{"title":"Computational insights on the structure of transition states and intermediates of the Boyland-Sims Oxidation reaction","authors":"Isaac Hall","doi":"10.55632/pwvas.v95i2.1006","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.1006","url":null,"abstract":"The Boyland-Sims Oxidation reaction uses an alkaline solution of peroxydisulfate salt to convert arylamines to o-aminophenols. The long-standing mechanism involves a nucleophilic attack by the amine leading to the formation of an arylhydroxylamine-O-sulfonate intermediate, which then rearranges to the arylamine o-sulfate. The long-standing mechanism of a nucleophilic attack by the amine on peroxide oxygen has been questioned by Marjanović et al. who have proposed a nitrenium ion intermediate as the reactive species rather than the uncharged amine. It has been challenged by a variety of experimental observations. We present here new computations at a high-level of density functional theory (B3LYP/6-311++G**) to model both arylhydroxylamine-O-sulfonate and nitrenium ion pathways in a series of aromatic amines. In this study, the energetics of reaction intermediates in both mechanisms are computed for aniline, 2,4-dinitroaniline, and N,N-dimethylaniline. To further support the pathways of the reaction, the calculations were performed to find the transition states involved in both mechanisms. The transition state calculations revealed two possible energetically feasible pathways for the rearrangement of arylhydroxylamine-O-sulfonate to arylamine o-sulfate. Our results indicate that the Boyland-Sims oxidation reactions proceed via arylhydroxylamine-O-sulfonate intermediate as predicted earlier.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"51 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84008016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Induced Thyrotoxicosis Elicits Protective Effects in Developing Hearts","authors":"Kirsten Bogunovich, Holly L. Racine","doi":"10.55632/pwvas.v95i2.958","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.958","url":null,"abstract":"Maternal hyperthyroidism effects development in infants and can lead to conditions such as craniosynostosis, exophthalmos, and cardiac hypertrophy. Models for studying maternal hyperthyroidism, or thyrotoxicosis, are limited. Our lab has established an avian model to study the effects of induced thyrotoxicosis on embryonic development. Thyroid hormones (TH) cause inotropic and chronotropic changes in cardiac tissue, including increased cardiac output, increased blood volume, and hypertrophy. Therefore, we wanted to investigate the cardiac changes in our model. Fertilized chicken eggs are injected on embryonic days (E) 11 and 15 with either saline (control) or 25ng thyroxine (T4). Hearts were harvested on day E19, with halves of each sample used for histological staining with Masson’s Trichrome and qRT-PCR analysis. The main objective was to observe systemic effects of our model by studying morphological and genetic changes in the heart following exposure by measuring expression of THRa (TR receptor), ATP2A2 (calcium ATPases), and MYH7(Myosin heavy chain 7). We hypothesized that levels of all 3 markers would be upregulated, since THRaregulates transcription of these other cardiac markers due to fluctuating levels of TH. These are linked to ventricular hypertrophy when upregulated. However, our results contradicted our hypothesis. There was downregulation of all 3 genes, with a significant downregulation in ATP2A2. In combination with other data collected in our lab and related literature, we suspect that there is a cardiac protective effect occurring in the hearts following thyroxine exposure.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"66 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89637008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Assessing the interactions of variables affecting the rate of nonhuman decomposition","authors":"Serenity Parsell, Kristy Henson","doi":"10.55632/pwvas.v95i2.955","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.955","url":null,"abstract":"Decomposition of organic tissue is a complex process that is affected by a large number of interactions. These variables affect the rate of decomposition, insect activity, and the onset of each individual stage in the decomposition process. Of the variables in effect, some of the most commonly studied are temperature and moisture. The purpose of this study is to analyze the impact of other variables, such as age at death, body size, sun exposure, and presence of preservation chemicals on the rate of decomposition in nonhuman specimens. The goal of this research is to give more insight into the complex interactions between these variables and analyze the reliability of current decomposition analysis. As ethical considerations and policies affect how researchers use human remains, more decomposition research is needed to better understand this very sensitive process and all the variables that are included. Preliminary results suggest that sun exposure, relative body size, and age at death do not significantly affect the rate of nonhuman decomposition, but a principal component analysis suggests correlation does exist between subsets of these variables. Ongoing work to include larger sample sizes, as well as chemically preserved animals, is currently running. Expected results indicate that preserved animals will take longer to fully decompose, and the effects of age, sun exposure, and body size will not be significant. \u0000 ","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"56 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76839742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The analyzation of DNA and cross contamination inside the cyanoacrylate (superglue) fuming chamber.","authors":"Casie Banyi","doi":"10.55632/pwvas.v95i2.981","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.981","url":null,"abstract":"The objectives of this experiment looked at were that the DNA, both skin cells and saliva, have the potential of binding with the superglue as it coats each object being fumed. If DNA has the potential of binding with the superglue, then it is very possible for DNA to be carried in the air by the humidifier, thus contaminating other objects. For the first experiment, two saliva covered microscope slides, one female and one male, were fumed along with 25 other sterile slides. Each sterile slide was swabbed and analyzed for DNA in an electrophoresis gel chamber. The second experiment fumed ten microscope slides presented with fingerprints. Each sterile slide was swabbed and analyzed for DNA in an electrophoresis gel chamber. The results showed that there was minimal cross contamination present on the slides fumed with the saliva based slides. The touch DNA experiment showed that there are potentially identifiable DNA markers present in fingerprints after fuming. The results concluded that it is possible to have DNA cross contamination between items that carry no DNA prior to the fumigation, and potential DNA can be found on fingerprints after fumigation.