Digital Commons Network^™

Emergence Of Non-Hexagonal Crystal Packing Of Deswollen And Deformed Ultra-Soft Microgels Under Osmotic Pressure Control, Molla R. Islam, Rachel Nguyen, L. Andrew Lyon

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Highly solvent swollen poly(N-isopropylacrylamide-co-acrylic acid) microgels are synthesized without exogenous crosslinker, making them extremely soft and deformable. These ultralow crosslinked microgels (ULC) are incubated under controlled osmotic pressure to provide a slow (and presumably thermodynamically controlled) approach to higher packing densities. It is found that ULC microgels show stable colloidal packing over a very wide range of osmotic pressures and thus packing densities. Surprising observation of co-existence between hexagonal and square lattices is also made over the lower range of studied osmotic pressures, with microgels apparently changing shape from spheres to cubes in defects or grain boundaries. It is proposed …

Citation Patterns In Chemistry Dissertations At A Mid-Sized University: An Internal Citation Analysis And External Comparison, Lisa M. Rose-Wiles

Library Publications

This study analyzes the references cited in 34 chemistry dissertations and compares the results with an earlier study of citations in American Chemical Society journals. The dissertations cite more references and older references and a greater diversity of sources. They have the same tendency to heavily cite journal articles from a small core of traditional journals. This study underscores the value of comparing internal citation analyses with external citation analyses, and of analyzing the number of citing authors as well as the number of citations. Interlibrary loan and internal usage statistics were also used to inform collection development and library …

College Of Natural Sciences Newsletter, September 2021, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volume 2, Issue 9.

Page 1 Dean's Message
Page 2 Awards and Recognition
Page 3 Student Clubs in Natural Science
Page 4 Media Coverage of CNS
Page 5 Hobo Day Festivities
Page 6 Open PRAIRIE Data; Grants Awarded in CNS
Page 7 One Day for State Recap

Mechanically Transduced Immunosorbent Assay To Measure Protein-Protein Interactions, Christopher J. Petell, Kathyrn Randene, Michael Pappas, Diego Sandoval, Brian Dstrahl, Joseph S. Harrison, Joshua P. Steimel

College of the Pacific Faculty Articles

Measuring protein-protein interaction (PPI) affinities is fundamental to biochemistry. Yet, conventional methods rely upon the law of mass action and cannot measure many PPIs due to a scarcity of reagents and limitations in the measurable affinity ranges. Here, we present a novel technique that leverages the fundamental concept of friction to produce a mechanical signal that correlates to binding potential. The mechanically transduced immunosorbent (METRIS) assay utilizes rolling magnetic probes to measure PPI interaction affinities. METRIS measures the translational displacement of protein-coated particles on a protein-functionalized substrate. The translational displacement scales with the effective friction induced by a PPI, thus …

Tools And Strategies For The Patterning Of Bioactive Molecules And Macromolecules, Daniel J. Valles

Dissertations, Theses, and Capstone Projects

Hypersurface Photolithography (HP) is a printing method for fabricating structures and patterns composed of soft materials bound to solid surfaces and with ~1 micrometer resolution in the x, y, and z dimensions. This platform leverages benign, low intensity light to perform photochemical surface reactions with spatial and temporal control of irradiation, and, as a result, is particularly useful for patterning delicate organic and biological material. In particular, surface- initiated controlled radical polymerizations can be leveraged to create arbitrary polymer and block- copolymer brush patterns. Chapter 1 will review the advances in instrumentation architectures from our group that have made these …

Enhanced Platinum (Ii) Drug Delivery For Anti-Cancer Therapy, Marek T. Wlodarczyk

Dissertations, Theses, and Capstone Projects

Over the years, anti-cancer therapies have improved the overall survival rate of patients. Nevertheless, the traditional free drug therapies still suffer from side effects and systemic toxicity, resulting in low drug dosages in the clinic. This often leads to suboptimal drug concentrations reaching cancer cells, contributing to treatment failure and drug resistance. Among available anti-cancer therapies, metallodrugs are of great interest. Platinum (II)-based agents are highly potent and are used to treat many cancers, including ovarian cancer (OC). Cisplatin (cis-diaminedichloroplatinum (II)) is the first Food and Drug Administration (FDA)-approved metallodrug for treatment of solid tumors, and its mechanism …

Genotype, Age, Genetic Background, And Sex Influence Epha2-Related Cataract Development In Mice, Alpana Dave, Jamie E. Craig, Mohammad Alamein, Karina Skrzypiec, Justin Beltz, Annalise Pfaff, Kathryn P. Burdon, Nuran Ercal, Robb U. De Iongh, Shiwani Sharma

Chemistry Faculty Research & Creative Works

PURPOSE. Age-related cataract is the leading cause of blindness worldwide. Variants in the EPHA2 gene increase the disease risk, and its knockout in mice causes cataract. We investigated whether age, sex, and genetic background, risk factors for age-related cataract, and Epha2 genotype influence Epha2-related cataract development in mice.

