Chemistry Commons^™

Raman Spectroscopy As A Teaching Tool In The Forensic Science And Chemistry Courses, Zhaohua Dai, Elmer-Rico E. Mojico

Cornerstone 3 Reports : Interdisciplinary Informatics

No abstract provided.

Influence Of Cholesterol And Bilayer Asymmetry On Membrane Protein Distribution In Polymer-Tethered Raft-Mimicking Lipid Membranes, Noor Fueza Hussain

Open Access Dissertations

It is now widely recognized that lipid rafts, which are membrane domains enriched in cholesterol (CHOL) and sphingolipids (SL), play a significant functional role in the plasma membrane. Raft domains particularly affect membrane functionality by causing sequestering of membrane proteins. Underlying mechanisms of raft-associated membrane protein sequestration remain elusive, due to the complexity, transient nature, and small size of raft domains in cellular membranes. To address these challenges, this dissertation unveils the relationship between lipid raft composition and membrane protein sequestration and function using raft-mimicking model membrane mixtures comprised of coexisting liquid-ordered (lo) and liquid-disordered (ld) domains with reconstituted membrane …

Acquisition Of An Electrochemical System Instrument For The Development Of Sensors, Elmer-Rico E. Mojico

Cornerstone 1 Reports : Expansion and Enhancements of the Thinkfinity Platform

No abstract provided.

Development Of Isotags For Nmr Based Metabolite Profiling And Applications, Fariba Tayyari

Open Access Dissertations

NMR spectroscopy is a powerful analytical tool for both qualitative and quantitative metabolite profiling analysis. However, accurate quantitative analysis of biological systems especially using one dimensional NMR has been challenging due to signal overlap. In contrast, the enhanced resolution and sensitivity offered by chemoselective isotope tags have enabled new and enhanced methods for detecting hundreds of quantifiable metabolites in biofluids using NMR spectroscopy or mass spectrometry. In this thesis we show improved sensitivity and resolution of NMR experiments imparted by 15N and 13C isotope tagging which enables the accurate analysis of plasma metabolites. To date, isotope tagging has been used …

Gas-Phase Covalent And Non-Covalent Ion/Ion Chemistry Of Biological Macromolecules, John Robert Stutzman

Open Access Dissertations

Gas-phase ion/ion chemistry involves the interaction of oppositely charged ions inside of the mass spectrometer. During this gas-phase chemistry, particle transfer (i.e., proton and electron) or synthesis can occur at rapid reaction rates. Particle transfer represents a mature area of ion/ion chemistry, while selective covalent modification represents a fairly new area of gas-phase chemistry. Gas-phase covalent chemistry is based on traditional solution phase organic chemistry.

The work demonstrated in this dissertation greatly involves gas-phase covalent and non-covalent Schiff base chemistry on peptide and protein ions. The reagent dianion, 4-formyl 1,3-benzene disulfonic acid, has been used to covalently modify unprotonated primary …

Design, Synthesis, And Evaluation Of Molecular Inhibitors For Biologically Relevant Enzymes, Sarah Emma St. John

Open Access Dissertations

The work in this thesis details the design, synthesis, and biological evaluation of molecular inhibitors for the inhibition of biologically relevant enzymes. The first three chapters of this thesis concern the polyphenol resveratrol and its inhibition of the quinone reductase 2 (QR2) enzyme. The work on this subject resulted in the complete design, synthesis, biological and structural evaluation of a second generation library of resveratrol analogues. From this work we identified a novel resveratrol analogue that inhibits QR2 in a previously unknown binding orientation. The fourth chapter of this thesis details the de novo design of molecules for the inhibition …

Synthesis Of Novel Isoprenoid Diphosphate Analogs As Chemical Tools To Investigate Protein Geranylgeranylation, Kayla Jo Temple

Open Access Dissertations

Many proteins require prenylation in order to be biologically functional. Some such proteins include the small Ras and Rho GTPase superfamilies, nuclear lamins A and B, and the kinesin motor proteins CENP-E and F. Prenyltransferase (PTase) inhibition is currently being explored as a possible treatment not only for cancer but for a wide variety of other diseases.

