Life Sciences Commons^™

Robust Statistical Methods For Microbiome Abundance Data, Yiming Shi

WUSM Theses and Dissertations – All Programs

Differential abundance analysis in microbiome studies aims to identify taxa whose abundance differs across biological or clinical conditions. The observed data are typically taxon-specific sequencing read counts, representing reads assigned to different taxa within each sample. These counts are indirect measurements of the underlying microbial abundance profile and are constrained by sample-specific library sizes. Microbiome count data are also typically sparse, overdispersed, and heteroscedastic. Together, these characteristics create substantial challenges for differential abundance analysis and make the results highly sensitive to normalization procedures, model specification, and the statistical methods used for inference.

Normalization defines the scale on which samples are …

In-Hospital Mortality Patterns And Readmissions In Patients With Chronic Obstructive Pulmonary Disease: An Analysis Of The Role Of Pulmonary Hypertension, Saad Afzal Khan, Trishna Parikh, Adishwar Rao, Akriti Agrawal, Aarohi Parikh, Farah Kazzaz, Sarah Shin, Harry Karmouty-Quintana, Maulin Patel, Kha Dinh, Bela Patel, Bindu Akkanti

Faculty, Staff and Student Publications

Chronic obstructive pulmonary disease (COPD) may be complicated by pulmonary hypertension (PH). We aimed to understand the impact of PH on in-hospital mortality and quantify the 30-day readmission rate among patients with COPD. For this cross-sectional study, we used the Nationwide Readmissions Database from 2017-2020 to identify adults ≥18 years with COPD. Patients were stratified according to PH diagnosis. Baseline characteristics between groups were compared using the Pearson chi-square test and two-sample t-test. Predictors of in-hospital mortality were determined using multivariate logistic regression analysis adjusted for demographics and confounders. The 30-day readmission rate and prevalence of PH subgroups by baseline …

Bioinformatics-Driven Structural And Functional Characterization Of Caffeine Synthase (Ccs1), Asia Khalil, Muhammad Naveed, Raja Muhammad Ahmad, Sania Saeed, Ayesha Hameed, Ayman Iqbal, Fakhra Nazir

Journal of Bioresource Management

Caffeine synthase (CCS1; EC 2.1.1.160) is a S-adenosyl-L-methionine (SAM; S-adenosyl-L-methionine) dependent N-methyltransferase that executes the final methylation steps of caffeine biosynthesis in coffee, tea, and related plants. While paraxanthine can act as an efficient substrate, it contributes to a comparatively minor branch in the overall pathway. We conducted an integrated in silico analysis of CCS1, covering sequence retrieval, structure prediction, 3D modeling, and mutation assessment. Secondary structure was inferred using PSIPRED; physicochemical indices were computed via AA-PROP; 3D models were generated by I-TASSER and evaluated by Verify3D; and missense effects were prioritized using PolyPhen-2, PROVEAN, I-Mutant, and PhD-SNP. Taken together, …

Evaluation Of The Dhcr7/Nadsyn1 Rs4944946 Variant And Breast Cancer Susceptibility: A Case-Control Study In An Indonesian Cohort, Dian Tri Wahyudi, Rafika Indah Paramita, Sonar Soni Panigoro

Indonesian Journal of Medical Chemistry and Bioinformatics

Background: The rs4944946 variant, located in the 5’UTR of the DHCR7 gene and upstream of NADSYN1, is biologically implicated in vitamin D and cholesterol metabolism pathways closely linked to cancer pathogenesis. This study aimed to experimentally validate the association between the rs4944946 polymorphism and breast cancer susceptibility in an independent cohort of Indonesian women. Method: A case-control study was conducted involving 36 breast cancer patients and 39 healthy adult females. Genotyping of the rs4944946 variant was performed using Polymerase Chain Reaction-Restriction Fragment Length Polymorphism (PCR-RFLP). The genetic association was evaluated across codominant, dominant, and recessive models. Luminal B was the …

