Physical Sciences and Mathematics Commons^™

Chemical Elements, Flavor Chemicals, And Nicotine In Unused And Used Electronic Cigarettes Aged 5–10 Years And Effects Of Ph, Monique Williams, Wentai Luo, Kevin J. Mcwhirter, Omeka Ikegbu, Prue Talbot

Chemistry Faculty Publications and Presentations

The concentrations of elements/metals, nicotine, flavor chemicals and acids were compared in the e-liquids of unused and used first-generation electronic cigarettes (ECs) that were stored for 5–10 years. Metal analysis was performed using inductively coupled plasma optical emission spectroscopy; nicotine and flavor chemical analyses were performed using gas chromatography/mass spectroscopy. Of the 22 elements analyzed, 10 (aluminum, chromium, copper, iron, lead, nickel, selenium, silicon, tin, zinc) were often found in the e-liquids. Five elements had the highest average concentrations: copper (1161.6 mg/L), zinc (295.8 mg/L), tin (287.6 mg/L), nickel (71.1 mg/L), and lead (50.3 mg/L). Nicotine concentrations were always lower …

A First-Tier Framework For Assessing Toxicological Risk From Vaporized Cannabis Concentrates, Shawna Vreeke, David M. Faulkner, Robert Strongin, Echoleah Rufer

Chemistry Faculty Publications and Presentations

Vaporization is an increasingly prevalent means to consume cannabis, but there is little guidance for manufacturers or regulators to evaluate additive safety. This paper presents a first-tier framework for regulators and cannabis manufacturers without significant toxicological expertise to conduct risk assessments and prioritize additives in cannabis concentrates for acceptance, elimination, or further evaluation. Cannabinoids and contaminants (e.g., solvents, pesticides, etc.) are excluded from this framework because of the complexity involved in their assessment; theirs would not be a first-tier toxicological assessment. Further, several U.S. state regulators have provided guidance for major cannabinoids and contaminants. Toxicological risk assessment of cannabis concentrate …

Enlarging The Stokes Shift By Weakening The Π-Conjugation Of Cyanines For High Signal-To-Noise Ratiometric Imaging, Yongkang Yue, Tingting Zhao, Zhou Xu, Weijie Chi, Xiaojun Chai, Jiahong Ai, Jiawei Zhang, Fangjun Huo, Robert M. Strongin, Caixia Yin

Chemistry Faculty Publications and Presentations

The signal-to-noise ratio (SNR) is one of the key features of a fluorescent probe and one that often defines its potential utility for in vivo labeling and analyte detection applications. Here, it is reported that introducing a pyridine group into traditional cyanine-7 dyes in an asymmetric manner provides a series of tunable NIR fluorescent dyes (Cy-Mu-7) characterized by enhanced Stokes shifts (≈230 nm) compared to the parent cyanine 7 dye (nm). The observed Stokes shift increase is ascribed to symmetry breaking of the Cy-Mu-7 core and a reduction in the extent of conjugation. The fluorescence signals of the Cy-Mu-7 dyes …

Investigating Small-Group Cognitive Engagement In General Chemistry Learning Activities Using Qualitative Content Analysis And The Icap Framework, Safaa Y. El-Mansy, Jack Barbera, Alissa J. Hartig

Chemistry Faculty Publications and Presentations

The level of students’ engagement during active learning activities conducted in small groups is important to understanding the effectiveness of these activities. The Interactive–Constructive–Active–Passive (ICAP) framework is a way to determine the cognitive engagement of these groups by analyzing the conversations that occur while student groups work on an activity. This study used qualitative content analysis and ICAP to investigate cognitive engagement during group activities in a General Chemistry course at the question level, a finer grain size than previously studied. The analysis determined the expected engagement based on question design and the observed engagement based on group conversations. Comparisons …

Recent Advances In Computational Study And Design Of Mof Catalysts For Co2 Conversion, Haoyuan Chen