Clinical studies revealed that the effectiveness of farnesyltransferase inhibitors (FTIs) to treat Ras-dependent tumors is determined by which isoform of Ras is overactive. Unfortunately the majority of Ras-dependent tumors have a mutation in either the N- or K-Ras isoforms; both of these isoforms …

Efektivitas Sekolah Menengah Kejuruan Berstandar Iso 9001:2008 Terhadap Pencapaian Standar Isi, Standar Proses, Dan Standar Kompetensi Lulusan, Yeni Ratih Pratiwi

Jurnal Pendidikan Sains

Penelitian ini bertujuan untuk mengetahui perbedaan efektivitas pencapaian standar isi, standar proses, dan standar kompetensi lulusan pada Sekolah Menengah Kejuruan (SMK) yang telah menerapkan standar mutu ISO 9001:2008 dan SMK yang belum menerapkannya, baik pada sekolah negeri maupun swasta. Pengumpulan data dilakukan menggunakan kuesioner tertutup dengan skala Likert. Analisis data menggunakan uji ANOVA satu arah dengan bantuan program SPSS. Hasil penelitian menunjukkan bahwa terdapat perbedaan efektivitas antara SMK negeri berstandar ISO dan SMK swasta berstandar ISO (p = 0,001), antara SMK negeri berstandar ISO dan SMK negeri belum berstandar ISO (p = 0,000), serta antara SMK negeri berstandar ISO dan …

Pengaruh Penggunaan Peta Konsep Dalam Pembelajaran Inkuiri Terbimbing Ditinjau Dari Kemampuan Bernalar Siswa Kelas Xi, Agung Wahyudi

Jurnal Pendidikan Sains

Penelitian ini bertujuan untuk: (1) mengetahui perbedaan hasil belajar fisika antara siswa yang belajar menggunakan pembelajaran inkuiri terbimbing melalui peta konsep (PITPK) dan siswa yang belajar menggunakan pembelajaran inkuiri terbimbing (PIT); (2) menguji interaksi antara model pembelajaran dan kemampuan bernalar terhadap hasil belajar fisika; (3) mengetahui efektivitas PITPK dibandingkan PIT pada siswa dengan kemampuan bernalar tinggi; dan (4) mengetahui efektivitas PITPK dibandingkan PIT pada siswa dengan kemampuan bernalar rendah. Penelitian ini menggunakan rancangan faktorial 2 × 2 dengan teknik pengambilan sampel simple random sampling. Instrumen penelitian meliputi instrumen perlakuan berupa silabus, RPP, dan lembar observasi keterlaksanaan pembelajaran, serta instrumen pengukuran …

Pengaruh Pendekatan Genius Learning Berbasis Kerja Ilmiah Terhadap Prestasi Belajar Fisika Ditinjau Dari Pengetahuan Awal Siswa Smpn 13 Balikpapan Tahun 2012, Suliyono Suliyono

Jurnal Pendidikan Sains

Penguasaan konsep-konsep fisika siswa akan lebih optimal apabila pendidik menerapkan strategi pembelajaran yang mampu meningkatkan keaktifan dan motivasi belajar siswa dengan tetap berlandaskan pada pendekatan konstruktivis. Pendekatan Genius Learning Berbasis Kerja Ilmiah (GLBKI) diyakini mampu menjawab tuntutan perkembangan pendidikan serta mempermudah siswa dalam mempelajari konsep-konsep fisika. Penelitian ini bertujuan untuk menguji perbedaan prestasi belajar fisika antara siswa yang belajar menggunakan pendekatan Genius Learning Berbasis Kerja Ilmiah dan siswa yang belajar menggunakan pembelajaran konvensional. Penelitian ini menggunakan desain eksperimen dengan pemberian perlakuan berupa pendekatan GLBKI pada kelas eksperimen yang dipilih secara acak, sedangkan kelas kontrol diberikan pembelajaran konvensional. Data prestasi belajar …