Network Pharmacology Of A Decaffeinated Green Coffee–Turmeric Combination: Potential Therapeutic Activity Against Hypertension And Diabetes Mellitus, Feri Eko Hermanto, Mohammad Saifur Rohman, Victor Alvianoes Guterez Hose, Mifetika Lukitasari, Dwi Adi Nugroho, Nashi Widodo, Inggita Kusumastuty

Makara Journal of Science

Decaffeinated green coffee and turmeric are recognized for their protective effects against hypertension (HTN) and diabetes mellitus (DM). Combining them into a functional drink, green coffee and turmeric (GCT), offers potential health benefits for managing these conditions. This study explored the bioactivity of GCT in HTN and DM through network biology, identifying intersecting protein targets and their roles in inflammation and glucose metabolism. Key proteins identified were AKT1, CCL2, CXCL8, IL-1β, and IL18. Molecular docking revealed that GCT compounds, particularly Cafestol, Chlorogenic Acid, Kahweol, Curcumin, and Desmethoxycurcumin, interacted strongly with AKT1 at its allosteric site, potentially inhibiting its activity. However, …

From Data To Medicine: A Milestone For Medical Chemistry And Bioinformatics In Indonesia, Fadilah Fadilah

Indonesian Journal of Medical Chemistry and Bioinformatics

Biomedical science is rapidly moving from data generation toward data-driven discovery and clinical translation. Genomics, epigenomics, transcriptomics, proteomics, metabolomics, and microbiomics now provide multiple perspectives on human biology, while bioinformatics, artificial intelligence, and molecular modelling enable these complex datasets to be interpreted. The challenge is no longer simply to generate data, but to transform data into knowledge and knowledge into better medicine. This transition is particularly important for Indonesia, where genetic, environmental, microbial, and biological diversity creates both a challenge and an opportunity for population-relevant biomedical research.

Precision Approaches Improve Community Health, Roger A. Rennekamp, David Buys

Journal of Extension

Recent advances in data science provide Extension practitioners with access to data sorted by zip code, census tract, or neighborhood. Such hyper-local data now allows Extension personnel to assess community needs and assets at a more granular level and focus their work on the people and communities of greatest need. In this article, we introduce an approach we refer to as precision public health. Using such a precision approach to community assessment and, ultimately, programming can save money, increase the likelihood of producing measurable results, and create more manageable workloads for county-based Extension personnel.

Individualized Bayesian Inference Identifies Novel Genetic Variants For Parkinson's Disease, Jin Ren, Yasaman J. Soofi, Md Asad Rahman, Qing Lu, Jinling Liu

Engineering Management and Systems Engineering Faculty Research & Creative Works

Parkinson's disease (PD) is a complex neurodegenerative disorder with a significant genetic component. While genome-wide association studies (GWAS) have been instrumental in identifying genetic variants associated with PD, the reliance on large sample sizes and population-level analyses may overlook variants with lower minor allele frequencies or individual-specific relevance. Individualized Bayesian Inference (IBI) offers a promising method to complement GWAS by identifying and prioritizing candidate genetic markers at both the individual and patients-like-me subgroup levels. This study evaluates the application of IBI to PD genetics, using GWAS as a baseline for comparison. We analyzed genetic data from the Fox Insight online …

Data Curation And Integration For Cancer Cell Line Pharmacogenomics Analysis, Meric Kinali

Graduate Masters Theses

Cancer cell lines are essential resources for connecting genomic and molecular features with drug response and identifying biomarkers. Therefore, large-scale cancer cell line resources have been growing, but this introduces challenges such as data standardization, consistent annotation, matching identifiers, cross-database integration, and a reproducible computational framework. CellMiner Cross Database (CellMinerCDB) integrates pharmacogenomic datasets from multiple resources and provides a standardized analysis of cell lines across datasets. This thesis examines cancer cell line cross-databases and their importance in pharmacogenomics, with a particular focus on CellMinerCDB. As part of this work, I developed an R package for the gCSI (Genentech Cell Line …

Expression Profiling And Bioinformatic Characterization Of Depalmitoylation-Associated Genes During Sh-Sy5y Neuronal Differentiation, Ayesha Lodhi

Seton Hall University Dissertations and Theses (ETDs)

