• Toward high thermoelectric performance of solids: ab initio forces within the orthogonalized linear combination of atomic orbitals method 

  Alzahrani, Nuha (2024)

  Toward the long-term goal of predicting the figure of merit of complex thermoelectric materials, we introduce the computational and theoretical groundwork for the calculation of interatomic forces in ab initio calculations ...

• Medieval seismicity on the Himalayan Frontal Thrust Fault at Lal Dhang, Uttarakhand, India 

  Daniels, Robyn L. (2019)

  The Himalayan Frontal Thrust Fault (HFT) lies at the active, tectonic boundary between Eurasia and the Indian subcontinent. Continuous convergence between the landmasses causes strain to accumulate on the fault, which is ...

• Advancing the treatment of relativistic theory within the OLCAO package and with application to solar photovoltaic technologies 

  Alsharef, Mrwah (2024)

  Methylammonium lead bromide, known as CH3NH3PbBr3, is a promising perovskite material for the absorption layer in solar cells. While its bulk electronic structure is favorable, its long-term stability and interface design ...

• Exploring multivalency and chemical modifications in the development of anti-PD-L1 peptide inhibitors for cancer immunotherapy 

  Mamani, Umar-Farouk Wumbei (2023)

  The PD-1/PD-L1 immune checkpoint axis is one of the most common pathways exploited by cancers to evade immune surveillance. Many cancers overexpress PD-L1 (programmed cell death ligand 1) on their surface through which ...

• Investigation of process–structure–property correlations for plasma-enhanced chemical vapor deposited complex disordered solids: towards data-driven computational materials design 

  Pinnepalli, Sai Siva Kumar (2023)

  Complex disordered solids, characterized by multicomponent, multiphase, sub-structured configurations, coupled with a lack of long-range order, represent an application-rich class of materials, exhibiting a vast number of ...

• Targeting extracellular matrix using siRNA for the treatment of liver fibrosis and pancreatic cancer 

  Lin, Chien-Yu (2023)

  The objective of this dissertation is to develop peptide-based siRNA delivery systems for the treatment of liver fibrosis and pancreatic ductal adenocarcinoma (PDAC). We recently discovered that silencing the poly (rC) ...

• Development of Closomer And MIBG based Nanoformulation: Application to HIV Prevention and Neuroblastoma Therapy 

  Akinjole, Omowumi Victoria (2023)

  This dissertation is divided into two parts. Part #1 focuses on the development and characterization of closomer based nanoformulation for the prevention of HIV/AIDS sexual transmission. Part #2 focuses on the development ...

• Design, Preparation, And Applications Of Novel N-Vinyliminium Salts in Organic Synthesis. Design and Synthesis of Tau Aggregate-specific Fluorescent Probes for Postmortem Imaging of Brains with Tauopathies 

  Domingos, Terena Eunice (2023)

  PART I Efforts to optimize the electrophilic coupling partners for the Suzuki reaction by electronically and sterically tuning the pyridinium moiety are described. Both reaction temperature and catalyst loading have been ...

• Library Screening and Focused Multiomics of Antibacterial Action on Vancomycin-Resistant Enterococci faecium 

  Gargvanshi, Shivani (2023)

  Antimicrobial resistance is a major public health threat, and there is an urgent need for new strategies to address this issue. In a gram-positive bacteria, the peptidoglycan layer is thick as compared to gram negatives ...

• Chemical strategies for improving anti-diabetic glucagon therapy 

  Chintala, Swetha (2023)

  The pancreas functions to carry out one of the most critical functions in the human metabolism, viz. glucose homeostasis. It achieves homeostasis by producing hormones including insulin and glucagon which act on different ...

• Evaluation of the degradation of per- and polyfluoroalkyl substances (PFAS) using UV-activated silica-based granular media (UV/SGM) 

  McIntyre, Hannah M. (2023)

  Per- and polyfluoroalkyl substances (PFAS) have become ubiquitous in the environment through production, industrial use, and consumer use. PFAS are recalcitrant, persistent, and bioaccumulative contaminants of concern which ...

• Chemical Surface Modification of Polycarbonate to Increase Hydrophilicity 

  Zimmerle, Brittney Renee (2023)

  Polycarbonate, commonly used in glasses lenses, is prone to fogging. Fogging can be reduced by modifying the structure of polycarbonate to be more hydrophilic, ideally superhydrophilic with a contact angle less than 10°. ...

• Plasma-enhanced molecular layer deposition (PEMLD) of boron carbide dielectrics from carboranes for interconnect and patterning applications 

  Thapa, Rupak (2022)

  The dimensional scaling of semiconductor devices following Moore’s law has resulted in smaller, faster, and cheaper integrated circuits (IC) chips, going from ~3000 transistors in an IC chip in the early 1970s, to ~100 ...

• Development and Evaluation of 3D-Printed Cardiovascular Stents 

  Veerubhotla, Hari Mani Krishna (2022)

  Biodegradable stents (BDS) could be a promising alternative to the conventional metallic stents for the treatment of atherosclerosis which is a coronary artery disease (CAD). Three-dimensional (3D) printing technique has ...

• Ab Initio Density Functional Theory Optimized Geometries of Vinyl Trialkylammonium, Vinylpyridinium and Vinyldiazonium Tetrafluoroborate Salts with Natural Bond Orbital Charge Distributions in the Gas Phase 

  Chapman, Patrick Martin (2022)

  N-Vinyltrialkylammonium and N-vinylimmonium tetrafluoroborate salts are novel classes of compounds discovered by Buszek and Jung. They were originally used as dienophiles and as ß-dialkylamino equivalents in Diels-Alder ...

• Discovery and delivery of peptide-based immune checkpoint inhibitors targeting Pd-L1 for cancer immunotherapy 

  Fetse, John Peter (2022)

  The objective of this dissertation is to develop peptide-based immune checkpoint inhibitors that block the interaction between programmed cell death ligand-1 (PD-L1) and its receptor programmed cell death protein 1 (PD-1) ...

• Electrochemical Analysis of Oxidation of Primary Amines to Ketones with 3,5-Di-Tert-Butyl-1,2Benzoquinone 

  Mumau, Matthew Ray (2022)

  Electrochemical techniques have been used extensively to study electrode reactions and the coupled chemical-electrochemical reactions. Moreover, the concentration of redox active species in many of the redox reactions ...

• Cell wall metabolite levels as a function of the growth phase in Staphylococcus aureus and library screening for synergistic combinations of FDA approved drugs against methicillin resistant S. aureus 

  Sharma, Amar Deep (2022)

  Liquid chromatography-tandem mass spectrometry (LC-MS/MS) based methods for quantifying cell wall biosynthesis intermediates. These include LC-MS/MS methods for quantifying cytoplasmic UDP-linked peptidoglycan biosynthesis ...

• Chemical and biochemical applications of vibrational spectroscopy 

  Brenner, Reid Ethan (2022)

  Vibrational spectroscopy is a technique that probes a molecule’s vibrational modes via infrared absorption and Raman scattering, and is often used as a tool for characterization and/or functional group determination. Because ...

• Discovery of Anti-CD47 Peptides for Cancer Immunotherapy and CD47-mimicking Peptides That Inhibit Phagocytic Clearance of Nanoparticles 

  Mustafa, Bahaa (2022)

  In the last few decades cancer immunotherapy has emerged as a standard pillar of cancer treatment. Immune checkpoint inhibitors that are currently available target the adaptive immune system, generating T-cell antitumor ...

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