Chemistry Faculty Publications and Presentations

Catalytic conversion of the greenhouse gas CO2 into value-added chemicals and fuels is highly beneficial to the environment, the economy, and the global energy supply. Metal–organic frameworks (MOFs) are promising catalysts for this purpose due to their uniquely high structural and chemical tunability. In the catalyst discovery process, computational chemistry has emerged as an essential tool as it can not only aid in the interpretation of experimental observations but also provide atomistic-level insights into the catalytic mechanism. This Mini Review summarizes recent computational studies on MOF-catalyzed CO2 conversion through different types of reactions, discusses about the usage of various computational …

Computational Investigation Into Heteroleptic Photoredox Catalysts Based On Nickel(Ii) Tris-Pyridinethiolate For Water Splitting Reactions, Avik Bhattacharjee, Dayalis S.V. Brown, Trent E. Ethridge, Kristine M. Halvorsen, Alejandra C. Acevedo Montano, Theresa M. Mccormick

Chemistry Faculty Publications and Presentations

This work demonstrates a strategy to fine-tune the efficiency of a photoredox water splitting Ni(II) tris-pyridinethiolate catalyst through heteroleptic ligand design using computational investigation of the catalytic mechanism. Density functional theory (DFT) calculations, supported by topology analyses using quantum theory of atoms in molecules (QTAIM), show that the introduction of electron donating (ED) −CH3 and electron withdrawing (EW) −CF₃ groups on the thiopyridyl (PyS–) ligands of the same complex can tune the pK_a and E0, simultaneously. Computational modeling of two heteroleptic nickel(II) tris-pyridinethiolate complexes with 2:1 and 1:2 ED and EW −CH₃ and −CF_{3 …}

Chemical Interactions And Cytotoxicity Of Terpene And Diluent Vaping Ingredients, Yanira Baldovinos, Alexandra Archer, James C. Salamanca, Robert M. Strongin, Christie Sayes

Chemistry Faculty Publications and Presentations

Vaping devices have risen in popularity since their inception in 2007. The practice involves using a variety of commercially available devices. Internal heating systems in devices aerosolize e-liquid formulations of complex mixtures including an active ingredient (e.g., THC, CBD, and nicotine), diluents (or cutting agents), solvents, and flavoring agents (e.g., terpenes and aldehydes). The vaping toxicology literature consists of cytotoxicity studies of individual chemicals and commercial formulas. Because of the variation of e-liquid composition, there is a limited understanding of the toxicity of ingredient combinations. This study analyzed the cytotoxic effects after exposure to individual and binary mixtures of a …

Saturable Absorption Of Free-Electron Laser Radiation By Graphite Near The Carbon K-Edge, Lars Hoffmann, Sasawat Jamnuch, Craig P. Schwartz, Tobias Helk, Sumana L. Raj, Hikaru Mizuno, Riccardo Mincigrucci, Laura Foglia, Emiliano Principi, Shervin Fatehi

Chemistry Faculty Publications and Presentations

The interaction of intense light with matter gives rise to competing nonlinear responses that can dynamically change material properties. Prominent examples are saturable absorption (SA) and two-photon absorption (TPA), which dynamically increase and decrease the transmission of a sample depending on pulse intensity, respectively. The availability of intense soft X-ray pulses from free-electron lasers (FELs) has led to observations of SA and TPA in separate experiments, leaving open questions about the possible interplay between and relative strength of the two phenomena. Here, we systematically study both phenomena in one experiment by exposing graphite films to soft X-ray FEL pulses of …

Electrospun Poly(3-Hydroxybutyrate-Co-3-Hydroxyvalerate)/Olive Leaf Extract Fiber Mesh As Prospective Bio-Based Scaffold For Wound Healing, Jose Gustavo De La Ossa, Serena Danti, Jasmine Esposito Salsano, Bahareh Azimi, Veronika Tempesti, Niccoletta Barbani, Maria Digiacomo, Marco Macchia, Mohammed Jasim Uddin, Caterina Cristallini

