One-Pot Conversion Of Carboxylic Acids To Aldehydes,
2022
University of Louisville
One-Pot Conversion Of Carboxylic Acids To Aldehydes, Hannah Khan, Michael Nantz, Saurin Sutaria
Posters-at-the-Capitol
There are many different ways to convert a carboxylic text acid to an aldehyde. A common way to accomplish this transformation is to use multiple steps (e.g., reduction of the carboxylic acid to the corresponding alcohol followed by selective oxidation to the aldehyde). Our success in reducing the diacid muconic acid (1) to muconaldehyde (4) in a relatively mild, one-pot process has led us to examine whether the method can be expanded to other carboxylic acids. We report here our findings using benzoic acid as a representative substrate.
A Core–Shell Au@Tio2 And Multi-Walled Carbon Nanotube-Based Sensor For The Electroanalytical Determination Of H2o2 In Human Blood Serum And Saliva,
2022
Chemical Industries Research Institute, National Research Centre (NRC), Egypt
A Core–Shell Au@Tio2 And Multi-Walled Carbon Nanotube-Based Sensor For The Electroanalytical Determination Of H2o2 In Human Blood Serum And Saliva, Ayman Ali Saeed, Mohammed Nooredeen Abbas, Waheed Fathi El-Hawary, Yousry Moustafa Issa, Baljit Singh
Articles
A hydrogen peroxide (H2O2) sensor was developed based on core–shell gold@ titanium dioxide nanoparticles and multi-walled carbon nanotubes modified glassy carbon electrode (Au@TiO2/MWCNTs/GCE). Core–shell Au@TiO2 material was prepared and characterized using a scanning electron microscopy and energy dispersive X-ray analysis (SEM/EDX), transmission electron microscopy (TEM), atomic force microscopy (AFM), Raman spectroscopy, X-ray diffraction (XRD) and Zeta-potential analyzer. The proposed sensor (Au@TiO2/MWCNTs/GCE) was investigated electrochemically using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The analytical performance of the sensor was evaluated towards H2O2 using differential pulse voltammetry (DPV). The proposed sensor exhibited excellent stability and sensitivity with a linear concentration …
Lipophilic Probes For Cellular Ethylene Detection,
2022
University of Denver
Lipophilic Probes For Cellular Ethylene Detection, Morgan R. Brown
Electronic Theses and Dissertations
The structure of ethylene is simple, yet its biological effects are significant. When considering its role in biology it is almost exclusively regarded as a plant hormone. Research on ethylene from plants was progressed by several advancements in analytical instrumentation, from its discovery to elucidation of its signaling pathway. There is currently limited understanding of ethylene’s role in mammals, but evidence suggests that it may be a biomarker for oxidative stress! Additional tools and technology are crucial to study this surprising and important signaling role in mammals. Our group has developed molecular ethylene probes as a strategy to detect ethylene …
Esipt-Enabled Alkyne Migration Provides Rapid Access To Benzoxazinones,
2022
University of Denver
Esipt-Enabled Alkyne Migration Provides Rapid Access To Benzoxazinones, Andrés G. Muñoz
Electronic Theses and Dissertations
Benozoxazinones have long been of interest to agrochemical scientists and medicinal chemists because of their widespread biological activity. These scaffolds are also of interest to synthetic chemists, who recognize the utility of benzoxazinones for accessing functionalized heterocycles. The use of efavirenz, a benzoxazinone-based reverse transcriptase inhibitor used in the treatment of HIV-1, has brought increased attention to this privileged pharmacophore. While there exist numerous strategies for synthesizing benzoxazinones, methods that do not require the use of acutely toxic and environmentally hazardous reagents are lacking. Consequently, there is a need to develop new methods for constructing this valuable scaffold. Herein, we …
Modelling Quinones Using Density Functional Theory,
2022
Calvin University
Modelling Quinones Using Density Functional Theory, David Ruiter, Madeleine Callan, Elijah Gruszecki, Maya Nambisan, Dr. K. V. Lakshmi
Summer Research
We modelled benzoquinone (BQ), dichlorobenzoquinone (DCBQ), and dimethylbenzoquinone (DMBQ) using the ORCA quantum chemistry computation suite. We obtained singlepoint energies, electron and spin densities, and the hyperfine coupling values for each molecule suspended in dimethyl sulfoxide (DMSO) and isopropyl alcohol (IPA). In most cases, we find close agreement with published literature values.