Peer Mediated Instruction And Intervention (Pmii) Tipe Classwide Peer Tutoring (Cwpt) Dan Kemampuan Akademik Pada Pembelajaran Ipa Biologi Smk, Hamsiah Hamsiah

Jurnal Pendidikan Sains

Pembelajaran IPA di SMKN 1 Bontang masih didominasi dengan strategi belajar konvensional yaitu metode belajar dengan ceramah. Hal ini berdampak terhadap hasil belajar kognitif IPA biologi yang cenderung masih rendah karena siswa belum terlatih menjadi pebelajar yang mandiri, sehingga inovasi pembelajaran PMII tipe CWPT dapat digunakan sebagai terobosan untuk mengembangkan hasil belajar kognitif. Penelitian ini dilakukan untuk mengetahui penerapan strategi CWPT dan kemampuan akademik pada pembelajaran IPA Biologi SMK. Penelitian eksperimen semu dengan rancangan pretest-posttest Nonequivalent Control Group. Hasil penelitian, yaitu: (1) ada pengaruh CWPT terhadap hasil belajar kognitif, (2) ada pengaruh kemampuan akademik terhadap hasil belajar kognitif, dan (3) …

Pengaruh Penerapan Model Pembelajaran Pemerolehan Konsep Dipadu Pembelajaran Kooperatif Stad Terhadap Prestasi Belajar, Keaktifan, Dan Respons Siswa Pada Pembelajaran Ikatan Kimia, Putri Ridha Ilahi

Jurnal Pendidikan Sains

Penelitian ini bertujuan untuk mengetahui perbedaan: (1) prestasi belajar siswa menggunakan model pembelajaran pemerolehan konsep dipadu pembelajaran kooperatif STAD dan prestasi belajar siswa menggunakan model pembelajaran pemerolehan konsep dalam pembelajaran konvensional; (2) keaktifan siswa menggunakan model pembelajaran pemerolehan konsep dipadu pembelajaran kooperatif STAD dan keaktifan siswa menggunakan model pembelajaran pemerolehan konsep dalam pembelajaran konvensional; (3) respon siswa terhadap pembelajaran pemerolehan konsep dipadu pembelajaran kooperatif STAD dan respon siswa terhadap pembelajaran pemerolehan konsep dalam pembelajaran konvensional. Penelitian ini menggunakan rancangan penelitian deskriptif dan rancangan eksperimen semu (quasy experiment design). Data prestasi belajar dikumpulkan menggunakan tes objektif dan koefisien reliabilitas dihitung dengan …

Degradasi Anaerob Sampah Organik Dengan Bioaktivator Effective Microorganism-5 (Em-5) Untuk Menghasilkan Biogas, Metri Dian Insani

Jurnal Pendidikan Sains

Tujuan penelitian ini adalah untuk: (1) menganalisis perbedaan penggunaan tongkol jagung, kelaras pisang, dan kulit pisang dengan penambahan kotoran sapi terhadap tekanan biogas, (2) menganalisis perbedaan penggunaan tongkol jagung, kelaras pisang, dan kulit pisang dengan penambahan kotoran sapi terhadap lama waktu nyala api biogas yang dihasilkan, dan (3) menganalisis perbedaan penggunaan tongkol jagung, kelaras pisang, dan kulit pisang dengan penambahan kotoran sapi terhadap rasio C/N akhir. Penelitian eksperimen didesain menggunakan rancangan acak lengkap (RAL), dengan tiga perlakuan masing-masing dalam 3 kali ulangan. Hasil penelitian membuktikan bahwa: (1) terdapat perbedaan tongkol jagung, kelaras pisang, dan kulit pisang dengan penambahan kotoran sapi …

Relevansi Soft Skill Yang Dibutuhkan Dunia Usaha/Industri Dengan Yang Dibelajarkan Di Sekolah Menengah Kejuruan, Didik Suryanto

