Digital Commons Network^™

Near-Infrared Ratiometric Hemicyanine Fluorescent Probes For Monitoring Mitochondrial Ph Dynamics In Live Cells During Oxidative Stress And Hypoxia, Sushil K. Dwivedi, Dilka Liyana Arachchige, Adenike Olowolagba, Mohamed Mahmoud, Subash Pandey, Tara Vohs, Haiying Liu, Rudy Luck

Michigan Tech Publications

Novel near-infrared ratiometric molecules (probes A and B) produced by linking formyl-functionalized xanthene and methoxybenzene moieties, respectively, onto a xanthene-hemicyanine framework are detailed. Probe A exhibited a primary absorption peak at 780 nm and a shoulder peak at 730 nm and exhibited fluorescence at 740 nm↓ (signifies a downward shift in intensity upon acidification) in a pH 9.3 buffer and 780 nm↑ at pH 2.8 under excitation at 700 nm. Probe B featured absorptions at 618 and 668 nm at pH 3.2 and at 717 nm at pH 8.6, and fluorescence at 693 nm↑ at pH 3.2 and at 739 …

Research On Development Status And Strategy Of Advanced Materials In Guangdong-Hong Kong-Macao Greater Bay Area, Ziwei Zhao, Can Wang, Weihua Wang, Qingli Huang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Advanced materials are an important source of new quality productivity. Guangdong-Hong Kong-Macao Greater Bay Area is now facing the internal and external pressure of manufacturing upgrading, and there is an urgent need to play the leading and supporting role of advanced materials in the construction of modernized industrial system. This study combs through the basic situation of the development of materials science and industry in Guangdong-Hong Kong-Macao Greater Bay Area, analyzes its advantages, characteristics and problems in depth, and puts forward a number of suggestions around how to develop materials science, technology, and industry in the Greater Bay Area.

Synthesis Of Zno: Zro2 Nanocomposites Using Green Method For Medical Applications, Mohammed J. Tuama, Maysoon F. Alias

Karbala International Journal of Modern Science

These days, nanocomposites are very popular, especially in medical applications. The spread of diseases in general, and those caused by microbes and cancerous diseases in particular, and the increased resistance of these diseases to antibiotics, have led to the need for the rapid, low-cost, and environmentally friendly production of nanocomposites. To create the chemical G-ZnO: ZrO2 and S-ZnO: ZrO2 (green technique), two different plant extracts were utilized: Z. officinal and S. aromaticum. The effective synthesis and acceptable properties features of the nanoparticles were confirmed using characterization techniques such as X-ray diffraction (XRD), Fourier transform infrared (FTIR) , diffuse reflectance spectroscopy …

A Preliminary Fuzzy Inference System For Predicting Atmospheric Ozone In An Intermountain Basin, John R. Lawson, Seth N. Lyman

Mathematics and Statistics Faculty Publications

High concentrations of ozone in the Uinta Basin, Utah, can occur after sufficient snowfall and a strong atmospheric anticyclone creates a persistent cold pool that traps emissions from oil and gas operations, where sustained photolysis of the precursors builds ozone to unhealthy concentrations. The basin's winter-ozone system is well understood by domain experts and supported by archives of atmospheric observations. Rules of the system can be formulated in natural language ("sufficient snowfall and high pressure leads to high ozone"), lending itself to analysis with a fuzzy-logic inference system. This method encodes human expertise as machine intelligence in a more prescribed …

Uncovering The Pathway Of Serine Octamer Magic Number Cluster Formation During Electrospray Ionization: Experiments And Simulations., Vida Alinezhad, Yuen Ki Ng, Sanvid Mehta, Lars Konermann

Chemistry Publications

Electrospray ionization (ESI) of serine (Ser) solution generates Ser₈H⁺ as an abundant magic number cluster. ESI clustering of most other solutes yields nonspecific stoichiometries. It is unclear why Ser₈H⁺ dominates in the case of Ser, and how Ser₈H⁺ forms during ESI. Even the location of Ser₈H⁺ formation is contentious (in solution, in ESI droplets, or elsewhere). Here we unravel key aspects of the L-Ser₈H⁺ formation pathway. Harsh ion sampling conditions promote the collision-induced dissociation (CID) of regular ESI analytes. Unexpectedly, Ser₈H⁺ was …