METHODS. Cataract development was monitored in Epha2⁺/⁺, Epha2^+/-, and Epha2^-/- mice (Epha2^{Gt(KST085)Byg}) on C57BL/6J and FVB:C57BL/6J (50:50) backgrounds. Cellular architecture of lenses, endoplasmic reticulum (ER) stress, and redox state were determined using histological, molecular, and analytical techniques.

RESULTS. Epha2^-/- and Epha2^{+/- …}

Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang

Dissertations, Theses, and Capstone Projects

Nature usually divides complex systems into smaller building blocks specializing in a few tasks since one entity cannot achieve everything. Therefore, self-assembly is a robust tool exploited by Nature to build hierarchical systems that accomplish unique functions. The cell membrane distinguishes itself as an example of Nature’s self-assembly, defining and protecting the cell. By mimicking Nature’s designs using synthetically designed self-assemblies, researchers with advanced nanotechnological comprehension can manipulate these synthetic self-assemblies to improve many aspects of modern medicine and materials science. Understanding the competing underlying molecular interactions in self-assembly is always of interest to the academic scientific community and industry. …

Dissecting Monomer-Dimer Equilibrium Of An Rnase P Protein Provides Insight Into The Synergistic Flexibility Of 5’ Leader Pre-Trna Recognition, Danyun Zeng, Ainur Abzhanova, Benjamin P. Brown, Nicholas J. Reiter

Chemistry Faculty Research and Publications

Ribonuclease P (RNase P) is a universal RNA-protein endonuclease that catalyzes 5’ precursor-tRNA (ptRNA) processing. The RNase P RNA plays the catalytic role in ptRNA processing; however, the RNase P protein is required for catalysis in vivo and interacts with the 5’ leader sequence. A single P RNA and a P protein form the functional RNase P holoenzyme yet dimeric forms of bacterial RNase P can interact with non-tRNA substrates and influence bacterial cell growth. Oligomeric forms of the P protein can also occur in vitro and occlude the 5’ leader ptRNA binding interface, presenting a challenge in accurately defining …

Don't Sell Them Short, There's More To Bacterial Natural Products Than Antibiotics, Alison Clare Domzalski

Dissertations, Theses, and Capstone Projects

Recent genomic studies of microbiomes have revealed an overwhelming number of biosynthetic genes of unknown function. Most of these “cryptic” biosynthetic genes are not expressed in laboratory monocultures of individual microbes. Thus, there remains tremendous untapped potential for natural products discovery. Here we employ mixed microbial culture (MMC) as a simple yet powerful approach to awaken cryptic biosynthetic gene clusters. Our preliminary studies demonstrated that arrays of metabolites could be induced in MMCs upon environmental cues, such as surface adhesion. Using this system, we have screened, identified, and isolated bioactive bacterial metabolites, which were characterized structurally and biologically. Of the …

Electronic Structures And Spectroscopic Signatures Of Diiron Intermediates Generated By O2 Activation Of Nonheme Iron(Ii)–Thiolate Complexes, Danushka M. Ekanayake, Dao Pham, Andrew L. Probst, Joshua R. Miller, Cordina V. Popescu, Adam T. Fiedler

Chemistry Faculty Research and Publications

The activation of O₂ at thiolate–ligated iron(II) sites is essential to the function of numerous metalloenzymes and synthetic catalysts. Iron–thiolate bonds in the active sites of nonheme iron enzymes arise from either coordination of an endogenous cysteinate residue or binding of a deprotonated thiol-containing substrate. Examples of the latter include sulfoxide synthases, such as EgtB and OvoA, that utilize O₂ to catalyze tandem S–C bond formation and S-oxygenation steps in thiohistidine biosyntheses. We recently reported the preparation of two mononuclear nonheme iron–thiolate complexes (1 and 2) that serve as structural active-site models of substrate-bound EgtB …