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75579105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The somatosensory and visual systems adaptation times have a strong positive correlation. ","authors":"Natalia Omelchenko-Comer","doi":"10.55632/pwvas.v95i2.950","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.950","url":null,"abstract":"CONNIE BURRIS, MARIA MARTINEZ, RAE MOORE, SARAH ZAMZOW, NATALIA OMELCHENKO-COMER, STEM and Business Division, WVNCC, Wheeling, WV, 26003. The somatosensory and visual systems adaptation times have a strong positive correlation. \u0000Multiple studies demonstrated that all sensory systems adapt their sensitivity levels to improve their responsiveness to changes in corresponding stimulation and to accelerate following CNS processing. The study aimed to determine if the time of adaptation observed for the somatosensory system correlates with the adaptation time observed for the visual system. The data collection was performed on 2 male and 7 female healthy volunteers (the average age of those was 22.2+/-4.60, 8 right-handed and 1 left-handed) in a seated position. The adaptation time for the somatosensory system was estimated by recording the time of the perception loss after placing a 1 penny coin onto the dorsal hand surface. To evaluate the adaptation time for the visual system the subject was asked to stare at a small pastel color abstract image. The time of the perceived loss for the component of this image was recorded. The average adaptation time for somatosensory perception was 22.0+/-16.15 seconds ranging from 4 to 42 seconds. The average adaptation time for visual perception was 30.7+/-16.04 seconds ranging from 12 to 51 seconds. There was a statistically significant difference between the adaptation time for these modalities of the sensations as determined by paired T-test (t (8) = 3.1, p = .01). However, the correlation analysis demonstrated a strong positive correlation between values (r (8) = 0.86, p = .003). Our data indicate that the times of somatosensory and visual adaptation are strongly correlated. The finding of this study can be used for the development and improvement of neurobehavioral evaluation tests.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74245629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effects of Handwashing and Antimicrobials on Bacterial Counts","authors":"Emily Hissom","doi":"10.55632/pwvas.v95i2.949","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.949","url":null,"abstract":"It is everyday practice to utilize aseptic techniques, which are simply actions taken to prevent the accumulation of bacteria and other microbes to prevent diseases and their spread. Handwashing is an important aspect of hand hygiene because hands pick up the microbes from surfaces and are easily transported from person to person through direct contact or indirect contact. According to the CDC and WHO, many diseases are spread by not washing hands effectively, therefore hand hygiene is important everywhere in society, especially in healthcare where the spread of disease can mean life or death. In this study, we analyzed data collected from the student population of microbiology classesfrom the University of Charleston in West Virginia over the span of nine years (2014 to present). We measured the number of colony forming units (CFU) from students’ hands prior to manipulation (control), using just water, using soap and water, and using hand sanitizer. We hypothesized that handwashing and use of antimicrobial aids such as hand sanitizer will reduce the number of bacteria on hands compared to controls. An analysis was also performed comparing pre-pandemic and post-pandemic data to determine if handwashing behaviors have changed behavior which would alter the normal microfauna on the hands. This analysis revealed that there was a significant difference between handwashing techniques (p<0.001). There was a difference in formation of colony forming units between pre and post pandemic times (p<0.001).","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85538869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Qing Wang, Amy L. Dewitt, Emily Gross, Weidong Liao, K. Adams, R. Mirdamadi, Osman Guzide
{"title":"The S-STEM Scholarship Program to Advance Academic Success and Career Development for CME Majors at Shepherd University","authors":"Qing Wang, Amy L. Dewitt, Emily Gross, Weidong Liao, K. Adams, R. Mirdamadi, Osman Guzide","doi":"10.55632/pwvas.v95i2.1007","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.1007","url":null,"abstract":"The Track II NSF S-STEM Program in the Computer Sciences, Mathematics, and Engineering Department at Shepherd University started in October 2021 and has thus far supported 14 scholars majoring in computer science, mathematics, data analytics, or engineering. The overall goal of the program is to increase the number and quality of STEM graduates in the STEM workforce by providing financial, academic, and social support, which enables qualified students to overcome certain barriers that prevent them from meeting their educational and career goals. In this poster, the most significant activities and outcomes of the program since its inception are presented. Survey results and outcomes from the last academic year, along with initiatives that increase, retain, and support students in CME fields, are also discussed. This program has been supported by the NSF S-STEM Grant (award No. DUE-2130267). ","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"59 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82045846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Taxonomic Standing and Genetic Surveillance of the Spiny Scale Crayfish (Cambarus jezerinaci) in Southeastern