Systematic Review On Isolation, Purification, Characterization, And Industrial Applications Of Thermophilic Microbial Α- Amylases, Rugaiyah A. Arfah, Sarlan Sarlan, Abdul Karim, Anita Anita, Ahyar Ahmad, Paulina Taba, Harningsih Karim, Siti Halimah Larekeng, Dorothea Agnes Rampisela, Rusdina Bte Ladju

Karbala International Journal of Modern Science

The α-amylase enzyme, sourced from diverse organisms, including plants, animals, and bacteria, plays a crucial role in multiple industries, notably food processing sectors like cakes, fruit juices, and starch syrup. Research identifies thermophilic organisms as prime sources of this enzyme thriving at temperatures ranging from 41°C to 122°C. The enzyme purification was carried out using liquid-liquid extraction, which involved the exchange of substances between two liquid phases that were immiscible or partially soluble. The optimal temperature for α-amylase was 45 to 90°C. The best pH for bacterial and fungal α-amylases ranged from 5.0 to 10.5 and 5.0 to 9.0. Based …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

The Effect Of Different Vegetable Oils (Macadamia Nut Oil And Walnut Oil) On The Coefficient Of Friction As A Finish For Oak Wood, Lee Dillon

Journal of the South Carolina Academy of Science

Slipping due to insufficient friction with flooring can cause fatal injuries in workplaces and homes. Oak wood flooring is commonly used in construction to build these environments. In the manufacturing process, wood finishing is conducted at the end of the process to strengthen the properties and longevity of the wood, although it could impact the coefficient of friction (COF) causing slip falls. Vegetable oils, such as macadamia nut and walnut oils, used as wood finishes have gained prominence due to their beneficial aspects to the environment. However, little is known about their effectiveness as a safe coating for wood floors. …

Cortisol And Alpha-Synuclein Stability In Saliva Under Varying Storage And Handling Conditions, Mo Zheng, Sujata Srikanth, Jeremiah Carpenter, Delphine Dean

Journal of the South Carolina Academy of Science

Parkinson’s disease (PD) is a progressive neurodegenerative disorder characterized by motor impairments and non-motor symptoms, significantly impacting patients' quality of life. Currently, cerebrospinal fluid (CSF) is the primary biofluid used for PD biomarker studies, notably α-synuclein, despite the invasive nature of lumbar puncture procedures. Recent work has shown that some of these PD biomarkers have been measured in saliva. As an alternative to CSF, saliva can be non-invasively self-collected by patients repeatedly over time to monitor biomarker levels. However, the stability of these biomarkers in saliva needs to be evaluated before saliva can be considered for patient self-collection studies. Therefore, …

Glaciation Of Mixed-Phase Clouds: Insights From Bulk Model And Bin-Microphysics Large-Eddy Simulation Informed By Laboratory Experiment, Aaron Wang, Steve Krueger, Sisi Chen, Mikhail Ovchinnikov, Will Cantrell, Raymond Shaw

Michigan Tech Publications

Mixed-phase clouds affect precipitation and radiation differently from liquid and ice clouds, posing greater challenges to their representation in numerical simulations. Recent laboratory experiments using the Pi Cloud Chamber explored cloud glaciation conditions based on increased injection of ice-nucleating particles. In this study, we use two approaches to reproduce the results of the laboratory experiments: a bulk scalar mixing model and large-eddy simulation (LES) with bin microphysics. The first approach assumes a well-mixed domain to provide an efficient assessment of the mean cloud properties for a wide range of conditions. The second approach resolves the energy-carrying turbulence, the particle size …

Destiny Functional Theory (Dft) Study Of Water Autoionization In Solvated Clusters, Kurt Kolasinski, Alex M. Salkowski