An Approach To The Synthesis Of 3-Quinazolinedione Carboxylic Acids: Putative Antibiotics,
2022
Calvin University
An Approach To The Synthesis Of 3-Quinazolinedione Carboxylic Acids: Putative Antibiotics, Colton J. Stonehouse, Michael Barbachyn
Summer Research
Bacterial resistance to antibiotics is a growing public health threat. Each year, more than 2.8 million antibioticresistant infections occur in the United States and 35,000 people die as a consequence. Fluoroquinolone (FQ) agents targeting the essential bacterial type II topoisomerases DNA gyrase and topoisomerase IV, exemplified by ciprofloxacin, have been in clinical use since the 1980’s and shown to be useful antibiotics. Unfortunately, heavy use of the FQs has inevitably led to the development of FQ-resistant pathogens
Development Of New Photochemical Tools For Applications In Cancer Research And Enzymatic Signaling,
2022
Wayne State University
Development Of New Photochemical Tools For Applications In Cancer Research And Enzymatic Signaling, Nicholas Paul Toupin
Wayne State University Dissertations
Photochemical tools empower researchers to act with precision and control over the cellular environment through production of reactive oxygen species (ROS), targeted drug delivery, and modulation of enzymatic activity. These molecular tools use light as a readily available, biorthogonal reagent for initiating advantageous light-activated reactions. Using light in this way allows researchers to affect the cellular environment in specific ways with high spatio-temporal control. This dissertation focuses on expanding the applications of, mostly Ru(II)-based, photoactivated chemicals. Complexes of this type are able to act as photosensitizers in photodynamic therapy (PDT), as photocages (PCT), or as dual-action compounds capable of both …
Phenanthroline-Catalyzed 1,2-Cis Glycosylation: Scope And Mechanism,
2022
Wayne State University
Phenanthroline-Catalyzed 1,2-Cis Glycosylation: Scope And Mechanism, Jiayi Li
Wayne State University Dissertations
Phenanthroline, a rigid and planar organic compound with two fused pyridine rings, has been used as a powerful ligand for metals and a binding agent for DNA/RNA. We recently discovered that phenanthroline could be used as a nucleophilic catalyst to access high yielding and diastereoselective α-1,2-cis glycosides through the coupling of hydroxyl acceptors with α-glycosyl bromide donors. The utility of the phenanthroline catalysis is expanded to sterically hindered hydroxyl nucleophiles and chemoselective coupling of an alkyl hydroxyl group in the presence of a free C1-hemiacetal functionality. In addition, the phenanthroline-based catalyst has a pronounced effect on site-selective couplings of triol …
Whole Exome Sequencing Identifies A Novel Mutation In Aspm And Ultra-Rare Mutation In Cdk5rap2 Causing Primary Microcephaly In Consanguineous Pakistani Families,
2022
Government College University, 38000, Faisalabad, Pakistan
Whole Exome Sequencing Identifies A Novel Mutation In Aspm And Ultra-Rare Mutation In Cdk5rap2 Causing Primary Microcephaly In Consanguineous Pakistani Families, Ehtisham Ul Haq Makhdoom, Haseeb Anwar, Shahid Mahmood Baig, Ghulam Hussain
Department of Biological & Biomedical Sciences
Background & objectives: Primary Microcephaly (MCPH) is a rare neurogenetic disease, manifesting congenitally reduced head circumference and non-progressive intellectual disability (ID). To date, twenty-eight genes with biallelic mutations have been reported for this disorder. The study aimed for molecular genetic characterization of Pakistani families segregating MCPH.