Jurnal Pendidikan Sains

Penelitian ini bertujuan untuk mendeskripsikan relevansi soft skill yang dibutuhkan oleh dunia usaha dan industri dengan soft skill yang dibelajarkan di Sekolah Menengah Kejuruan (SMK) di Kabupaten Blitar. Instrumen penelitian yang digunakan berupa angket atau kuesioner. Data dianalisis menggunakan teknik analisis deskriptif kuantitatif. Hasil penelitian menunjukkan bahwa terdapat sejumlah soft skill yang relevan antara kebutuhan dunia usaha/industri dan pembelajaran di SMK menurut persepsi guru dan siswa, yaitu: (a) kejujuran dan sikap perilaku yang baik, (b) rasa tanggung jawab, (c) disiplin waktu, (d) kemampuan bekerja secara aman, (e) ketangguhan atau kegigihan dalam bekerja, (f) kemampuan mengatasi stres, (g) kemandirian atau tidak …

Penggunaan Media Bangun Geometri Untuk Menanamkan Konsep Penjumlahan Pecahan, Nanik Ulfa

Jurnal Pendidikan Sains

Pemahaman konsep merupakan aspek penting dalam pembelajaran matematika. Untuk menanamkan pemahaman konsep pada siswa yang masih berada pada tahap berpikir konkret, diperlukan bantuan media pembelajaran yang akrab dengan siswa. Dalam penelitian ini, media yang digunakan adalah media bangun geometri bidang. Penggunaan media tersebut diharapkan mampu menciptakan suasana pembelajaran yang menyenangkan serta mendorong keterlibatan aktif siswa dalam proses pembelajaran. Pembelajaran dilaksanakan melalui tiga tahap, yaitu: (1) tahap awal untuk mengecek pengetahuan prasyarat siswa, (2) tahap inti, pada tahap ini siswa memanipulasi media bangun geometri sesuai dengan panduan dalam Lembar Kerja Siswa (LKS) yang disusun oleh peneliti, dan (3) tahap penutup, yaitu …

Pengembangan Media Pembelajaran Interaktif Untuk Membangun Pemahaman Konsep Garis Singgung Persekutuan Dua Lingkaran, Vivin Nur Afidah

Jurnal Pendidikan Sains

Media pembelajaran interaktif yang dikembangkan adalah media pembelajaran interaktif yang dirancang berdasarkan karakteristik pembelajaran dengan bantuan komputer/Computer Assisted Instruction (CAI) tipe tutorial. Dirancang berdasarkan teori beban kognitif yaitu meminimalkan pemrosesan beban kognitif extraneous, mengatur pemrosesan beban kognitif intrinsic, dan mengembangkan pemrosesan beban kognitif germane. Penelitian pengembangan mengikuti model pengembangan 4D yaitu define (pendefinisian), design (perancangan), develop (pengembangan), dan disseminate (penyebarluasan). Simpulannya adalah (1) hasil validasi oleh ahli dan praktisi menilai media pembelajaran interaktif yang dikembangkan valid, (2) hasil pengamatan aktivitas guru dan siswa menunjukkan media pembelajaran interaktif memenuhi kriteria kepraktisan, (3) hasil kuis menunjukkan sebagian besar siswa mencapai tingkat pemahaman …

Pengembangan Buku Kerja Materi Eksponen Bercirikan Rme Untuk Siswa Smk Teknik, Sri Widowati

Jurnal Pendidikan Sains

Tujuan penelitian pengembangan ini adalah menghasilkan buku kerja berbahasa Inggris materi eksponen yang bercirikan Realistic Mathematics Education (RME) untuk siswa Sekolah Menengah Kejuruan (SMK) teknik kelas X serta memenuhi kriteria valid, praktis dan efektif. Proses validasi ahli dilakukan untuk mengetahui tingkat kevalidan buku kerja yang dihasilkan. Proses uji coba dilakukan untuk mengetahui tingkat kepraktisan dan keefektifan dari buku kerja yang dihasilkan. Berdasarkan proses validasi, diperoleh hasil bahwa buku kerja yang dihasilkan memenuhi kategori valid. Sedangkan dari proses uji coba diperoleh bahwa keterlaksanaan pembelajaran dengan menggunakan buku kerja berada pada kriteria praktis. Selain itu, rata-rata siswa memberikan respon positif dan hasil …