Chemistry Faculty Publications

We have implemented a cluster-continuum method using density functional theory (DFT) to model water clusters and various charged species derived from water. Two aims of this study are to determine the minimal basis required for proper modeling of water autoionization and the minimum number of explicit water molecules that are required to properly model the energetics of solvation. The thermodynamics of water autoionization converge following a modified power law to deliver chemically accurate values of the Gibbs energy change for autoionization with tractably small clusters. Convergence is slower and not exponential as assumed in previous work. We identify the n …

Alphafold2 Modeling And Molecular Dynamics Simulations Of The Conformational Ensembles For The Sars-Cov-2 Spike Omicron Jn.1, Kp.2 And Kp.3 Variants: Mutational Profiling Of Binding Energetics Reveals Epistatic Drivers Of The Ace2 Affinity And Escape Hotspots Of Antibody Resistance, Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

AlphaFold2-based atomistic predictions of structures and conformational ensembles of the SARS-CoV-2 spike complexes with the host receptor ACE2 for the most dominant Omicron variants JN.1, KP.1, KP.2 and KP.3 to examine the mechanisms underlying the role of convergent evolution hotspots in balancing ACE2 binding and antibody evasion. Using the ensemble-based mutational scanning of the spike protein residues and computations of binding affinities, we identified binding energy hotspots and characterized the molecular basis underlying epistatic couplings between convergent mutational hotspots. The results suggested the existence of epistatic interactions between convergent mutational sites at L455, F456, Q493 positions that protect and restore …

Enhancing Cardiomyocyte Resilience To Ischemia-Reperfusion Injury: The Therapeutic Potential Of An Indole-Peptide-Tempo Conjugate (Iptc), Shanshan Hou, Xin Yan, Xiang Gao, Steffen Jockusch, K. Michael Gibson, Zhiying Shan, Lanrong Bi

Michigan Tech Publications

Ischemia/reperfusion (I/R) injury leads to apoptosis and extensive cellular and mitochondrial damage, triggered by the early generation and subsequent accumulation of mitochondrial reactive oxygen species (mtROS). This condition not only contributes to the pathology of I/R injury itself but is also implicated in a variety of other diseases, especially within the cardiovascular domain. Addressing mitochondrial oxidative stress thus emerges as a critical therapeutic target. In this context, our study introduces an indole-peptide-tempo conjugate (IPTC), a compound designed with dual functionalities: antioxidative properties and the ability to modulate autophagy. Our findings reveal that IPTC effectively shields H9C2 cardiomyocytes against hypoxia/reoxygenation (H/R) …

Breakthrough Conductivity Enhancement In Deep Eutectic Solvents Via Grotthuss-Type Proton Transport, Desiree Mae Prado, Clemens Burda, Anthony Jahng, Kayla Poling

Faculty Scholarship

There is an increasing demand for the development of ion-conducting electrolytes for energy storage systems. Much attention is directed toward deep eutectic solvents as potential candidates. In the search for highly conductive systems, the possibility of designing deep eutectic solvents with Grotthuss-type proton transport is widely overlooked. Herein, ethaline, a mixture of choline chloride and ethylene glycol is used in a 1:2 molar ratio, to induce a significant conductivity increase with the addition of water and sulfuric acid (H₂SO₄). The achieved breakthrough conductivity is analyzed experimentally and simulated with ab initio molecular dynamics (AIMD). At sufficient water content, an H-bonding …

C-H Amination Chemistry Mediated By Trinuclear Cu(I) Sites Supported By A Ligand Scaffold Featuring An Arene Platform And Tetramethylguanidinyl Residues, Meenakshi Sharma, Reece M. Fritz, Himanshu Bhatia, Joseph O. Adebanjo, Zhou Lu, Mohammad A. Omary, Thomas R. Cundari, Amitava Choudhury, Pericles Stavropoulos