Methods: We studied two unrelated consanguineous families (family A and B) presenting >2 patients with diagnostic symptoms of MCPH, born to asymptomatic parents. We employed whole-exome sequencing (WES) of probands to find putative causal mutations. The candidate variants were further confirmed and analyzed for co-segregation by Sanger sequencing of all available members of each …
Biomimetic Synthesis Of Palladium Nanoparticles For Catalytic Application,
2022
Georgia Southern University
Biomimetic Synthesis Of Palladium Nanoparticles For Catalytic Application, Emily A. Groover
College of Graduate Studies: Theses & Dissertations
The synthesis of palladium nanoparticles (Pd NPs) using materials-directed peptides is a novel, nontoxic approach which exerts a high level of control over the particle size and shape. This biomimetic technique is environmentally benign, featuring nonhazardous ligands and ambient conditions. Nanoparticles are extremely reactive catalysts, boasting a large surface-to-volume ratio when compared to their bulk counterparts. The rational design of these nanoparticles using peptides has been very successful in aqueous environments, but no research has been done to apply it in organic systems. As such, the biomimetic synthesis of Pd NPs in an organic system is here investigated, with ethanol …
Synthesis Of Functional Chalcone Library For Use In Aza- Dipyrromethene Dye Systems,
2022
Murray State University
Synthesis Of Functional Chalcone Library For Use In Aza- Dipyrromethene Dye Systems, Kendal Crawley
Murray State Theses and Dissertations
Over the past decade, Aza-Bodipy dyes (ADPs), a derivative of the extensively studied BF2-dipyrromethene (BODIPY), have become a growing field of research due to their unique photophysical properties, high yielding synthesis, and relative stability. They possess a unique spectral window of 600 to 750 nm which is the red to near-IR region, evidenced by the blue color of many of these dyes. Increasing interest in these dyes is due to this near-IR window which is important for many applications.1-4 ADP chromophores also have a common core motif to that of phthalocyanines which allow for coordination at their …
Microbial Labilization And Diversification Of Pyrogenic Dissolved Organic Matter,
2022
Old Dominion University
Microbial Labilization And Diversification Of Pyrogenic Dissolved Organic Matter, Aleksandar I. Goranov, Andrew S. Wozniak, Kyle W. Bostick, Andrew R. Zimmerman, Siddhartha Mitra, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
With the increased occurrence of wildfires around the world, interest in the chemistry of pyrogenic organic matter (pyOM) and its fate in the environment has increased. Upon leaching from soils by rain events, significant amounts of dissolved pyOM (pyDOM) enter the aquatic environment and interact with microbial communities that are essential for cycling organic matter within the different biogeochemical cycles. To evaluate the biodegradability of pyDOM, aqueous extracts of laboratory-produced biochars were incubated with soil microbes, and the molecular changes to the composition of pyDOM were probed using ultrahigh-resolution mass spectrometry (Fourier transform–ion cyclotron resonance–mass spectrometry). Given that solar irradiation …
Marcadores Moleculares Subrogados A La Repelencia Al Agua En Suelos Afectados Por El Fuego,
2022
Old Dominion University
Marcadores Moleculares Subrogados A La Repelencia Al Agua En Suelos Afectados Por El Fuego, Nicasio T. Jiménez-Morillo, Gonzalo Almendros, Nuno Guiomar, Ana Z. Miller, Cristina Barrocas-Dias, José M. De La Rosa, Patrick G. Hatcher, José A. González-Pérez
Chemistry & Biochemistry Faculty Publications
Soil water repellency (SWR) is often attributed to the accumulation of hydrophobic organic compounds, mainly lipids. Nonetheless, lipid extraction not always suppress SWR and unextractable soil constituents may be related with residual SWR. Burnt (B) and unburnt (UB) soils (Doñana National Park, Huelva) under two vegetations (cork oak and heather) and two soil fractions, coarse (1–2 mm) and fine (
Pd-Based Photocatalysts For Heck C-C Cross-Coupling Reactions,
2022
Eastern Illinois University
Pd-Based Photocatalysts For Heck C-C Cross-Coupling Reactions, Suha Ali Alshehri
Masters Theses
Heck C-C cross-coupling reaction has been widely employed in synthetic organic chemistry because of its high efficiency and simplicity, however the conventional Heck C-C cross-coupling reaction conditions involve the use of an expensive toxicant phosphine-ligated palladium complexes, and high temperature. To address these drawbacks, a highly efficient, homogeneous photocatalyst based on BODIPY for the Heck C-C cross-coupling reactions of aryl iodide and methyl acrylate in DMF solvent under inert conditions has been developed. The 4-Py-BDP-Pd, 3-Py-BDP-Pd and, 2-Py-BOD-Pd catalysts were synthesized and purified using column chromatography. The optical properties of products and intermediates were studied by UV/vis absorption and fluorescence …