Pengaruh Model Pembelajaran Arias Dan Arias Dipadu Peta Konsep Terhadap Kemampuan Berpikir Kritis, Kognitif, Dan Afektif, Ismail Ismail

Jurnal Pendidikan Sains

Model pembelajaran Assurance, Relevance, Interest, Assessment, dan Satisfaction (ARIAS) dipadu peta konsep dapat meningkatkan kemampuan berpikir kritis, kognitif, dan afektif. Penelitian bertujuan untuk menguji pengaruh model pembelajaran ARIAS, ARIAS dipadu peta konsep, dan peta konsep terhadap kemampuan berpikir kritis, kognitif, dan afektif. Data penelitian dikumpulkan melalui tes uraian dan lembar observasi. Hasil analisis data menunjukkan bahwa nilai rata-rata kemampuan berpikir kritis, kognitif dan afektif untuk kelompok model pembelajaran ARIAS dipadu Peta Konsep tergolong kategori sangat baik, kelas perlakuan pembelajaran ARIAS, dan kelas perlakuan Peta Konsep termasuk kategori baik.

Keefektifan Gambar Statis, Gambar Dinamis Ball-And-Stick, Dan Model Molekul Sederhana Yang Dibuat Dari Jarum Pentul Pada Pembelajaran Bentuk Dan Kepolaran Molekul, Muhammad Ardiansyah

Jurnal Pendidikan Sains

Tujuan penelitian ini adalah untuk membandingkan keefektifan gambar statis, gambar dinamis ball-and-stick, dan model molekul sederhana dibuat dari jarum pentul ditinjau dari hasil belajar kognitif siswa pada pembelajaran bentuk dan kepolaran molekul. Data penelitian adalah skor hasil belajar kognitif siswa yang dikumpulkan dengan menggunakan tes pilihan ganda yang terdiri dari 35 item dengan validitas isi tes sebesar 87,6%, dan koefisien reliabilitas, dihitung dengan rumus KR-21, sebesar 0,90. Data penelitian dianalisis menggunakan statistik uji t. Hasil penelitian menunjukkan bahwa skor hasil belajar kognitif siswa yang diperoleh dari pembelajaran bentuk dan kepolaran molekul dengan menggunakan model molekul sederhana dibuat dari jarum pentul …

Size-Based Separation Of Bioparticles Using Planar Nanofluidic Devices, Jie Xuan

Theses and Dissertations

Nanofluidic devices are structures having at least one dimension in the submicron range, which is of the same order of magnitude as the sizes of biomolecules and bioparticles such as proteins and viruses. As a result, size-selective separations are important applications for nanofluidics. Well-defined micro or nano device structures fabricated via micromachining have greatly reduced sample consumption and enabled separations in a parallel fashion, promising significant speed and resolution advantages over conventional size separation techniques, such as gel electrophoresis and size exclusion chromatography. In collaboration with others, I have developed a size separation method using nanofluidic devices consisting of an …

Formation, Functionalization, Characterization, And Applications Of A Mixed-Mode, Carbon/Diamond-Based, Core-Shell Phase For High Performance Liquid Chromatography, Landon A. Wiest

Theses and Dissertations

My work has focused on a variety of different types of diamond-based, core-shell particles. These particles are formed with inert cores and poly(allylamine)/nanodiamond shells. Their intended purpose is to form an LC stationary phase that is stable from pH 1 – 14 and at elevated temperatures. At the beginning of my studies, the particles that had been made in the Linford laboratory were pH stable, but irregular and had poor mechanical stability. Since that time, I have worked to improve the particles by using more spherical zirconia and carbon cores, and I have improved their mechanical stability via chemical crosslinking …