Chemistry Faculty Research & Creative Works

Tripodal ligands that can encapsulate single or multiple metal sites in C3-symmetric geometric configurations constitute valuable targets for novel catalysts. Of particular interest in ligand development are efforts toward incorporating apical elements that exhibit little if any electron donicity, to enhance the electrophilic nature of a trans positioned active oxidant (e.g., metal-oxo, -nitrene). The tripodal ligand TMG3trphen-Arene has been synthesized, featuring an arene platform 1,3,5-substituted with phenylene arms possessing tetramethylguanidinyl (TMG) residues. Compound [(TMG3trphen-Arene) Cu₃(μ-Cl)₃] has been subsequently synthesized by extracting a Cu₃(μ-Cl)₃ cluster from anhydrous CuCl and shown to encapsulate a crown-shaped …

Development And Benchmark Of Polarizable Models For Ions, Luke Landry

Dissertations

Metalloproteins are ubiquitous in biology, playing crucial roles in diverse processes. Meanwhile, molecular simulations have become an important tool in scientific research. To accurately simulate metalloprotein systems, accounting for polarization and charge transfer effects is required. The fluctuating charge (FQ) model can effectively simulate the charge transfer effect, but the existing models often lack specificity for metalloproteins. In our research, a tailored FQ model for zinc-containing metalloproteins, leveraging the extended charge equilibration (EQeq) scheme, was introduced. CM5 charges were used as the target in our model parameterization, which offers advantages over RESP/CHELPG charges. Most notably, CM5 charges hold independence over …

Improving Ligand Pharmacokinetics Via Bioisosteric Substitution Of Amides With 1, 2, 3-Triazoles While Maintaining Dopamine D4 Receptor Selectivity And Potency, Mohammad Alkhatib

Theses and Dissertations

Several neurophysiological functions, such as attention, cognition, and emotional regulation, are regulated by the binding of dopamine on G-Protein coupled receptors. D4Rs are mainly located in the prefrontal cortex and the hippocampus and are known to have a key role in decision-making, memory formation, cognition, and attention. Administration of D4Rs- selective ligands during the preclinical studies enhance the outcomes and the results in animal models suffering from neuropsychiatric disorders, including ADHD, substance use disorders (SUD), and Alzheimer's disease. Recently, we reported a group of D4R-selective ligands with different efficacies depending on their phenylpiperazine ring scaffold to illustrate D4R function during …

A Practical Guide To Light-Sheet Microscopy For Nanoscale Imaging: Looking Beyond The Cell, Stephanie N. Kramer, Jeanpun Antarasen, Cole R. Reinholt, Lydia Kisley

Faculty Scholarship

We present a comprehensive guide to light-sheet microscopy (LSM) to assist scientists in navigating the practical implementation of this microscopy technique. Emphasizing the applicability of LSM to image both static microscale and nanoscale features, as well as diffusion dynamics, we present the fundamental concepts of microscopy, progressing through beam profile considerations, to image reconstruction. We outline key practical decisions in constructing a home-built system and provide insight into the alignment and calibration processes. We briefly discuss the conditions necessary for constructing a continuous 3D image and introduce our home-built code for data analysis. By providing this guide, we aim to …

Potential Nec2/Nek1 Inhibitor And Inh1 Analog N-[4-(2,4-Dimethylphenyl)-2-Thiazolyl]-4-Pyridinecarboxamide Via Hantzsch Thiazol Condensation, Robert E. Lee Sr, Isabella G. Mcdonald, Paige E. Heiple, Lukas D. Shelton

Journal of the South Carolina Academy of Science

The potential active pharmaceutical ingredient (API), N-[4-(2,4-Dimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide (6) is a cancer cell metabolism mitosis inhibitor via the Nek2 and Hec1 enzymes. The three-step synthesis starts with the bromination of 1-(2,4-dimethylphenyl)ethan-1-one (1) using CuBr₂ to produce 2-bromo-1-(2,4-dimethylphenyl)ethan-1-one (2) with a yield of 90%.[i]^,[ii],[iii] Followed by Hantzsch thiazol ring synthesis as (2) reacts with thiourea (3) and, resulting in 4-(2,4-dimethylphenyl)thiazol-2-amine (4)[iv] in 80% yield. Finally, isonicotinoyl chloride hydrochloride (5) and (4) reacted to form the amide (6).[v]^{,[vi],[vii],[viii],[ix],[x]} Characterization of the final product was determined …

