine OTEC installations in North Bali waters using closed-cycle OTEC calculations for a 5 MW system. Following this objective, we examined the water conditions by …

Deciphering The Potential Of Monopterus Albus Protein Hydrolysate As A Therapeutic Candidate Against Cervical Cancer By Integrating Content Analysis, Network Pharmacology, And Molecular Docking, Okid Parama Astirin, Widya Mega Rahmawati, Elisa Herawati, Tetri Widiyani, Lili Pandan Sari, Sherly Octaviana

Karbala International Journal of Modern Science

Cervical cancer has a high incidence rate in women, making the development of cancer drugs increasingly urgent. Asian swamp eel protein hydrolysate shows great promise as an anticancer candidate. This study aimed to reveal the potential of Asian swamp eel protein hydrolysate as an anticancer candidate in the cervix. Asian swamp eel protein hydrolysate was produced by hydrolyzing flesh with the enzyme alcalase. Compounds and peptides were identified using LC-HRMS. These compounds and peptides were analyzed using network pharmacology, gene ontology, and molecular docking. The results identified 153 endogenous compounds, including fatty acids and peptides. The key proteins targeted by …

Real-Time Image Denoising And Reconstruction Using Generative Adversarial Networks (Gans), Roa'a M. Al_Airaji, Haider Th. Salim Alrikabi, Rula Kamil, Svyd Iryna

Karbala International Journal of Modern Science

This paper presents a real-time image denoising and reconstruction system based on a compact Generative Adversarial Network (GAN) designed for embedded systems and edge computing. The proposed model employs a [ generator and a PatchGAN discriminator, trained using hybrid loss function that combines L1, perceptual, and adversarial terms to balance pixel and perceptual realism. Evaluations were conducted on multiple datasets, including DIV2K, BSD68, SIDD, DND, RENOIR, and PolyU at noise levels (σ = 15, 25, 50). Quantitatively, the proposed model achieves an average PSNR of 32.8 dB and an SSIM of 0.88, which is higher by more than 3 dB …

Recent Advances In Phosphatidylinositol Phosphate Kinases (Pipks) And Their Inhibitors, Mengxia Sun, Jian Hu, Xuefei Huang

BAU Journal - Science and Technology

Phosphatidylinositol phosphate kinases (PIPKs) are an important class of enzymes in humans, which produce lipid signaling molecules playing central roles in pathogenesis of diseases such as cancer, neurodegenerative diseases, and viral infection. Consequently, they are attracting increasing attention as drug targets for disease treatment. This review summarizes the functions of the PIPK family enzymes and highlights recent efforts on designing novel inhibitors against PIPKs. These advances are extensively discussed to stimulate interest in this field and promote further development of highly potent and selective inhibitors for innovative therapeutic applications.

Principal Leadership As A Predictor Of Teacher Performance: Evidence From An Indonesian Elementary School, Irminapinem Pinem, Antonius Remigius Abi, Hamela Sari Sitompul

Jurnal Pendidikan Sains

Teacher performance is a critical determinant of educational quality and student achievement, making the identification of factors that influence teacher effectiveness an important area of educational research. Among these factors, principal leadership has been recognized as a key organizational variable that shapes teachers’ professional practices and instructional performance. This study aimed to examine the relationship between principal leadership and teacher performance at State Elementary School Raya Kahean, Simalungun Regency, Indonesia. The study employed a quantitative correlational research design involving 52 teachers selected through total sampling. Data were collected using two structured questionnaires measuring principal leadership and teacher performance. The principal …

Comparing The Effects Of Project-Based Learning, Inquiry Learning, And Conventional Instruction On Students' Learning Motivation In Biology, Yeyen Angraini, Irwandi Irwandi, Jayanti Syahfitri

Jurnal Pendidikan Sains

Learning motivation is an important factor influencing students’ engagement, persistence, and success in Biology learning. However, classroom instruction at the senior high school level is often dominated by teacher-centered approaches, which may limit students’ active participation and motivational development. This study aimed to compare students’ learning motivation across Project-Based Learning (PjBL), Inquiry Learning, and conventional instructional approaches in Biology learning. The study employed a quantitative quasi-experimental design with a pretest–posttest approach involving three groups. Participants consisted of 85 Grade XI students from SMA Negeri 1 Talang Padang, South Sumatra, distributed across three classes: PjBL (n = 28), Inquiry (n = …