Evaluation Of Wind Data Reliability By Using Logarithmic And Power Laws: A Case Study In Southern Iraq, Ahmed B. Khamees, Saif F. Yaseen, Khalid S. Heni, Mudar Ahmed Abdulsattar

Karbala International Journal of Modern Science

In this study, two sites were investigated in the southern region of Iraq: Ali AL-Gharbi and AL-Salman in Mesan and AL-Muthana provinces, respectively. A theoretical extrapolation between wind speed and height was carried out for both locations each month using the Logarithmic Law. Power Law was also applied to achieve calculations of wind shear coefficient (α) by using the actual data collected from the meteorological mast installed in each site at three levels of 10 m, 30 m, and 50 m, at an interval of ten minutes. To compare the effects of each law, two laws are employed.

Polystyrene Molecular Weight Determination Of Submicron Particles Shell, Airat Z. Sakhabutdinov, Safaa.M.R.H. Hussein, Alsu R. Ibragimova Ph.D., Vladimir Kuklin Ph.D., Maxim Petrovich Danilaev, L.Y. Zaharova

Karbala International Journal of Modern Science

The method of determination of the molecular weight of the polystyrene, which is formed as the shell on the surfaces of submicron aluminum oxide particles is considered in the paper. This method is based on the sedimentation of submicron particles, covered by polymer molecules, in a solvent for polystyrene. It is shown that the average polystyrene molecular weight is 39500±11250 amu, when the polymer shells on the surfaces of submicron particles (Al2O3) are formed by the vapor-phase method.

Adaptive Reconstruction Of The Heterogeneous Scan Line Etm+ Correction Technique, Heba Kh. Abbas, Salema S. Salman, Rash Awad Abtan, Anwar H. Al-Saleh, Ali A. Al-Zuky

Karbala International Journal of Modern Science

ETM+ is a land-imaging sensor with great and wide use in many fields, however, after May 2003, because of a technical defect in the sensor´s system scan line corrector SLC, it started giving images of earth containing black gap lines at a 22% rate. These gaps made the process of analyzing and extracting accurate information from these images difficult and complicated. Therefore, scientists have developed many techniques to remove the gap lines from all ETM+ band-images and complete the missing data. In this study, three different ETM+ time images with a 16-day interval between them were used to fill gap …

Two-Dimensional Quantitative Profiling Of Cell Morphology With Serous Effusion By Unsupervised Machine Learning Analysis, Safaa Al-Qaysi Ph.D., Ding Dai Md Ph.D., Heng Hong Md Ph.D., Yuhua Wen Ph.D., X.H. Hu Ph.D.

Karbala International Journal of Modern Science

Cytological evaluation of serous effusion specimens is an important part of cancer diagnosis. In this study we performed two-dimensional (2D) morphometric features and clustering analysis for development of useful techniques for identification and differentiation of malignant and begin cells in serous effusion specimens extracted from ten patients with clinical symptoms of pleural and peritoneal effusion. Our findings show that the two-dimensional (2D) morphometric features and clustering analysis are useful techniques for identification and differentiation of malignant and begin cells in serous effusion specimens, which can lead to development of new methods for rapid cells profiling in clinical application.

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.

Investigating The Proton Transfer Dynamics And Vibrational Spectrum Of Hydrogen Oxalate Using Driven Molecular Dynamics Simulations, Martina Kaledin, Dominick Pierre-Jacques, Olivia Cochran, Dayana Salazar, Dalton Boutwell, Martina Kaledin

Symposium of Student Scholars

In this computational chemistry work, we describe ab initio calculations and assignment of infrared (IR) spectra of an intramolecular H-bonding system hydrogen oxalate, C₂O₄H^–. The mechanism and dynamics of proton transfer are of fundamental importance in chemistry and biology. In C₂O₄H^–, proton transfer occurs along the non-linear path. Previous experimental studies are signaling very strong coupling between OH stretch mode and low frequency motions. We calculated IR spectra at 300 K using the direct molecular dynamics (MD) method at the MP2/ aug-cc-pVDZ level of theory and assigned the …

Unintended Consequences Of Air Cleaning Chemistry, Douglas B. Collins, Delphine K. Farmer