Examination Of Oncogenic Effects Of Environmental Pollutants, Andrew Ackerman, Matthew Behling, Brock Earley, Janay Vacharasin

Journal of the South Carolina Academy of Science

Chemical byproducts produced by surrounding industrial complexes have polluted the local estuaries of Georgetown, South Carolina for several decades¹. Previous studies completed by the EPA and SCDNR showed that the estuaries contained carcinogenic pollutants released from the local manufacturing plants¹. One of the mentioned pollutants was dioxins which are produced during the paper bleaching process². Dioxins are highly toxic compounds that have various carcinogenic effects on the organisms that inhabit the area. These previous studies were conducted over thirty years ago. Therefore, a current study to determine if chemical byproducts are contaminating local estuaries …

Striatal Beat Frequency Interval Timing Model With Microgravity Stressor, Jason Michael Fitzgerald, Sorinel Oprisan

Journal of the South Carolina Academy of Science

The Striatal Beat Frequency (SBF) model of interval timing uses frontal cortex (FC) neural oscillations to record the state of the brain at the reinforcement time Tc during fixed interval (FI) procedures in the long-term memory (LMEM). The state of the FC oscillators at any given time is stored in a short-term memory (SMEM) buffer. The SBF model uses the spiny neurons of the basal ganglia (BG) as coincidence detectors to produce beats between the content of the SMEM and LMEM. Across multiple species that can perform interval timing, there are two invariant properties: (a) the timing is precise, and …

Development And Validation Of A Chemistry Laboratory Safety Knowledge, Attitudes, Practices, And Mindset Questionnaire, Claudine Garcia, Genejane Adarlo, Anna Carissa San Esteban, Armando M. Guidote

Health Sciences Faculty Publications

Accidents in chemistry laboratories can be prevented by fostering a safety culture - the institution’s knowledge, attitudes, practices (KAP), and mindset regarding laboratory safety. To effectively promote a safety culture, robust tools are essential for evaluating safety KAP and mindset. Hence, this study developed and validated a questionnaire that can rapidly measure laboratory safety KAP and mindset to guide targeted interventions aimed at enhancing the safety culture in chemistry laboratories. The study was drawn from existing validated questionnaires in constructing a tool comprising 40 items that can measure the safety KAP and mindset in chemistry laboratories. Using a cross-sectional design, …

Editorial Commentary On The Special Issue “Antioxidant Therapy For Cardiovascular Diseases”—Cutting-Edge Insights Into Oxidative Stress And Antioxidant Therapy In Cardiovascular Health, Guim Kwon, K. Michael Gibson, Lanrong Bi

Michigan Tech Publications

No abstract provided.

A Convenient Synthesis Of Short Α-/Β-Mixed Peptides As Potential Α-Amylase Inhibitors, Naeem Ahmed, Fakhira Razzaq, Muhammad Arfan, Mansour K. Gatasheh, Hammad Nasir, Joham Sarfraz Ali, Hamna Hafeez

Michigan Tech Publications

Over the last decades, the increased incidence of metabolic disorders, such as type two diabetes and obesity, has motivated researchers to investigate new enzyme inhibitors. Inhibition of the α-amylase enzyme is one therapeutic approach in lowering glucose levels in the blood to manage diabetes mellitus. The objective of this study was to synthesize short α-/β-mixed peptides in the solution phase. The Boc-protected α-L-leucine was converted to β-analogue by using Arndt–Eistert synthesis with the advantage of no racemization and retention of configuration. Three novel short peptides were successfully synthesized: N(Boc)-Gly-β-Leu–OCH3(14), N(Boc)-O(Bz)α-Ser-β-Leu–OCH3(16), and N(Boc)-O(Bz)-α-Tyr-α-Gly-β-Leu–OCH3(17), characterized by FTIR and 1H NMR analysis. The …