Membrane Lipid-Modulated Mechanism Of Action And Non-Cytotoxicity Of Novel Fungicide Aminoglycoside Fg08, Sanjib Shrestha, Michelle Grilley, Marina Y. Fosso, Cheng-Wei Tom Chang, Jon Y. Takemoto

Chemistry and Biochemistry Faculty Publications

A novel aminoglycoside, FG08, that differs from kanamycin B only by a C8 alkyl chain at the 4″-O position, was previously reported. Unlike kanamycin B, FG08 shows broad-spectrum fungicidal but not anti-bacterial activities. To understand its specificity for fungi, the mechanism of action of FG08 was studied using intact cells of the yeast Saccharomyces cerevisiae and small unilamellar membrane vesicles. With exposure to FG08 (30 µg mL−1), 8-fold more cells were stained with fluorescein isothiocyanate, cells had 4 to 6-fold higher K+ efflux rates, and 18-fold more cells were stained with SYTOX Green in comparison to exposure to kanamycin B …

Laboratory Characterization Of Pm Emissions From Combustion Of Wildland Biomass Fuels, S. Hosseini, S. P. Urbanski, P. Dixit, L. Qi, I. R. Burling, Robert J. Yokelson, T. J. Johnson, M. Shrivastava, H. S. Jung, D. R. Weise, J. W. Miller, D. R. Cocker Iii

Chemistry and Biochemistry Faculty Publications

[1] Particle emissions from open burning of southwestern (SW) and southeastern (SE) U.S. fuel types during 77 controlled laboratory burns are presented. The fuels include SW vegetation types: ceanothus, chamise/scrub oak, coastal sage scrub, California sagebrush, manzanita, maritime chaparral, masticated mesquite, oak savanna, and oak woodland, as well as SE vegetation types: 1 year, 2 year rough, pocosin, chipped understory, understory hardwood, and pine litter. The SW fuels burned at higher modified combustion efficiency (MCE) than the SE fuels resulting in lower particulate matter mass emission factor. Particle mass distributions for six fuels and particle number emission for all fuels …

Protein Similarity Networks Reveal Relationships Among Sequence, Structure, And Function Within The Cupin Superfamily, Richard Uberto, Ellen W. Moomaw

Faculty Articles

The cupin superfamily is extremely diverse and includes catalytically inactive seed storage proteins, sugar-binding metal-independent epimerases, and metal-dependent enzymes possessing dioxygenase, decarboxylase, and other activities. Although numerous proteins of this superfamily have been structurally characterized, the functions of many of them have not been experimentally determined. We report the first use of protein similarity networks (PSNs) to visualize trends of sequence and structure in order to make functional inferences in this remarkably diverse superfamily. PSNs provide a way to visualize relatedness of structure and sequence among a given set of proteins. Structure- and sequence-based clustering of cupin members reflects functional …

Comparison Of Arsenic Uptake And Oxidative Stress By Christmas Fern And Spider Brake Fern, Paul Lkanich, Pratheek Koneru, Robert Wei

Undergraduate Research Posters 2013

Plants are widely considered the most cost effective and environmentally friendly way to clean soils and waters contaminated with toxic metals, e.g. arsenic and mercury. We have focused our research on the uptake of arsenic and its biochemical effect on two species of fern, Spider brake fern and Christmas fern. Spider brake fern is known to be capable of accumulating significant amounts of arsenic. We wish to determine whether the levels of arsenic uptake in Christmas fern are comparable to Spider Brake fern (>1g kg-1 plant biomass) when both are grown under the same conditions. Another aim of the …

Climate Change From Oxygen Isotopic Variation Of Pore Water From Sediments In Punderson Lake, Northeast Ohio, Rachel Daley, Fasong Yuan