Chemistry Faculty Publications and Presentations

Polyhydroxyalkanoates (PHAs) are a family of biopolyesters synthesized by various microorganisms. Due to their biocompatibility and biodegradation, PHAs have been proposed for biomedical applications, including tissue engineering scaffolds. Olive leaf extract (OLE) can be obtained from agri-food biowaste and is a source of polyphenols with remarkable antioxidant properties. This study aimed at incorporating OLE inside poly(hydroxybutyrate-co-hydroxyvalerate) (PHBHV) fibers via electrospinning to obtain bioactive bio-based blends that are useful in wound healing. PHBHV/OLE electrospun fibers with a size of 1.29 ± 0.34 µm were obtained. Fourier transform infrared chemical analysis showed a uniform surface distribution of hydrophilic -OH groups, confirming the …

Ligand-Based Virtual Screening And Molecular Docking Of Benzimidazoles As Potential Inhibitors Of Triosephosphate Isomerase Identified New Trypanocidal Agents, Lenci K. Vazquez-Jimenez, Alfredo Juarez-Saldivar, Rogelio Gomez-Escobedo, Timoteo Delgado-Maldonado, Domingo Mendez-Alvarez, Isidro Palos, Debasish Bandyopadhyay, Carlos Gaona-Lopez, Eyra Ortiz-Perez, Benjamin Nogueda-Torres, Esther Ramirez-Moreno, Gildardo Rivera

Chemistry Faculty Publications and Presentations

Trypanosoma cruzi (T. cruzi) is a parasite that affects humans and other mammals. T. cruzi depends on glycolysis as a source of adenosine triphosphate (ATP) supply, and triosephosphate isomerase (TIM) plays a key role in this metabolic pathway. This enzyme is an attractive target for the design of new trypanocidal drugs. In this study, a ligand-based virtual screening (LBVS) from the ZINC15 database using benzimidazole as a scaffold was accomplished. Later, a molecular docking on the interface of T. cruzi TIM (TcTIM) was performed and the compounds were grouped by interaction profiles. Subsequently, a selection of compounds was made based …

Excitation-Dependent Photoluminescence Of Bazro3:Eu3+ Crystals, Santosh K. Gupta, Hisham Abdou, Carlo U. Segre, Yuanbing Mao

Chemistry Faculty Publications and Presentations

The elucidation of local structure, excitation-dependent spectroscopy, and defect engineering in lanthanide ion-doped phosphors was a focal point of research. In this work, we have studied Eu³⁺-doped BaZrO₃ (BZOE) submicron crystals that were synthesized by a molten salt method. The BZOE crystals show orange–red emission tunability under the host and dopant excitations at 279 nm and 395 nm, respectively, and the difference is determined in terms of the asymmetry ratio, Stark splitting, and intensity of the uncommon ⁵D₀ → ⁷F₀ transition. These distinct spectral features remain unaltered under different excitations for the BZOE …

Upcycling Mask Waste To Carbon Capture Sorbents: A Combined Experimental And Computational Study, Mark Robertson, Alejandro Guillen Obando, Bianca Nunez, Haoyuan Chen, Zhe Qiang

Chemistry Faculty Publications and Presentations

Massive plastic pollution and grand scale emission of CO2 into the atmosphere represent two major and deeply connected societal challenges, which can have adverse impacts on climate, human health, and marine ecosystems. In particular, the COVID-19 pandemic led to substantially increased production, use, and discarding of disposable masks, a problem that requires urgent and effective technological solutions to mitigate their negative environmental impacts. Furthermore, over the years significant research efforts have sought to address the challenges of plastic waste and CO2 emission, such as development of chemical upcycling methods and low-cost CO2 capture sorbents at scale, respectively. In this work, …

Sar Study Of Niclosamide Derivatives In The Human Glioblastoma U-87 Mg Cells, Shizue Mito, Benxu Cheng, Benjamin A. Garcia, Daniela Gonzalez, Xin Yee Ooi, Tess C. Ruiz, Francisco Xavier Elisarraras, Andrew Tsin, Sue Anne Chew, Marco A. Arriaga