Microfiltration Membrane Pore Functionalization With Primary And Quaternary Amines For Pfas Remediation: Capture, Regeneration, And Reuse, Sam Thompson, Angela Gutierrez, Jennifer Bukowski, Dibakar Bhattacharyya

UK CARES Faculty Publications

The widespread production and use of multi-fluorinated carbon-based substances for a variety of purposes has contributed to the contamination of the global water supply in recent decades. Conventional wastewater treatment can reduce contaminants to acceptable levels, but the concen- trated retentate stream is still a burden to the environment. A selective anion-exchange membrane capable of capture and controlled release could further concentrate necessary contaminants, mak- ing their eventual degradation or long-term storage easier. To this end, commercial microfiltration membranes were modified using pore functionalization to incorporate an anion-exchange moiety within the membrane matrix. This functionalization was performed with primary and …

Highly Toxic Aβ Begets More Aβ, Merc M. Kemeh, Noel Lazo

Chemistry

No abstract provided.

Investigation Of Temperature, Solution Strength, And Applied Stress Effects On Cation Exchange Processes In Different Geosynthetic Clay Liner Products, Kendra Fuller

Master's Theses

An extensive laboratory test program was conducted to analyze and compare the cation exchange processes in three different varieties of sodium bentonite (Na-B) geosynthetic clay liners (GCLs) over increased conditioning durations up to 32 days and investigate the effects of temperature, solution strength, and applied stress. The goal of this test program was to establish whether the variables of temperature, solution strength, and applied stress improved or degraded the engineering properties of GCLs in laboratory testing and municipal solid waste (MSW) landfill applications. The GCLs were conditioned in liquids of increasing ionic strength, using deionized water and 2, 50, and …

The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait, Camille Ferrer

Art Conservation Master's Projects

A severely damaged 19th-century oil painting depicting a portrait of a woman was treated at Patricia H. and E. Garman Art Conservation Department. A typed letter provided by the owner mentioned that it has been previously restored yet returned with unsatisfactory results. After further examination, the painting appeared to have been previously treated multiple times by different people. There was overpaint distinctly present on the face and later discovered to be present overall. The full state of condition of the painting was initially unknown due to the sum of the surface being overpainted. However, there were evidence of paint loss …

The Conservation Treatment And Technical Study Of Two Marisol Sculptures, Ruthie Rolfsmeyer

Art Conservation Master's Projects

ABCDEFG & Hi (1961-62) and Father Damien (1966-67) are both painted wooden sculptures created by Marisol during the height of her fame. Although Marisol is a well-known artist, whose fame has been rekindling since her death in 2016, there have been few technical studies of her works. Multimodal imaging and scientific analysis of these two sculptures provide insight into their structure and materials. Techniques include x-ray radiography, reflectance transformation imaging, x-ray fluorescence spectroscopy, Fourier transform infrared spectroscopy, and pyrolysis-gas chromatography-mass spectrometry. Key findings include the identification of toolmarks, nitrocellulose, alkyd, and acrylic paints, and a genuine diamond and pearl in …

Drying Techniques For Precooked Hybrid Rice To Ensure Quality Of Instantized Rice, Anne Adhiambo Okeyo, Kaushik Luthra, Justin Siebenmorgen, Alan R. Vazquez, Griffiths Atungulu

Food Science Faculty Publications and Presentations

Background and Objectives

Due to the emergence of new hybrid rice cultivars, rice processors must refine their processing protocols to maintain the production of high-quality products. This is crucial for the instant rice processing industry. Therefore, this study aims to refine current convective heated air-drying processing methods to suit the new hybrid rice cultivars intended for instant rice production. New strategies to dry cooked rice were investigated. These included drying in a stepwise manner with high (230–200°C) and medium (190–160°C) air temperatures and drying at constant high (200°C) and medium (160°C) air temperatures. Changes in quality attributes of two new …