Molecular Identification Of Cryptococcus Albidus Isolated From A Gingivitis Infection In A Male From Karbala City, Iraq, Maysaa Taqi Al-Khazali, Zahraa Raheem Murshidy, Sarah Kadhim Al-Rahimy, Sura Abd Ali Kadhim Mohammed, Dhuha Ali Hussein

Karbala International Journal of Modern Science

The current study presents a case of gingivitis caused by Cryptococcus albidus in a 35-year-old male from the city of Karbala in Iraq. This fungal species was identified via morphology, microscopy, additionally to the VITEK system. C. albidus was further confirmed using the polymerase chain reaction (PCR) technique by amplifying the 18S rRNA gene as a universal primer and sequencing. Sequences analysis revealed that this strain of C. albidus had not been previously documented in the NCBI database. Hence, the newly obtained sequences were submitted to the GenBank repository and assigned the accession number OQ975882.1, marking the first report of …

Main-Chain Ion-Pair Polybenzimidazole Membranes Enabling Reduced-Temperature Ht-Pemfc Operation (Down To 120°C), Brian C. Benicewicz, Huina Lin

Faculty Publications

Proton exchange membrane (PEM) fuel cells are promising for clean and efficient energy conversion across diverse applications. High-temperature PEM fuel cells (HT-PEMFCs) using phosphoric acid (PA)-doped polybenzimidazole (PBI) can operate up to 200°C, but at lower temperatures, water-induced PA loss often leads to performance degradation and reduced durability. In this work, we present a new class of main-chain ion-pair PBI membranes by integrating the imidazolium-biphosphate ion-pair units directly into the PBI backbone. This design results in membranes with high acid content, stronger acid-polymer interactions and stabilized acid retention. In single-cell tests, the Im+-PBI15-3 wt.% exhibits peak power densities of 0.79 …

The Effect Of Project-Based Learning Model On Entrepreneurship (Pjbl-E) With A Deep Learning Approach On Students' Problem-Solving And Cognitive Skills, Ricce Oktasari, Irwandi Irwandi, Siti Darwa Suryani

Jurnal Pendidikan Sains

This study aims to examine the effect of the Entrepreneurship-based Project Based Learning (PjBL-E) model integrated with a pedagogical Deep Learning approach on students’ problem-solving skills and cognitive learning outcomes in biology learning. The novelty of this study lies in the integration of entrepreneurship values and pedagogical deep learning principles into Project Based Learning to create contextual and meaningful learning experiences. Entrepreneurship integration encourages students to develop innovative products, identify real-world problems, and apply biological concepts in practical and socio-economic contexts. Meanwhile, the pedagogical Deep Learning approach promotes reflective thinking, conceptual understanding, critical analysis, and the ability to connect theory …

Student Worksheets Based On The Local Wisdom Of Besilek Serawai For Sixth-Grade Elementary Science Learning, Mice Agustin, Tomi Hidayat, Irwandi Irwandi

Jurnal Pendidikan Sains

This study aims to develop a Student Worksheet (Lembar Kerja Peserta Didik [LKPD]) based on the local wisdom of Besilek Serawai for sixth-grade elementary science education and to evaluate its validity. The study employed the ADDIE development model, consisting of five stages: Analyze, Design, Develop, Implement, and Evaluate. The developed LKPD integrates Besilek Serawai, a traditional martial art of the Seluma community, with the concept of the human locomotor system in science instruction. The worksheet was validated by two subject-matter experts and two media experts. Material validation yielded an average score of 4.26, equivalent to a validity percentage of 85.2%, …

Antioxidant Potential Of A Non-Heme Iron Complex: Mitigating H2O2-Induced Cellular Damage, Magy A. Mekhail, David M. Freire, Cameron Bowers, Grant Elam, Nora Del Bosque, Hannah K. Pyle, Sarah K. Dunn, Spencer Lanyon, Timothy J. Hubin, Giridhar Akkaraju, Kayla N. Green