Chemistry Faculty Publications and Presentations

Glioblastoma is a lethal malignant brain tumor, and the development of efficient chemotherapeutic agents remains an urgent need. Niclosamide, an anthelmintic drug, which has been used to treat tapeworm infections more than 50 years, has recently attracted renewed attention due to its evident anticancer activities. It has been shown that niclosamide induces cytotoxicity in human glioblastoma U-87 MG cells corresponding with increased protein ubiquitination, ER stress, and autophagy. Furthermore, niclosamide showed down regulation of multiple pro-survival signaling pathways including Wnt/β-catenin, PI3K/AKT, MAPK/ERK, and STAT3, which further caused reduction of U87-MG cell viability. However, the molecular mechanisms of niclosimide and its …

Investigation On The Synthesis, Application And Structural Features Of Heteroaryl 1,2-Diketones, Robert J. Wehrle, Alexander Rosen, Thu Vu Nguyen, Kalyn Koons, Eric Jump, Mason Bullard, Natalie Wehrle, Adam Stockfish, Patrick M. Hare, Abdurrahman Atesin, Tülay A. Ateşin, Lili Ma

Chemistry Faculty Publications and Presentations

A set of unsymmetrical heteroaryl 1,2-diketones were synthesized by a heteroarylation/oxidation sequence with up to 65% isolated yields. Palladium catalyst XPhos Pd G4 and SeO2 were the key reagents used in this methodology, and microwave irradiation was utilized to facilitate an efficient and ecofriendly process. The application of heteroaryl 1,2-diketones is demonstrated through the synthesis of an unsymmetrical 2-phenyl-3-(pyridin-3-yl)quinoxaline (5a) from 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione (4a). The lowest energy conformations of 4a and 5a were located using Density Functional Theory (DFT) at the M06-2X/def2-TZVP level of theory. Two lowest energy conformations of 4a differ with respect to the position of the N atom …

Improved Photodecarboxylation Properties In Zinc Photocages Constructed Using M‐Nitrophenylacetic Acid Variants, Austin K. Shigemoto, Avik Bhattacharjee, Erin E. Hickey, Hallee Jade Boyd, Theresa M. Mccormick, Shawn C. Burdette

Chemistry Faculty Publications and Presentations

The methoxy- and fluoro-derivatives of meta-nitrophenylacetic acid (mNPA) chromophores undergo photodecarboxylation with comparable quantum yields to unsubstituted mNPA, but uncage at red-shifted excitation wavelengths. This observation prompted us to investigate DPAdeCageOMe (2-[bis(pyridin-2-ylmethyl)amino]-2-(4-methoxy-3-nitrophenyl)acetic acid) and DPAdeCageF (2-[bis(pyridin-2-ylmethyl)amino]-2-(4-fluoro-3-nitrophenyl)acetic acid) as Zn2+ photocages. DPAdeCageOMe has a high quantum yield and exhibits other photophysical properties comparable to XDPAdeCage ({bis[(2-pyridyl)methyl]amino}(9-oxo-2-xanthenyl) acetic acid), the best perforiming Zn2+ photocage reported to date. Since the synthesis of DPAdeCageOMe is more straightforward than XDPACage, the new photocage will be a highly competitive tool for biological applications.

Multifunctional Nanomaterials For Energy Applications, Simas Rackauskas, Federico Cesano, Mohammed Jasim Uddin

Chemistry Faculty Publications and Presentations

No abstract provided.

