Chemistry Commons^™

Spatial Metabolomics Reveals Glycogen As An Actionable Target For Pulmonary Fibrosis, Lindsey R. Conroy, Harrison A. Clarke, Derek B. Allison, Samuel Santos Valenca, Qi Sun, Tara R. Hawkinson, Lyndsay E. A. Young, Juanita E. Ferreira, Autumn V. Hammonds, Jaclyn B. Dunne, Robert J. Mcdonald, Kimberly J. Absher, Brittany Dong, Ronald C. Bruntz, Kia H. Markussen, Jelena A. Juras, Warren J. Alilain, Jinze Liu, Matthew S. Gentry, Peggi M. Angel, Christopher M. Waters, Ramon C. Sun

Saha Cardiovascular Research Center Faculty Publications

Matrix assisted laser desorption/ionization imaging has greatly improved our understanding of spatial biology, however a robust bioinformatic pipeline for data analysis is lacking. Here, we demonstrate the application of high- dimensionality reduction/spatial clustering and histopathological annotation of matrix assisted laser desorption/ionization imaging datasets to assess tissue metabolic heterogeneity in human lung diseases. Using metabolic features identified from this pipeline, we hypothesize that metabolic channeling between glycogen and N-linked glycans is a critical metabolic process favoring pulmonary fibrosis progression. To test our hypothesis, we induced pulmonary fibrosis in two different mouse models with lysosomal glycogen utilization deficiency. Both mouse models displayed …

College Of Natural Sciences Newsletter, March - May 2023, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volume 4, Issue 2

Page 1 Dean's Message
Page 2-7 Awards and Recognition
Page 8 March 3rd Corothers Seminar
Page 9 54th Geography Convention
Page 10 Spring 2023 Day of Scholars
Page 11 2023 URSCAD Snaps
Page 12-14 Media Coverage of CNS
Page 15 Open PRAIRIE Data

Developing And Applying Computational Methods On Biomolecules, Shengjie Sun

Open Access Theses & Dissertations

Computational biophysics is an interdisciplinary subject that uses numerical algorithms to study the physical principles underlying biological phenomena and processes. Electrostatic interactions play an important role in computational molecular biophysics and their potential impact on disease mechanisms. At distances larger than several Angstroms, electrostatic interactions dominate all other forces, while the alteration of short-range electrostatic pairwise interactions can also have significant effects. The dual nature of electrostatic interactions, being dominant at long-range and specific at short-range, underscores their profound implications for wild-type structure and function. Any disruption of the complex electrostatic network of interactions may abolish wild-type functionality and could …

Quantum Chemistry–Machine Learning Approach For Predicting Properties Of Lewis Acid–Lewis Base Adducts, Hieu Huynh, Thomas J. Kelly, Linh Vu, Tung Hoang, Phuc An Nguyen, Tu C. Le, Emily Jarvis, Hung Phan

Chemistry and Biochemistry Faculty Works

Synthetic design allowing predictive control of charge transfer and other optoelectronic properties of Lewis acid adducts remains elusive. This challenge must be addressed through complementary methods combining experimental with computational insights from first principles. Ab initio calculations for optoelectronic properties can be computationally expensive and less straightforward than those sufficient for simple ground-state properties, especially for adducts of large conjugated molecules and Lewis acids. In this contribution, we show that machine learning (ML) can accurately predict density functional theory (DFT)-calculated charge transfer and even properties associated with excited states of adducts from readily obtained molecular descriptors. Seven ML models, built …

Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel

Honors Scholar Theses

Among structural biology techniques, Nuclear Magnetic Resonance (NMR) provides a holistic view of structure that is close to protein structure in situ. Namely, NMR imaging allows for the solution state of the protein to be observed, derived from Nuclear Overhauser Effect restraints (NOEs). NOEs are a distance range in which hydrogen pairs are observed to stay within range of, and therefore experimental data which computational models can be compared against. To that end, we investigated the effects of adding the NOE restraints as distance restraints in Molecular Dynamics (MD) simulations on the 24 residue HP24stab derived villin headpiece subdomain to …

Determination Of Cadmium Uptake In Crassostrea Virginica Shell Under Controlled Conditions, Joseph John Pavelites Ii

Graduate Theses and Dissertations (2019 - present)