Palmitoylation is a reversible post-translational modification involving covalent attachment of palmitoyl groups to cysteine residues. Till date, 23 members of this family have been identified in mammals, located in Golgi apparatus and endoplasmic reticulum and nearly 40% of synaptic proteins are estimated undergo palmitoylation. These proteins include vesicle fusion proteins (SNARE), signaling molecules, ion channels and neurotransmitter receptors such as gamma-aminobutyric acidreceptors, kainate receptors and glutamate receptors. While its role in neuronal function has been widely recognized, comparatively little is known about how depalmitoylation-associated enzymes are regulated during neuronal differentiation. The present study aimed to characterize changes in depalmitoylation-associated gene …

Host-Pathogen Dynamics Underpinning Staphylococcus Aureus Growth During Intracellular Osteoclast Infection, Luke D. O'Connor

WUSM Theses and Dissertations – All Programs

Bone infection is most commonly caused by the gram-positive bacterium Staphylococcus aureus. It has myriad ways in which it can circumvent or subvert killing by the host or antibiotics. Intracellular infection is one such niche that is protective from immune and antibiotic attack. In 2019, Krauss and colleagues discovered that infected osteoclasts (OCs) allow S. aureus to replicate intracellularly. There they found that the ability of S. aureus to grow inside the cell was tied to OC differentiation. The magnitude of overnight bacterial expansion positively correlated with OC maturity and duration cultured with the osteoclastogenic factor RANK ligand (RANKL). Bacterial …

Scalable And Accurate Computational Frameworks For Complex Genetic Variants: From Repeat Expansion Discovery To Somatic Mosaicism Benchmarking, Zitian Tang

Arts & Sciences Graduate Student Theses and Dissertations

Whole-genome sequencing (WGS) offers a comprehensive view of genetic variation in human disease, but translating sequencing data into reliable biological and clinical insight depends on both the deployment of appropriate computational tools and the availability of rigorous benchmarking resources to evaluate them. This dissertation addresses both requirements through two complementary lines of work. In a cohort of 788 patients with idiopathic peripheral neuropathy (IPN) from the Peripheral Neuropathy Research Registry, a WGS-based pipeline integrating ExpansionHunter Denovo and ExpansionHunter with unsupervised genotype clustering identified biallelic RFC1 AAGGG repeat expansions in 2.3% of all IPN cases and 6.9% of patients with pure …

Assessing Gene Expression Changes In The Octocoral Briareum Asbestinum Due To Vibrio Coralliilyticus Exposure, Hailey Poignant

All HCAS Student Capstones, Theses, and Dissertations

Coral reefs are an essential ecosystem home to tons of marine diversity that humans have also  learned to rely on, but they are harmed by climate change and the increasing prevalence of disease. While most studies focus on reef-building coral, octocorals also warrant attention to reveal how they respond to similar stressors. Octocorals share distant ancestry with reef-building corals, so there may be overlap in their immune responses which could provide insight into future restoration projects. To understand how octocorals respond to disease, the octocoral Briareum asbestinum was used as a model to examine gene expression changes caused by the …

From Genes To Streams: Mitochondrial Approaches To Population Monitoring Of The Santa Ana Sucker Catostomus Santaanae, Mariana Antonio

Electronic Theses, Projects, and Dissertations

This study was developed to use aquatic environmental DNA (eDNA) as a tool to detect the presence of the Santa Ana sucker (Catostomus santaanae), a federally threatened fish species, across the Santa Ana River in Southern California. Environmental DNA is any genetic material that an organism sheds into the environment. We can get an idea of what aquatic species are present when sampling water at a given site. We sequenced the complete mitochondrial genome (mitogenome) of the Santa Ana sucker and designed custom DNA primers to improve eDNA detection accuracy. These primers were selected based on high genetic …

A Genetic Analysis Of The Rare Endemic Astragalus Ripleyi Barneby, Juan Antonio Jaramillo-Chico