A Multi‑Analytical Approach To Identify Red Colorants On Woodblock Prints Attributed To Suzuki Harunobu, Lyndsay Nichole Kissell, Trine K. Quady, Dario Durastanti, Samantha Springer, Jeannie Kenmotsu, Tami Lasseter Clare

Chemistry Faculty Publications and Presentations

Red organic dye identification is an important topic for conservation of Japanese ukiyo-e prints. Of particular interest are the works of Suzuki Harunobu, who was working at the inception of full-color printmaking. These prints were made on thin kōzo paper and woodblock printed with semi-transparent to opaque regions of dye(s) and/ or pigment(s) mixed with binder. This study used imaging analysis, X-ray fluorescence (XRF), Raman, and surfaceenhanced Raman spectroscopies (SERS) to identify the red dyes and pigments on Harunobu prints in the collection of the Portland Art Museum. Through image analysis (visible, UV, and IR illuminations), 23 prints were categorized …

Investigating Student Engagement In General Chemistry Active Learning Activities Using The Activity Engagement Survey (Aces), Nicole Naibert, Jack Barbera

Chemistry Faculty Publications and Presentations

Investigating student engagement in active learning activities could provide valuable insight into variations of student learning outcomes when active learning is included in a course. This study sought to explore students’ engagement in relation to active learning activities incorporated in a general chemistry lecture course using the Activity Engagement Survey (AcES). The AcES can be used to simultaneously assess students’ overall engagement, as well as dimensions above and beyond overall engagement including their combined behavioral/cognitive engagement, emotional engagement, and social engagement. As students’ engagement may be influenced by aspects related to the learning environment and context, differences in engagement were …

The Hyperporphyrin Concept: A Contemporary Perspective, Carl C. Wamser, Abhik Ghosh

Chemistry Faculty Publications and Presentations

The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as dominated by four frontier molecular orbitals─two nearly degenerate HOMOs and two exactly degenerate LUMOS under D4h symmetry. These are well separated from all the other molecular orbitals, and normal spectra involve transitions among these MOs. Unusual spectra occur when additional orbitals appear in this energy range, typically as a consequence of the central coordinated atom. For example, metals with empty d orbitals in a suitable energy range may lead to charge transfer from porphyrin (ligand) to metal, that is, so-called LMCT transitions. Metals with filled p or d orbitals may …

Development Of The Chemistry Mindset Instrument (Chemi) For Use With Introductory Undergraduate Chemistry Students, Deborah L. Santos, Jack Barbera, Suazette R. Mooring

Chemistry Faculty Publications and Presentations

Chemistry education research has increasingly considered the role of affect when investigating chemistry learning environments over the past decade. Despite its popularity in educational spheres, mindset has been understudied from a chemistry-specific perspective. Mindset encompasses one's beliefs about the ability to change intelligence with effort and has been shown to be a domain-specific construct. For this reason, students’ mindset would be most relevant in chemistry if it were measured as a chemistry-specific construct. To date, no instrument has been developed for use in chemistry learning contexts. Here we present evidence supporting the development process and final product of a mindset …

Inorganic Cesium Lead Mixed Halide Based Perovskite Solar Materials Modified With Functional Silver Iodide, Vincent Obiozo Eze, Lucas Braga Carani, Haimanti Majumder, M. Jasim Uddin, Okenwa Okoli

Chemistry Faculty Publications and Presentations

Inorganic CsPbIBr2 perovskites have recently attracted enormous attention as a viable alternative material for optoelectronic applications due to their higher efficiency, thermal stability, suitable bandgap, and proper optical absorption. However, the CsPbIBr2 perovskite films fabricated using a one-step deposition technique is usually comprised of small grain size with a large number of grain boundaries and compositional defects. In this work, silver iodide (AgI) will be incorporated as an additive into the CsPbIBr2 perovskite precursor solution to prepare the unique perovskite CsI(PbBr2)1-x(AgI)x. The AgI additive in the precursor solution works as a nucleation promoter which will help the perovskite to grow …

Orbital Analysis Of Bonding In Diarylhalonium Salts And Relevance To Periodic Trends In Structure And Reactivity, Shubhendu S. Karandikar, Avik Bhattacharjee, Bryan Metze, Nicole Javaly, Edward J. Valente, Theresa M. Mccormick, David R. Stuart