The objective of this thesis was to meet growing demand for the development of environmental biomonitors that protect ecosystems and public health. To do this, I determined the potential of oyster shell as a bioindicator of cadmium (Cd) in the environment by determining the mode of Cd uptake and relationships between Cd concentrations in the environment, shell, and soft tissues of juvenile eastern oysters (Crassostrea virginica Gmelin). I performed a review of the literature on the ability of oyster shell to retain metal contaminants and the factors that could affect this process (Chapter 2). I then reared C. virginica …

Non-Destructive Imaging Of Phytosulfokine Trafficking In Plants Using Fiber-Optic Fluorescence Microscopy, Bernard Abakah

Electronic Theses and Dissertations

Plants secrete peptide ligands and use receptor signaling to respond to stress and control development. Understanding these phenomena is key to improving plant health and productivity for food, fiber, and energy applications. Phytosulfokine (PSK), a sulfated peptide hormone, regulates plant cell division, growth, and stress tolerance via specific phytosulfokine receptors (PSKRs). This study uses fiber-optic fluorescence microscopy to elucidate trafficking of PSK in live plants. The microscope features two-color optics and an objective lens connected to a 1-m coherent imaging fiber mounted on either a conventional upright microscope body or 5-axis positioning system (X–Y–Z plus pitch and yaw). PSK and …

The Role Of Sars-Cov-2 Orf8 Protein Arks Motif On Novobiocin Binding, Si Chun Chiu, My T. Nguyen

Celebrating Scholarship and Creativity Day (2018-)

The discovery of the SARS-CoV-2 virus during the COVID-19 pandemic required scientists to develop medical solutions to reduce infectivity, severity of symptoms, and death. Although vaccines and drugs provided urgent assistance, the need to continue developing better drugs is necessary long term, and understanding the structure of the virus and finding potential inhibitors would prove vital to discovering solutions to this worldwide health problem. This experimental project focuses on targeting the unique accessory protein, Open Reading Frame 8 (ORF8) in SARS-CoV-2 through studying its interactions with a repurposable drug, novobiocin. Importantly, ORF8 specializes in helping evade immune system checks by …

Actualistic Testing Of The Influence Of Groundwater Chemistry On Degradation Of Collagen I In Bone, Paul Ullmann, Kristyn K. Voegele, Kenneth Lacovara

School of Earth & Environment Departmental Research

Recent experiments have heightened our understanding of reactions which can stabilize biomolecules during early diagenesis, yet little remains known about how groundwater chemistry can aid or hinder molecular preservation within a bone through geologic time. To elucidate this issue, we conducted actualistic experiments of bone decay employing varied fluid compositions to simulate a suite of groundwaters. Modern domestic chicken (Gallus gallus) femora were placed in a matrix of compositionally- and texturally-mature, fluvially-deposited sand. To simulate groundwater flow, deionized water or solutions enriched in calcium carbonate, phosphate, or iron were percolated through separate trials for a period of 90 days. After …

Toward The Design, Synthesis, And Characterization Of Abiotic Coiled-Coil Peptides Via Solid-Phase Copper-Catalyzed Azide-Alkyne Cycloaddition (Sp-Cuaac) Click Reaction For The Preparation Of Controlled Self-Assembly Molecular Building Block, Liaquat Ali

Chemistry Theses

The production of cutting-edge materials, the development of novel medications, drug delivery systems, technological advancements, and biosynthesizing all depend on molecular building blocks. Proteins are required for the creation of intricate, well-organized structures, and coiled-coil protein domains are vital subunits for the oligomerization of protein complexes, gene expression, and the structural components of biological materials. The numerous interactions between a wide variety of amino acids make it difficult to assemble protein complexes with a particular shape. In the current study, we successfully designed and synthesized four different 32-residue peptides, each of which had two modified amino azide residues. These peptides …

Utilizing Macroinvertebrate Communities And Chloride Levels To Evaluate Water Quality In Three Streams Near Winona, Minnesota, Amelia Engman, Izabella Setla

Research & Creative Achievement Day

Certain water quality and chloride levels are ideal for specific macroinvertebrate species. This study evaluates the water quality of three streams in and around Winona, Minnesota, using the macroinvertebrate communities present and chloride levels as indicators. Three upstream samples were taken and thoroughly examined at three different locations: Garvin Brook, Gilmore Creek, and Pleasant Valley Creek. During the snowmelt season, four sets of upstream and one set of downstream water samples were taken from each. The samples were analyzed using a Vernier chloride ion-selective electrode. The Izaak Walton League of America's Save Our Streams invertebrate classification system was used to …