Master's Theses

Astragalus ripleyi Barneby is a rare endemic species found in the San Luis Valley of the southern portions of the Rocky Mountains in Colorado and New Mexico. Though not federally listed as endangered, the species is on the Bureau of Land Management’s Sensitive Species List, warranting protection and continued management. This study aims to provide information about the genetic health of the species to inform conservation efforts and provide updated management recommendations. A genetic health analysis was conducted investigating the levels of diversity present in the species, how genetic diversity is structured across the known range of the species and …

Prenatal Acoustic Programming Of The Developing Hypothalamus: A Multi-Omic Analysis Of Heat Call Exposure In Zebra Finch Embryos, Prakrit Subba

All Dissertations

Climate change is intensifying thermal stress on wildlife globally, yet the developmental mechanisms by which embryos use prenatal cues to adjust to predicted environments remain unclear. In Australian zebra finches (Taeniopygia guttata), incubating parents produce distinctive heat call vocalizations at high ambient temperatures, and embryos exposed to these calls during late incubation develop altered growth trajectories, thermoregulatory capacity, and reproductive outcomes, suggesting a form of anticipatory developmental programming triggered by sound alone. To investigate the molecular basis of this response, I initially hypothesized that prenatal heat call exposure would act primarily through hypothalamic neuroendocrine reprogramming, given the central …

Agent-Based Modeling Of Cellular Dynamics In Adoptive Cell Therapies, Yujia Wang

Dissertations and Theses (Open Access)

Adoptive cell therapies (ACT) have shown promising progress in combating cancer, but clinical responses remain heterogeneous. Key determinants, including the functional states of infused cells, tumor–immune interactions, and dosing strategies, are difficult to resolve experimentally in the dynamic and heterogeneous tumor microenvironment, limiting optimization of ACT products and treatment regimens. To address the gap, we developed ABMACT (Agent-Based Model for Adoptive Cell Therapies), a computational framework that reconstruct key cellular functions, interactions, and molecular signatures to recapitulate cell population dynamics associated with differential treatment responses. ABMACT encodes autonomous “virtual cells” using literature-informed rules calibrated with experimental data, enabling simulation of …

From Geometry To Recognition: A Quantitative Framework For Tcr-Pmhc Structural Analysis In The Age Of Predicted Structures, Kun Hee Kim

Dissertations and Theses (Open Access)

Recognition of antigen by a T cell begins with a single physical event, the engagement of the T cell receptor (TCR) with a peptide-major histocompatibility complex (pMHC), and this interaction is encoded in the geometry with which the receptor docks onto the composite pMHC surface. Whether that docking geometry is biologically organized, and whether the structures now produced at scale by prediction preserve recognition or only reproduce that organization, are the two questions this thesis addresses. Two gaps stand in the way. The first is a gap of measurement, because docking geometry has never been made quantitatively comparable across many …

Time-Frequency Analysis Of Arterial Pulse Signals Of Cardiovascular Disease Patients Measured By A Microfluidic-Based Tactile Sensor, Md Mahfuzur Rahman

Mechanical & Aerospace Engineering Theses & Dissertations

This dissertation presents a single-degree-of-freedom (SDOF) based time–frequency analysis framework that can simultaneously extract a comprehensive set of cardiovascular autonomic indices from arterial pulse wave recordings obtained at rest and post-exercise, supporting non-invasive monitoring of autonomic recovery during cardiac rehabilitation. The framework rests on three technical contributions.

First, an SDOF analytical model of motion artefacts quantifies two physically distinct distortion mechanisms: additive baseline drift and Time-Varying System Parameter (TVSP) generated distortion of the Tissue-Contact-Sensor (TCS) stack. Baseline drift is slowly varying and removable by filtering; TVSP distortion rides on all harmonics of the true pulse signal and cannot be removed …

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). …

Interpretable Ai-Enabled Decision Support For Drinking-Straw Substitution Using Per-Use Greenhouse-Gas Indicators And User-Review Evidence, Ahmed Barakat Hosseny, Marwa Said Hassan, Shymaa Khamis, Randa Osman, Gassan Hodaifae, Jie Tang, Shaoshan Liu