Chemistry Faculty Publications and Presentations

Diarylhalonium compounds provide new opportunities as reagents and catalysts in the field of organic synthesis. The three center, four electron (3c–4e) bond is a center piece of their reactivity, but structural variation among the diarylhaloniums, and in comparison with other λ3-iodanes, indicates that the model needs refinement for broader applicability. We use a combination of Density Functional Theory (DFT), Natural Bond Orbital (NBO) Theory, and X-ray structure data to correlate bonding and structure for a λ3-iodane and a series of diarylchloronium, bromonium, and iodonium salts, and their isoelectronic diarylchalcogen counterparts. This analysis reveals that the s-orbital on the central halogen …

The Scientific Method As A Scaffold To Enhance Communication Skills In Chemistry, Thomas D. Montgomery, Joanne Rae Buchbinder, Ellen S. Gawalt, Robbie J. Iuliucci, Andrew S. Koch, Evangelia Kotsikorou, Patrick E. Lackey, Min Soo Lim, Jeffrey Joseph Rohde, Alexander J. Rupprecht

Chemistry Faculty Publications and Presentations

Scientific success in the field of chemistry depends upon the mastery of a wide range of soft skills, most notably scientific writing and speaking. However, training for scientific communication is typically limited at the undergraduate level, where students struggle to express themselves in a clear and logical manner. The underlying issue is deeper than basic technical skills; rather, it is a problem of students’ unawareness of a fundamental and strategic framework for writing and speaking with a purpose. The methodology has been implemented for individual mentorship and in our regional summer research program to deliver a blueprint of thought and …

Small-Molecule Ras Inhibitors As Anticancer Agents: Discovery, Development, And Mechanistic Studies, Shaila A. Shetu, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Mutations of RAS oncogenes are responsible for about 30% of all human cancer types, including pancreatic, lung, and colorectal cancers. While KRAS1 is a pseudogene, mutation of KRAS2 (commonly known as KRAS oncogene) is directly or indirectly associated with human cancers. Among the RAS family, KRAS is the most abundant oncogene related to uncontrolled cellular proliferation to generate solid tumors in many types of cancer such as pancreatic carcinoma (over 80%), colon carcinoma (40–50%), lung carcinoma (30–50%), and other types of cancer. Once described as ‘undruggable’, RAS proteins have become ‘druggable’, at least to a certain extent, due to the …

Continuum Dynamics And Statistical Correction Of Compositional Heterogeneity In Multivalent Idp Oligomers Resolved By Single-Particle Em, Barmak Mostofian, Russell Mcfarland, Aiden Estelle, Jesse Howe, Elisar J. Barbar, Steve L. Reichow, Daniel M. Zuckerman

Chemistry Faculty Publications and Presentations

Multivalent intrinsically disordered protein (IDP) complexes are prevalent in biology and act in regulation of diverse processes, including transcription, signaling events, and the assembly and disassembly of complex macromolecular architectures. These systems pose significant challenges to structural investigation, due to continuum dynamics imparted by the IDP and compositional heterogeneity resulting from characteristic low-affinity interactions. Here, we developed a modular pipeline for automated single-particle electron microscopy (EM) distribution analysis of common but relatively understudied semi-ordered systems: 'beads-on-a-string' assemblies, composed of IDPs bound at multivalent sites to the ubiquitous ∼20kDacross-linking hub protein LC8. This approach quantifies conformational geometries and compositional heterogeneity on …

Exploring Student Perceptions Of Behavioral, Cognitive, And Emotional Engagement At The Activity Level In General Chemistry, Nicole Naibert, Elizabeth Vaughan, Kylee Brevick, Jack Barbera

Chemistry Faculty Publications and Presentations

Although active learning strategies are being incorporated into many higher-education STEM courses, not all students benefit from these activities to the same extent. As these types of activities are designed to engage students in their learning, differences in student engagement may explain some of the differences in learning outcomes. However, before student engagement in active learning activities can be meaningfully measured using a self-report survey, it is important to evaluate if students perceive engagement similarly to the literature definitions on which these measures are based. Therefore, this study sought to explore students’ perceptions of the behavioral, cognitive, and emotional dimensions …