Undergraduate Research Posters 2013

The environment in Ohio has changed over time. The hydroclimate, which is the climate of the water, shows changes from the Industrial Revolution to the present. Evidence for these changes can be found in levels of δ18O and δ2H isotopes in the layers of sediment and water in the lakes of Northeast Ohio. Mass spectrometry can be used to test the levels of δ18O and δ2H isotopes from pore water samples within sediment cores. In this study, surface soil and water samples were collected from cores in Punderson Lake at Punderson State Park in Newbury, Ohio. Pore water was extracted …

Self-Assembled Dna Origami Templates For The Fabrication Of Electronic Nanostructures, Elisabeth Pound Gates

Theses and Dissertations

An important goal of nanoscience is the self-assembly of nanoscale building blocks into complex nanostructures. DNA is an important and versatile building block for nanostructures because of its small size, predictable base pairing, and numerous sequence possibilities. I use DNA origami to design and fold DNA into predesigned shapes, to assemble thin, branched DNA nanostructures as templates for nanoscale metal features. Using a PCR-based scaffold strand generation procedure, several wire-like nanostructures with varying scaffold lengths were assembled. In addition, more complex prototype circuit element structures were designed and assembled, demonstrating the utility of this technique in creating complex templates. My …

Hypothesis Driven Single Nucleotide Polymorphism Search (Hydn-Snp-S), Rebecca J. Swett, Angela Elias, Jeffrey A. Miller, Gregory E. Dyson, G. AndréS Cisneros

Chemistry Faculty Research Publications

The advent of complete-genome genotyping across phenotype cohorts has provided a rich source of information for bioinformaticians. However the search for SNPs from this data is generally performed on a study-by-study case without any specific hypothesis of the location for SNPs that are predictive for the phenotype. We have designed a method whereby very large SNP lists (several gigabytes in size), combining several genotyping studies at once, can be sorted and traced back to their ultimate consequence in protein structure. Given a working hypothesis, researchers are able to easily search whole genome genotyping data for SNPs that link genetic locations …

Shared Mycobacterium Avium Genotypes Observed Among Unlinked Clinical And Environmental Isolates, M. Ashworth Dirac, Kris M. Weigel, Mitchell A. Yakrus, Annie L. Becker, Hui-Ling Chen, Gina Fridley, Arthur Sikora, Cate Speake, Elizabeth D. Hilborn, Stacy Pfaller, Gerard A. Cangelosi

Chemistry and Physics Faculty Articles

Our understanding of the sources of Mycobacterium avium infection is partially based on genotypic matching of pathogen isolates from cases and environmental sources. These approaches assume that genotypic identity is rare in isolates from unlinked cases or sources. To test this assumption, a high-resolution PCR-based genotyping approach, large-sequence polymorphism (LSP)-mycobacterial interspersed repetitive unit–variable-number tandem repeat (MIRU-VNTR), was selected and used to analyze clinical and environmental isolates of M. avium from geographically diverse sources. Among 127 clinical isolates from seven locations in North America, South America, and Europe, 42 genotypes were observed. Among 12 of these genotypes, matches were seen in …

Computational Study Of The Cyclization Of 5-Hexenyl, 3-Oxa-5-Hexenyl And 4-Oxa-5-Hexenyl Radicals, Albert Matlin, Matthew C. Leyden

Faculty & Staff Scholarship

The intramolecular cyclization of 5-hexenyl radicals continues to be an important synthetic method for the construction of five-membered rings. The synthetic utility arises from the high degree of regioselectivity to give predominantly cyclopentyl products in high yield under mild conditions. Recently we reported product cyclization studies on 4-oxa perturbed 5-hexenyl radical. In this paper we report our results from a computational study (UB3LYP and UCCSD(T)) of the cyclization of a series of 5-hexenyl and 3- and 4-oxa-5-hexenyl radicals. Three highly conserved cyclization transitions states (exo-chair, exo-boat and endo-chair) were located for 10 acyclic radicals. Activation en-ergies …