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Iron complexes with antioxidant activity have garnered significant interest for both general and medical applications, yet few studies have yielded functional nonheme iron-based mimics for H₂O₂ mitigation in aqueous environments. Here, we investigate water-soluble nonheme iron complexes derived from 12-membered pyridinophanes (^CF₃PyN₃, PyN₃, ^NMe₂PyN₃, and Py₂N₂) to evaluate the impact of ligand scaffolds on H₂O₂ decomposition activity both in vitro and in a cellular model. Speciation and kinetic analyses reveal that both electronic and geometric modulation of the macrocyclic …

Allosteric And Uncompetitive Inhibition Of Yeast Alcohol Dehydrogenase Identified By Enzyme Kinetics, Dylan Jeremy Harrison, Jenny A. Cappuccio

IdeaFest: Interdisciplinary Journal of Creative Works and Research from Cal Poly Humboldt

Enzyme kinetics is a powerful technique used to quantify the rate at which an enzyme converts a substrate into a product and to identify potential inhibitors. In this study, kinetic analysis was employed to assess the activity of yeast alcohol dehydrogenase (YADH) in the presence and absence of sweeteners commonly found in alcoholic beverages. YADH catalyzes the oxidation of ethanol to acetaldehyde using NAD⁺ as a cofactor; the reduction to NADH can be monitored spectrophotometrically at 340 nm. Based on structural similarities to the ribose moiety of NAD⁺, it was hypothesized that sucrose and sucralose could directly interact with the …

Synthesis And Characterization Of Organometallic Polymers And Their Cytotoxicity Towards Human Cancer Cell Lines, Paul Peter Slawek

Electronic Theses and Dissertations

This research aimed to synthesize organometallic polymers from dialkyl (methyl, ethyl, butyl, cyclohexyl, and octyl) and diaryl (phenyl) tin dichlorides and three organic monomers, dipicolinic acid (DPA), chloramphenicol (CH), and isomannide (IS), using interfacial polymerization. Structure-activity relationships were investigated through physicochemical characterization (light-scattering photometry, proton NMR, and IR spectroscopy) and cytotoxicity was evaluated against six human cancer cell lines (AsPC-1, PANC-1, MCF-7, MDA-MB-231, HT-29, PC-3), with cisplatin serving as the reference standard.

Five DPA/tin polymers were synthesized, with IC₅₀ values in the range of 0.60–0.71 μg/mL. Their cytotoxicity was significantly lower than that of cisplatin (0.0023-0.044 μg/mL), suggesting that …

Synthesis And Characterization Of Synergistic Bioactive– Organometallic Condensation Polymers, Francesca Isabel Mosca

Electronic Theses and Dissertations

This research focuses on the synthesis and structural characterization of polymers with anticipated anticancer and antiviral properties by combining metal-containing Lewis acids, organotin dichlorides (R2SnCl2), Group 4 metallocene dichlorides (Cp2TiCl2, Cp2ZrCl2 and Cp2HfCl2), and triphenyl Group 15 metal dichlorides (Ph3AsCl2, Ph3SbCl2 and Ph3BiCl2), with biologically active Lewis bases, lamivudine, a synthetic nucleoside, and camphoric acid, a dicarboxylic acid, to achieve synergistic effect.

Five classes of polymers were synthesized using interfacial polymerization: lamivudine and organotin dichlorides, lamivudine and Group 4 metallocene dichlorides, camphoric acid and triphenyl Group 15 metal dichlorides, camphoric acid and organotin dichlorides, and camphoric acid and Group 4 …

Computational Insights Into Nucleosome Dynamics In Epigenetics Using Molecular Dynamics Simulations, Rutika Patel

Dissertations, Theses, and Capstone Projects

Nucleosome core particles (NCP) are the building blocks that form a highly organized and compact chromatin structure. Nucleosomes package DNA in the nucleus of eukaryotic cells. The NCP consists of about 147 base pairs of DNA wrapped around the histone octamer, with 1.65 superhelical turns in a left-handed manner. The histone octamer is composed of two copies of H3, H4, H2A, and H2B. Together with histone H1 and linker DNA, they further assemble into a higher-order chromatin structure. The nucleosome complex is stabilized by electrostatic interactions between positively charged histone residues and the negatively charged DNA backbone. To effectively access …