Development And Evaluation Of A Survey To Measure Student Engagement At The Activity Level In General Chemistry, Nicole Naibert, Jack Barbera

Chemistry Faculty Publications and Presentations

Student engagement is an important consideration when incorporating active learning activities into a classroom. To facilitate the large-scale assessment of students’ engagement in activities, a survey measure must first be developed and evaluated. Therefore, the goal of this study was to create a self-report measure of student engagement for use with active learning activities in general chemistry classes. The Activity Engagement Survey (AcES) was modified from an existing survey of engagement of middle and high school science students that contained behavioral, cognitive, emotional, and social engagement items. Multiple rounds of response process interviews and factor analyses were used to modify …

Phosphorylation Of The Aggregate-Forming Protein Alpha-Synuclein On Serine-129 Inhibits Its Dna-Bending Properties, Sydney E. Dent, Dennisha P. King, Valerie R. Osterberg, Eleanor K. Adams, Marilyn R. Mackiewicz, Tamily A. Weissman, Vivek K. Unni

Chemistry Faculty Publications and Presentations

Alpha-synuclein (aSyn) is a vertebrate protein, normally found within the presynaptic nerve terminal and nucleus, which is known to form somatic and neuritic aggregates in certain neurodegenerative diseases. Disease-associated aggregates of aSyn are heavily phosphorylated at serine-129 (pSyn), while normal aSyn protein is not. Within the nucleus, aSyn can directly bind DNA, but the mechanism of binding and the potential modulatory roles of phosphorylation are poorly understood. Here we demonstrate using a combination of electrophoretic mobility shift assay and atomic force microscopy approaches that both aSyn and pSyn can bind DNA within the major groove, in a DNA length-dependent manner …

Adverse Reactions In A Phase 1 Trial Of The Anti-Malarial Dm1157: An Example Of Pharmacokinetic Modeling And Simulation Guiding Clinical Trial Decisions, Stephen J. Balevic, Shruti M. Raja, Rachel Randall, Gregory A. Deye, Thomas Conrad, Aya Nakamura, David H. Peyton, Sandra Shotwell, Katherine May Liebman, Multiple Additional Authors

Chemistry Faculty Publications and Presentations

Introduction: There is an urgent need to develop new drugs to treat malaria due to increasing resistance to first-line therapeutics targeting the causative organism, Plasmodium falciparum (P. falciparum). One drug candidate is DM1157, a small molecule that inhibits the formation of hemozoin, which protects P. falciparum from heme toxicity. We describe a first-in-human, phase 1 trial of DM1157 in healthy adult volunteers that was halted early because of significant toxicity.

Methods: Adverse events were summarized using descriptive statistics. We used pharmacokinetic modeling to quantitatively assess whether the DM1157 exposure needed for P. falciparum inhibition was achievable at safe doses.

Results: …

Surface Modified Hybrid Znsno3 Nanocubes For Enhanced Piezoelectric Power Generation And Wireless Sensory Application, Sk Md Ali Zaker Shawon, Zaida D. Carballo, Valeria Suarez Vega, Chen Lin, Muhammad Sufian Rafaqut, Andrew Xu Sun, James Li, Mohammed Jasim Uddin

Chemistry Faculty Publications and Presentations

Piezoelectric Nanogenerators (PENGs), which can convert ambient mechanical stimuli into electrical energy, are held in high regard due to their cost-effectiveness, energy harvesting applications, and potential as self-powered sensors. We report an aluminum-doped zinc stannate (ZnSnO3) PENG that can achieve high electrical outputs with respect to the external force. In order to enrich the piezoelectric mechanics, a low-temperature solution method was adopted in our work to synthesize ZnSnO3 nanocubes with an average side length of only 30 – 55 nm. Furthermore, ZnSnO3 was doped with 1 wt% to 5 wt% of aluminum nanoparticles. We report that 2 wt% of aluminum …