Kentucky","authors":"Cassidy Gebhardt, Zachary J. Loughman","doi":"10.55632/pwvas.v95i2.986","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.986","url":null,"abstract":" \u0000In Southeastern Kentucky a small, cold stream-dwelling crayfish, Cambarus jezerinaci, located in the Kentucky and Cumberland River basin may be a part of a species complex. A previous study done in 2008 on the cytochrome oxidase 1 gene (CO1) of C. jezerinaci and Cambarus parvoculus, a sister species in the region, identified a third genetically distinct lineage most similar to C. jezerinaci currently retained as Group B C. jezerinaci. Group B is as different from the true species as the true species is to C. parvoculus, a total CO1 difference greater than 5%. Morphological characteristics were also compared between C. jezerinaci and C. parvoculus with only rostral states being significant to species identification. However, in light of new genetic lineages previous research suggested the separation of them before morphological comparisons. In 2022 and 2023 research was conducted on both the genetics and morphological differences of C. jezerinaci within two river basins to better understand the taxonomic standing of this crayfish. Determining the true status of C. jezerinaci within these two river basins is important to the conservation of these animals. Continuing genetic research helps us to grow our understanding of what it means to be a species in the modern age and also allows us to learn about the biodiversity and speciation process itself. Given the rapidly changing climate, it is imperative to catalog the true diversity of our freshwater streams and develop conservation action plans for endemic species such as C. jezerinaci.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84334101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Superposition as a Means of Data Encryption in N-Dimensional Value Spaces","authors":"Tyler Burgee","doi":"10.55632/pwvas.v95i2.956","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.956","url":null,"abstract":"The objective of this study was to provide a new method for creating quantum-proof encryption algorithms. I accomplished this by designing a symmetric 2-key cryptosystem that exploits the superposition principle to encrypt data in multi-dimensional value spaces. \u0000 The proposed cryptosystem substitutes characters for frequencies, as determined by two private keys: component wave order key (CWOK) and character transmission order key (CTOK). A CWOK defines the values and theoretical spatial arrangement of frequencies in a complex wave. A CTOK defines the unique arrangement of system characters (i.e., characters in an encoding scheme such as ASCII), determined by a hash function, to identify a user. Combining the CWOK and CTOK, we construct a character-lookup table (CLT), which defines the character-frequency relationships used to generate a substitution cipher. A cipher’s frequency values must be superimposed in accordance with the CWOK. Fast Fourier Transforms are used during the decryption stage to perform complex wave analysis. \u0000 Complex waves can have n! frequency configurations, where n = the number of component frequencies; each CTOK can have a! character configurations, where a = the number of characters defined in an encoding scheme. Therefore, by requiring n ≥128 and using the ASCII encoding scheme (a = 128), there are n!+a!=128!+128!=2*128! possible key configurations for any given cipher. This is approximately 3.330284e+138 times as many key configurations possible with AES 256. \u0000 Exploiting the multi-dimensional nature of complex waves, and combining these techniques with other powerful encryption algorithms used today, it appears likely that we can create a quantum-proof cryptosystem.","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"51 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86460335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. Cantlay, Nicole L. Garrison, Rachelle Patterson, D. Primerano, Jun Fan, Joseph Horzempa
{"title":"Applying RNA-Seq to investigate the transition into a Viable But Non Culturable State (VBNC) for the intracellular pathogen, Francisella tularensis LVS.","authors":"S. Cantlay, Nicole L. Garrison, Rachelle Patterson, D. Primerano, Jun Fan, Joseph Horzempa","doi":"10.55632/pwvas.v95i2.994","DOIUrl":"https://doi.org/10.55632/pwvas.v95i2.994","url":null,"abstract":"Many species of bacteria, under conditions of stress or nutrient limitation, enter a state of dormancy referred to as viable but non-culturable (VBNC). VBNC bacteria persist in the environment, are difficult to detect and identify by many standard laboratory methods and can be altered in their susceptibility to antibiotics. Entry into the VBNC state is often accompanied by morphological changes; however, the mechanisms underlying this are poorly understood. Francisella transitions rapidly and spontaneously to a VBNC state, and therefore has the potential to be an excellent model organism for the study of this phenomenon. To investigate the transcriptome of VBNC F. tularensis LVS we extracted RNA from culturable and VBNC cells and carried out an RNA-Seq analysis using both Long-read Nanopore and Illumina Sequencing. Differentially expressed genes (DEGs) were identified using a DE-Seq pipeline. Over 300 genes were significantly upregulated and ~100 genes were down regulated in VBNC cells. Amongst the upregulated genes were some involved in the transport of metals or small molecules, and we have also identified putative transcriptional regulators that may be master controllers of the VBNC process. Our data represents the first transcriptomic analysis of F. tularensis LVS as it transitions into the VBNC state. Identifying genes that are involved in this transition is a critical first step in understanding the mechanisms that drive F. tularensis LVS into the VBNC state and will help us identify factors that allow the resuscitation of these bacteria. This will have important implications for understanding both environmental persistence and pathogenicity of Francisella species. (Supported by NIH Grant P20GM103434 to the West Virginia IDeA Network for Biomedical Research Excellence)","PeriodicalId":92280,"journal":{"name":"Proceedings of the West Virginia Academy of Science","volume":"100 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85803372","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}