Faculty Journal Articles

Amplified interest in maintaining clean indoor air associated with the airborne transmission risks of SARS-CoV-2 have led to an expansion in the market for commercially available air cleaning systems. While the optimal way to mitigate indoor air pollutants or contaminants is to control (remove) the source, air cleaners are a tool for use when absolute source control is not possible. Interventions for indoor air quality management include physical removal of pollutants through ventilation or collection on filters and sorbent materials, along with chemically reactive processes that transform pollutants or seek to deactivate biological entities. This perspective intends to highlight the …

Synthesis Of 1-(2,4-Dinitrophenyl)-3,5-Diphenyl-1h-Pyrazol-4-Ol Via Trans-1,3-Diphenyl-2,3-Epoxy-1-Propanone, Oluwaseyi B Ovonramwen

Tanzania Journal of Science

The trans-1,3-diphenyl-2,3-epoxy-1-propanone was synthesized from benzaldehyde and 2-bromoacetophenone in 20 min which is more economical. The presence of ethanol and Br in 2-bromoacetophenone facilitated the reaction. The vicinal diaxial coupling constant of trans-1,3-diphenyl-2,3-epoxy-1-propanone was zero, an indication of trans configuration for a rigid 3-membered ring at ~90o dihedral angle. 1-(2,4-Dinitrophenyl)-3,5-diphenyl-1H-pyrazol-4-ol was synthesized from trans-1,3-diphenyl-2,3-epoxy-1-propanone and 2,4-dinitro phenylhydrazine in glacial CH3COOH to give 85.5% yield and characterized using FTIR, 1H, 13C NMR, DEPT 135 and MS spectra. The 1-(2,4-dinitrophenyl)-3,5-diphenyl-1H-pyrazol-4-ol can be exploited for unique biological activities and in the synthesis of synthetic fibers. Keywords:    1-(2,4-dinitrophenyl)-3,5-diphenyl-1H-pyrazol-4-ol, trans-1,3-diphenyl-2,3-epoxy-1-propanone, synthesis, 2,4-dinitro phenylhydrazine.

Physicochemical And Bacteriological Water Quality Parameters In Relation To Land-Use Practices At A Rural Catchment, Mbinga District, Tanzania, Harieth Hellar-Kihampa, Patrick Isdory Ndunguru

Tanzania Journal of Science

Data on physicochemical water quality parameters and contamination levels is crucial for protection and sustainable utilization of water resources. This study assessed the physicochemical water quality parameters, faecal coliform bacteria and nutrient loads in water at a catchment used for municipal supply in Mbinga District, Tanzania. Samples were seasonally collected from three areas characterized by distinct geographical features, settlement patterns and land-use practices, and analyzed using standard analytical protocols. Data were subjected to paired-sampled t-test and cluster analysis. The parameters varied as follows: pH (4.75–6.83); temperature (16.4–26.2 ºC); electrical conductivity (14.6–121.1 µS/cm); total dissolved solids (7.0–23.2 mg/L); total suspended solids …

Silk-Cellulose Acetate Biocomposite Materials Regenerated From Ionic Liquid, Ashley Rivera-Galetti, Chrtstopher R. Gough, Farhan Kaleem, Michael Burch, Chris Ratcliffe, Ping Lu, David Salas-De La Cruz, Xiao Hu

College of Science & Mathematics Departmental Research

The novel use of ionic liquid as a solvent for biodegradable and natural organic biomaterials has increasingly sparked interest in the biomedical field. As compared to more volatile traditional solvents that rapidly degrade the protein molecular weight, the capability of polysaccharides and proteins to dissolve seamlessly in ionic liquid and form fine and tunable biomaterials after regeneration is the key interest of this study. Here, a blended system consisting of Bombyx Mori silk fibroin protein and a cellulose derivative, cellulose acetate (CA), in the ionic liquid 1-ethyl-3-methylimidazolium acetate (EMIMAc) was regenerated and underwent characterization to understand the structure and physical …

Computational Methodologies For The Simulation And Analysis Of Low-Frequency Vibrations In Molecular Crystals, Sara Jean Dampf

Dissertations - ALL

Quantum mechanical models are used to calculate a host of physical phenomena in molecular solids ranging from mechanical elasticity to the energetic stability ordering of polymorphs. However, with the many software packages and methodologies available, it can be difficult to select the most suitable model for the problem at hand without prior knowledge. A promising approach for evaluating the performance of solid-state models is the comparison of the simulations to experimentally measured low-frequency (sub-200 cm-1) vibrational spectra. As this region is dominated by weak intermolecular forces and shallow potential energy surfaces, even slight miscalculations in the solid-state packing arrangements can …