Volume 14, Ireland Seagle, Dalton C. Whitby, Cassandra Poole, Rachel Cannon, Heidi Parker-Combes, Devon G. Shifflett, Antonio Harvey

Incite: The Journal of Undergraduate Scholarship

Table of Contents:

• Introduction: Dr. Amorette Barber
• From the Editor: Dr. Larissa "Kat" Tracy
• From the Designers: Rachel English, Rachel Hanson
• Hungry Like the Wolf: The Wolf as Metaphor in Paramount Network’s Yellowstone: Ireland Seagle
• “Floating Cities”: Illustrating the Commercial and Conservation Conflict of Alaskan Cruise Ship Tourism: Dalton C. Whitby
• What Can You Do When Your Genes are the Enemy? Current Applications of Gene Manipulation and the Associated Ethical Considerations: Cassandra Poole
• La doble cara: un tema romántico en las obras de Larra y Hawthorne: Rachel Cannon
• Resolving a Conflict: How to …

Study Of Protein Extraction Techniques For M. Foliorum Phages, Lola Sibaud, Anna Elgersma

Student Academic Conference

Characterizing phages is becoming increasingly important in biochemistry and biotechnology due to their potential to treat bacterial infections without need for antibiotics. Last year, students attempted to isolate proteins from Microbacterium foliorum infecting phages Babydotz and Rosadiaz. Proteins were successfully extracted; however, after further analysis it was shown that the obtained proteins belonged to the host bacteria and not the phages. The purpose of this study was to find a method to separate phage from host bacterial debris to successfully isolate phage proteins and analyze them later. Isolating phage proteins could help us characterize more phages and know more about …

Activation Of Nrf2 Pathway By Natural Products, Genesis Schat, Madelyn Sedlachek

Liberty University Research Week

Undergraduate

Basic

The Science Of Baking Bread, Admin Stem For Success

STEM for Success Showcase

Activity plan to teach biology and chemistry using a lesson on the baking of bread.

The Coastal Monitor: Vol. 10 No. 1, John Tanacredi Ph.D.

The Coastal Monitor

New Year’s Day has always been, for me, a time to reflect and project into the near future. Nature’s influence on us all certainly tops my listing with several environmental concerns. For example, the frequency and intensity of hurricanes to Long Island. A decade has passed since Superstorm Sandy re-opened the “Old Inlet” on Long Island which now has mostly naturally closed. So, the new year immediately prompts me to assess the previous year’s Hurricane Ian, a Category 4 system, with winds exceeding 150 mph, which had considerable impact in Florida, and then proceeded north resulting in over 2 inches …

Investigation Of Cofactor Activities Of Endothelial Microparticle- Thrombomodulin With Liposomal Surrogate, Valentinas Gruzdys, Lin Wang, Dan Wang, Rachel Huang, Xue-Long Sun

Chemistry Faculty Publications

Thrombomodulin (TM) is a type I transmembrane glycoprotein mainly expressed on the endothelial cells, where it binds thrombin to form the thrombin-TM complex that can activate protein C and thrombin-activable fibrinolysis inhibitor (TAFI) and induce anticoagulant and anti-fibrinolytic reactions, respec-tively. Cell activation and injury often sheds microparticles that contain membrane TM, which circulate in biofluids like blood. However, the biological function of circulating microparticle-TM is still unknown even though it has been recognized as a biomarker of endothelial cell injury and damage. In comparison with cell membrane, different phospholipids are exposed on the microparticle surface due to cell membrane "flip-flop"upon …

Aloe Barbadensis Rinds Employ Physical And Chemical Defense Mechanisms Against Insect Herbivores With Varying Success, Zachary Johnson, Ishveen Kaur, Fernando Castillo, Rupesh R. Kariyat, Debasish Bandyopadhyay

School of Integrative Biological & Chemical Sciences Faculty Publications

Plants deter herbivory through a suite of physical and chemical defenses. While most studies have focused on understanding one or the other, efficient plant defense against herbivory is often cumulative. To examine this, we used Aloe barbadensis (Asphodelaceae) as a model, since in natural settings, the species is found to be well-defended against insect herbivores. To start with, we hypothesized that the epicuticular wax potentially plays an important role in herbivore defense as the major physical defense. To test our hypothesis, we conducted bioactivity-guided extraction and polarity-based fractionation of A. barbadensis rinds. We then mixed them into an artificial diet, …