Basic Science Engineering

Plastic drinking straws are a visible single-use plastic product, yet selecting suitable substitutes remains challenging because literature-derived climate evidence and reported user experience are rarely evaluated together. This study develops and demonstrates an interpretable AI-enabled decision-support workflow that integrates literature-derived per-use greenhouse gas (GHG) indicators with review-derived user evidence extracted from online customer reviews using natural language processing (NLP). Drinking-straw alternatives were used as an information-rich case study. The integrated assessment combined a GHG-derived score, a user-experience feature score, and rating-based consumer approval within a transparent multi-criteria decision analysis (MCDA) under four predefined decision-priority scenarios. Among the five shortlisted materials …

In Silico Analysis Of Vaginal Microbiota In Female Reproductive Health Using Ncbi Database And Blast, Arleni Bustami, Ariyani Kiranasari, Engla Merizka

Indonesian Journal of Medical Chemistry and Bioinformatics

Background: The vaginal microbiota plays a critical role in maintaining female reproductive health. Beneficial bacteria, particularly Lactobacillus species, contribute to vaginal homeostasis, whereas dysbiosis-associated bacteria such as Gardnerella vaginalis and Prevotella bivia have been linked to bacterial vaginosis and reproductive tract disorders. Publicly available nucleotide databases and bioinformatic tools provide accessible resources for studying microbial species associated with vaginal health. Objective: This study aimed to perform a simple in silico analysis of representative vaginal microbiota using publicly available 16S rRNA gene sequences retrieved from the NCBI database and analyzed using BLAST and phylogenetic approaches. Methods: Representative 16S rRNA gene sequences …

Deconstructing Systemic Sclerosis Heterogeneity: From Patient Subtypes To Pathogenic Fibroblasts, Rezvan Parvizi

Dartmouth College Ph.D Dissertations

This thesis advances heterogeneity as the central barrier both to interpreting therapeutic response and to identifying the molecular regulators that drive fibrosis in systemic sclerosis (SSc). In SSc, heterogeneity is manifest at every level at which the disease can be measured: clinically, in the variable extent of skin and organ involvement; molecularly, in the distinct gene-expression programs that distinguish otherwise comparable patients; and cellularly, in the diverse fibroblast populations from which the fibrotic signal ultimately arises.

Leveraging longitudinal skin transcriptomics from a large cohort treated with mycophenolate mofetil (MMF), the first study demonstrates that intrinsic molecular subtypes are dynamic rather …

Interpretable Machine Learning Of Plasma Proteomics Reveals Stage-Specific Signatures Across The Alzheimer's Disease Continuum, Hemshankar Laugi

2026 Spring Honors Capstones Projects

Alzheimer’s pathology begins years before clinical symptoms, starting early with amyloid-β accumulation, followed by tau deposition and neurodegeneration. Although existing tools, such as cerebrospinal fluid (CSF) screening and PET/MRI imaging, can accurately track disease progression, they are invasive, expensive, and not scalable for population-level screening. So, there is a growing interest in using blood-based plasma biomarkers as a scalable alternative. While recent studies demonstrate strong predictive performance with plasma biomarkers, most rely on a small set of canonical blood-based protein biomarkers such as amyloid-β, p-tau, and neurofilament light. These biomarkers primarily reflect downstream brain pathology and may fail to capture …

Personalizable Metabolic Models To Enable Immune Characterization And Drug Discovery, Joshua Loecker

Department of Biochemistry: Dissertations, Theses, and Student Research

Cellular metabolism is reshaped by disease and physiological state, and genome-scale metabolic networks (GSMNs) offer a systematic way to interrogate this biology and identify therapeutic targets. Building a GSMN from expression data, however, requires a sequence of stages including read processing, normalization and gene-activity classification, multi-omic integration, model reconstruction, simulation, and biological interpretation. These are typically handled by disconnected tools spanning multiple programming languages, file formats, and databases. The resulting reliance on heterogeneous interfaces and manual steps threatens reproducibility. This work develops an ecosystem of computational tools that carry an analysis from raw sequencing reads to mechanistic biological interpretation. First, …

Implementation Study Of Aortagpt, An Ai Decision Support Tool For Heritable Thoracic Aortic Disease, Noah Mathai

Summer Research Program Abstracts

No abstract provided.