Design And Development Of 2d Functional Semiconductor Nanocrystals, Andrew Hunter Davis

Dissertations - ALL

Anisotropic nanocrystals (NCs) have become of keen interest in recent years, especially for applications in optoelectronic devices due to their directionally oriented emissions, narrow emission spectra, and suitable morphologies for device integration. Of the desired anisotropic NCs, two-dimensional (2D) NCs are of profound interest, due to their impressive optical and electronic properties as well as their prospective advantages towards applications in layered optoelectronic devices, such as solar cells. However, 2D NCs face many challenges, including limited synthetic derivation, as well as decreased stability and optical response, due to their large surface-to-volume ratio and reactive planar surface increasing surface defect state …

Tuning Protein Dynamics To Sense Rapid Endoplasmic-Reticulum Calcium Dynamics, Xiaonan Deng, Xin-Qiu Joe Yao, Ken Berglund, Bin Dong, Daniel Ouedraogo, Mohammad A. Ghane, You Zhuo, Cheyenne Mcbean, Zheng Zachory Wei, Samer Gozem, Shan P. Yu, Ling Wei, Ning Fang, Angela M. Mabb, Giovanni Gadda, Donald Hamelberg, Jenny J. Yang

Chemistry Faculty Publications

Multi-scale calcium (Ca2+) dynamics, exhibiting wide-ranging temporal kinetics, constitutes a ubiquitous mode of signal transduction. We report a novel endoplasmic-reticulum (ER)-targeted Ca2+ indicator, R-CatchER, which showed superior kinetics in vitro (koff≥2×103 s−1, kon≥7×106 M−1 s−1) and in multiple cell types. R-CatchER captured spatiotemporal ER Ca2+ dynamics in neurons and hotspots at dendritic branchpoints, enabled the first report of ER Ca2+ oscillations mediated by calcium sensing receptors (CaSRs), and revealed ER Ca2+-based functional cooperativity of CaSR. We elucidate the mechanism of R-CatchER and propose a principle to rationally design genetically encoded Ca2+ indicators with a single Ca2+-binding site …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

2021 Scas Annual Meeting Program And Bulletin

Journal of the South Carolina Academy of Science

No abstract provided.

Options And Experiences For Online Chemistry Laboratory Instruction, Emily Faulconer, Matt Morgan

Publications

While online course offerings have been on the rise for many years, there was a rapid transition to online courses due to campus closures and social distancing protocols associated with the COVID-19 pandemic. This has caused significant disruption in traditional chemistry laboratory activities. In this chapter, features of various distance laboratory approaches options are presented, including wet chemistry and dry laboratory options. Because the existing research comparing effectiveness of these strategies is scarce, no attempt is made to argue the effectiveness of one modality over the other, but rather advantages and disadvantages of each method are presented and discussed. The …

Software For The Frontiers Of Quantum Chemistry: An Overview Of Developments In The Q-Chem 5 Package, Evgeny Epifanovsky, Andrew T.B. Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Narbe Mardirossian, Pavel Pokhilko, Alec F. White, Marc P. Coons, Adiran L. Dempwolff, Zhengting Gan, Diptarka Hait, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman, Jorg Kussmann, Adrian W. Lange, Ka Un Lao, Daniel S. Levine, Jie Liu, Simon C. Mckenzie, Adrian F. Morrison, Kaushik D. Nanda, Felix Plasser, Dirk R. Rehn, Marta L. Vidal, Zhi-Qiang You, Ying Zhu, Bushra Alam, Benjamin J. Albrecht, Abdulrahman Aldossary

Chemistry and Biochemistry Faculty Research

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and …

Software For The Frontiers Of Quantum Chemistry: An Overview Of Developments In The Q-Chem 5 Package, Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Shervin Fatehi

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and …

Anthraquinone Extraction And Quantification, Modification Of The Pictet-Spengler Reaction For The Creation Of Useful Isotopes And Use In Protein Ligation, Jermell Williams

College of Science and Health Theses and Dissertations

The Pictet-Spengler reaction rates of three species known to exhibit the alpha effect will be compared to the rate of the amine functional group. This is part of a larger effort to to generate a bifunctional tool for protein ligation by attaching an alkyne or azide group to the amine. With this, the aldehyde tag method can be used to modify proteins in biological conditions cheaply, specifically, and efficiently.