Simulating A Flexible Water Model As Rigid: Best Practices And Lessons Learned, Raymond Weldon, Feng Wang

Chemistry & Biochemistry Faculty Publications and Presentations

Two ways to create rigid versions of flexible models are explored. The rigid model can assume the Model’s Geometry (MG) as if the molecule is not interacting with any other molecules or the ensemble averaged geometry (EG) under a particular thermodynamic condition. Although the MG model is more straightforward to create, it leads to relatively poor performance. The EG model behaves similarly to the corresponding flexible model (the FL model) and, in some cases, agrees even better with experiments. While the difference between the EG and the FL models is mostly a result of flexibility, the MG and EG models …

Phenotypic And Target-Based Drug Discovery, Angelica Veronica Carmona

Theses & Dissertations

Batten Disease or Neuronal Ceroid Lipofuscinosis (NCL) is a group of rare, fatal, inherited pediatric neurodegenerative lysosomal storage disorders. NCLs are characterized by intracellular accumulation of an auto-fluorescent lipopigment called ceroid lipofuscin and neurodegeneration. Several forms of NCLs exist, some of which share some of the same features and symptoms but vary in severity and onset of symptoms with respect to age. Some common symptoms include progressive loss of vision, mental and motor deterioration, epileptic seizures, premature death, and in the rare adult-onset, dementia. Subtypes of NCLs occur when one of 13 different genes are mutated, and only two subtypes …

Toward The Yeast Surface Display Of Microviridin B, Jillian Leigh Stafford

Chemistry and Chemical Biology ETDs

Humans have turned to natural products for medicinal therapeutics for millennia. In recent years, the ribosomally synthesized and post-translationally modified peptide (RiPP) class of natural products have garnered a lot of attention due to their ability for heterologous expression, relative ease of mutation, and vast biological activates. Microviridins are a family of RiPPs that contain a tricyclic cage-like structure through the formation of two lactone rings and one lactam ring catalyzed by two ATP-grasp ligase family enzymes. Microviridins are potent inhibitors of serine proteases and mutational studies of a small number of residues indicates the potential of peptide engineering protease …

Interdisciplinary Diffusion Lab, Sable Rosana Canales, Chloe Gaban

Andrews University Teaching and Learning Conference

Diffusion is a principle in Physics, Chemistry, and Biology. Students can model the rate of diffusion based on particle size by contrasting blue and yellow dyes. Two petri dishes containing agar-agar receive a drop of dye at the center. The radius of expansion is recorded over time and variance increases linearly with time. Diffusion constants vary by particle size, allowing for a size ratio comparison between blue and yellow dyes. Relating the data to cells, students predict that smaller molecules diffuse into living cells, whereas larger molecules need some assistance from protein channels as in facilitated diffusion.

Traffic Lights For Catalysis: Stimuli-Responsive Molecular And Extended Catalytic Systems, Grace C. Thaggard, Johanna Haimeri, Roland A. Fischer Prof. Dr., Kyoung Chul Park, Natalia B. Shustova Prof. Dr.

Faculty Publications

The advances made in the field of stimuli-responsive catalysis during the last five years with a focus on the novel recently-emerged directions and applications have been surveyed. Metal-free catalysts and organometallic complexes, as well as biomimetic systems and extended structures, which display switchable catalytic activity for a variety of organic transformations, are discussed. Light-activated systems comprised of photochromic molecules capable of modulating reaction rate, yield, or enantioselectivity based on geometric and electronic changes associated with photoisomerization are the focus of the detailed discussion. Alternative stimuli, including pH and temperature, which could be applied either alone or in combination with light, …

Application Of The Recitation Method To Improve The Competence Of Medical Laboratory Technology Students In The Immunology Field, Patricia Gita Naully, Perdina Nursidika

Jurnal Pendidikan Sains

An accredited mid-level MLT (Medical Laboratory Technology) must have the competence to perform medical laboratory examinations from pre-analytic, analytic, and post-analytic stages in several fields, one of which is immunology. Many D3 MLT students are facing obstacles to passed the immunology course. This obstacle is not only experienced by students of D3 MLT but also by medical students, pharmacy students, and similar majors. The purpose of this research is to determine the effect of recitation method in the form of animation video making and immunology based device on the competence of Diploma 3 (D3) MLT students. This research is a …