In Silico And Toxicological Evaluation Of Crescentia Cujete Aqueous Extract: Potential Anticancer Activity Against Breast Cancer, Rahma Diyan Martha, Fatimah Fatimah, Syahputra Wibowo, Bantari Wisynu Kusuma Wardhani, Josephine Elizabeth Siregar, Elisabeth Farah Novita Coutrier, Alfia Fitrianita, Andri Pramesyanti Pramono, Ita Margaretha Nainggolan, Yudhi Nugraha, Danar Danar, Naufal Abiyyu, Lalu Unsunnidhal, Aswin Rafif Khairullah, Arif Nur Muhammad Ansori, Hesty Parbuntari, Wimbuh Tri Widodo

Makara Journal of Science

Majapahit plant (Crescentia cujete), commonly found in Indonesia, has not been extensively explored for its medicinal properties. Given that many cancer treatments are derived from plants, this study aimed to examine the effects of plants on cancer chemical composition of the C. cujete fruit pulp extract, identify its primary compounds, and assess its potential as an antioxidant, anticancer agent, particularly for breast cancer. An insilico approach was used to evaluate the toxicity and interactions, of the compounds with cancer biomarker proteins, in addition to an in vivo Brine Shrimp Lethality Test (BSLT) for BSLT, toxicity screening using six …

Screening For The Suitable Signal Peptide For Secreted Nattokinase Expression In E. Coli Using An In Silico Approach: Precursor Vs. Mature Forms, Dewi Purwani Caya Ningsih, Kartika Sari Dewi, I Wayan Martadi Santika, Ade Andriani, Joko Pebrianto Trinugroho, Muhammad Yusuf

Makara Journal of Science

Nattokinase (NK), an enzyme with thrombolytic activity, has been widely used in treating cardiovascular disease. The expression of NK in the E. coli cell host is favored due to its several benefits, though it often results in inclusion bodies. Appropriate signal peptides can be attached to the N-terminus of a protein to initiate a secretory expression system, thus preventing the nascent protein from aggregating in the cytoplasm. This study aimed to identify suitable signal peptides for the secretory expression of active NK in E. coli and to investigate the impact of pre-protein in NK secretion using an in silico approach. …

From Cardiovascular Safety Assessment To Peptide Hemolytic Activity Prediction: Integrative Computational Analyses For Drug Evaluation And Discovery, Xinran Zhu

USF Tampa Graduate Theses and Dissertations

This thesis applied integrative computational approaches to two major areas of drug evaluation and discovery: cardiovascular safety assessment and peptide hemolytic activity prediction. First, pharmacovigilance data from the FDA Adverse Event Reporting System (FAERS), electronic health records (EHRs) from TriNetX, and transcriptomic analyses were combined to evaluate anesthetic-associated cardiac rhythm adverse drug events. Among propofol, ketamine, dexmedetomidine, and midazolam, dexmedetomidine showed the strongest association with bradycardia across both FAERS and propensity score-matched EHR analyses. Stratified analyses further suggested substantially higher bradycardia prevalence among older patients and a modestly increased risk among male patients. Drug-drug interaction analyses identified risperidone and albuterol …

Structure-Based Discovery Of Malate Dehydrogenase Inhibitors With Efficacy Against C. Parvum Oocysts, Ankita Bharatbhai Kheni

Biochemistry and Molecular Biology

Cryptosporidium parvum, the etiological agent of Cryptosporidiosis (diarrheal illness) represents a significant global health burden, particularly affecting immunodeficient and pediatric populations. Since the parasite has a highly reduced mitochondrion and relies on glycolysis, enzymes such as C. parvum malate dehydrogenase (CpMDH), which are believed to be indispensable for parasite viability due to their pivotal roles in NAD⁺ regeneration and redox balance, remain largely unexplored as therapeutic targets. The present study employed a multifaceted experimental and computational strategy to evaluate the inhibitory activity of two lead-like and drug-like small molecules, referred to as compound 1.8 and compound 1.5, against the cofactor …