Using Augmented Reality For Geometry Learning: Indonesian Elementary School Teachers' Experiences, Asep Nuryadin, Karlimah Karlimah, Dindin Abdul Muiz Lidinillah, Ika Fitri Apriani, Ikairn Rachmawati Putri, Lilis Susilawati, Ginna Islamiati, Dede Nurhidayah

Jurnal Pendidikan Sains

This study aims to discover Indonesian elementary school teachers' experiences (n = 257) of using Augmented Reality (AR) for learning, especially related to one of the topics in mathematics learning, namely, geometry. AR is considered to be an alternative instructional media that can be utilized for teaching geometry, including the topic of three-dimensional shapes. A questionnaire consisting of both close-ended and open-ended questions was used to collect data in this study. This study has successfully revealed teachers' use of digital instructional media during the COVID-19 pandemic, their familiarity with AR, frequency of AR use for geometry learning, and challenges in …

Epistemological Obstacles Of Students In Accomplishing Hots Tests According To Field-Dependent Cognitive Style, Widi Candika Pakaya, Fattah Hanurawan

Jurnal Pendidikan Sains

The main goal of this study is to describe the epistemological obstacles faced by students with field-dependent cognitive styles when attempting to solve HOTS questions. This study uses a qualitative-descriptive methodology. The instruments used are cognitive style tests and HOTS questions. Data is collected through interviews and student work. The research subjects were two participants in third-semester PGSD students at Universitas Negeri Gorontalo. In this study, the data were analyzed by identifying the answers of two respondents to the indicators of epistemological barriers that had been done by the students and then interviewing the respondents. The results of this study …

Ecoliteracy Analysis And Science Teaching Materials: A Survey In Junior High Schools, Ghina Nisrina Ramadhanti, Indarini Dwi Pursitasari, Indriyani Rachman

Jurnal Pendidikan Sains

The study aims to analyze ecoliteracy and the teaching materials required for 21st century learning these days. The study employs the survey method by involving population of 104 junior high school students in grade VIII in Bogor City. The data are collected using ecoliteracy tests and interviews and analyzed using descriptive statistics techniques. The results showed that 48 students (46.15%) fall into the category of lacking ecoliteracy cognitive competence. The results of the questionnaire on the competence of attitudes, skills, and human relations with nature fall into the medium category. Therefore, in order to support the improvement of students’ ecoliteracy, …

The Influence Of The 5e Learning Cycle Strategy With A Link Map On Students' Mastery Of Physics Concepts And Science Process Skills, Dian Farida Rosanti, Markus Diantoro, Sentot Kusairi, Erni Yulianti

Jurnal Pendidikan Sains

Link maps help students correlate interconcepts in order to facilitate students mastery of the concept learned. The researcher accompanied the link map in learning to find out its effect on concept mastery and students science process skills. This study used a quasi-experimental research design by providing a posttest only for the control group. The sample consisted of two classes, divided into an experimental class and a control class. The experimental class was taught using the 5E learning cycle strategy accompanied by a link map, and the control class was taught using the 5E learning cycle strategy only. The results of …

Stabilizing G-Quadruplex Dna And Rna Structures With Ionic Liquids, Timothy Vaden

College of Science & Mathematics Departmental Research

Stabilizing DNA and RNA for long-term room-temperature storage is important for many biotechnological applications including oncology pharmaceuticals and mRNA-based vaccines (e.g. Covid vaccines). This poster shows that ionic liquids can improve the thermal stability of G-quadruplex DNA and RNA structures, and motivates further studies of ionic liquid-based materials for DNA / RNA stabilization.

Damped Oscillating Phosphoryl Transfer Reaction In The Cyanobacterial Circadian Clock, Hye In Jang, Pyonghwa Kim, Yongick Kim

Chemistry Faculty Research

Most organisms have circadian clocks to ensure the metabolic cycle to resonate with the rhythmic environmental changes without “damping,” or losing robustness. Cyanobacteria is the oldest and simplest form of life that is known to harbor this biological intricacy. Its KaiABC-based central oscillator proteins can be reconstituted inside a test tube, and the post-translational modification cycle occurs with 24 h periodicity. KaiC’s two major phosphorylation sites, Ser-431 and Thr-432, become phosphorylated and dephosphorylated by interacting with KaiA and KaiB, respectively. Here, we mutate Thr-432 into Ser to find the oscillatory phosphoryl transfer reaction damps. Previously, this mutant KaiC was reported …