Methodology Studies For Dearomatized Dimer And Beta-Lactone-Mediated Native Chemical Ligation In Organic Synthesis,
2022
University at Albany, State University of New York
Methodology Studies For Dearomatized Dimer And Beta-Lactone-Mediated Native Chemical Ligation In Organic Synthesis, Xinhao Fan
Legacy Theses & Dissertations (2009 - 2024)
Chapter 1: Dimers of naphthalenol derivatives were synthesized by photocatalysis, cobalt(II) acetylacetonate. Several functional groups were tolerant of its skeleton. This novel dimer was connected through a reversible sigma bond. Its reversibility was confirmed by chiral HPLC and 1H-NMR experiments. Through EPR and Stern-Volmer quenching experiments, we proposed the reaction mechanism. The reversibility property can be potentially beneficial in polymers, self-healing, and memory materials.Chapter 2: We report an epimerization-free native chemical ligation reaction by β-lactone-mediated peptides. This approach can achieve Thr-Xaa efficiently and rapidly. Besides, it has a broad side-chain tolerance. Through the competition reaction experiment, it was demonstrated that …
Development Of Accurate And Efficient Computational Methodologies For Predicting Protein-Ligand And Protein-Protein Binding Free Energies,
2022
University of Kentucky
Development Of Accurate And Efficient Computational Methodologies For Predicting Protein-Ligand And Protein-Protein Binding Free Energies, Alexander Hamilton Williams
Theses and Dissertations--Pharmacy
Computational modeling is an invaluable tool in the drug discovery process either for small ligand or protein therapeutics. The widespread availability of protein X-Ray Crystal and Cryo-Electron Microscopy (Cryo-EM) structures has allowed for more accurate molecular dynamics (MD) simulations that are not reliant on methods such as homology modeling, which may produce structures that require significant computational time to demonstrate their stability. In this thesis we describe several novel methodologies for the computationally efficient modeling of protein/ligand and protein/protein complexes that may be employed within both large-scale virtual screenings and lead compound optimization. These methodologies may also be utilized in …
Molecular Engineering Of Self-Immolative Polymers As Chemically Responsive Temporary Adhesives For Protective Garments,
2022
Dartmouth College
Molecular Engineering Of Self-Immolative Polymers As Chemically Responsive Temporary Adhesives For Protective Garments, Hana J. Yarbrough
Dartmouth College Master’s Theses
The long-term goal of this thesis is to design novel chemical protective garments that both shield and sense for chemical warfare agents. The overarching hypothesis of this work is that joining textiles with a chemically responsive temporary adhesive will reduce the permeability of and detect hazardous analytes across fabric boundaries. Work towards achieving this goal and testing this hypothesis is separated into two chapters. The first chapter reports the development of a self-immolative polymer, poly(phthalaldehyde), into a stimuli-responsive temporary adhesive. Developing poly(phthalaldehyde) as a robust adhesive that rapidly releases substrates would be a significant and novel contribution to the fields …
Synthesis Of Β,Β-Disubstituted Styrenes Via Trimethylsilyl Trifluoromethanesulfonate-Promoted Aldehyde-Aldehyde Aldol Addition-Deformylative Elimination.,
2022
University of Richmond
Synthesis Of Β,Β-Disubstituted Styrenes Via Trimethylsilyl Trifluoromethanesulfonate-Promoted Aldehyde-Aldehyde Aldol Addition-Deformylative Elimination., Grant J. Dixon, Michael R. Rodriguez, Tyler G. Chong, Kevin Y. Kim, C. Wade Downey
Chemistry Faculty Publications
In the presence of trimethylsilyl trifluoromethanesulfonate (TMSOTf) and 2,6-lutidine, α,α-disubstituted aldehydes condense with electron-rich aromatic aldehydes to yield β, β- disubstituted styrenes. More electron-rich aromatic aldehydes react more rapidly and in higher yield. Preliminary results suggest that the reaction may proceed via the ionization and formal deformylation of an aldol intermediate.
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane,
2022
University of Wisconsin-Madison
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH2 scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …
The Acute Physiological Response Of Polar Bears To Helicopter Capture,
2022
Old Dominion University
The Acute Physiological Response Of Polar Bears To Helicopter Capture, John P. Whiteman, Henry J. Harlow, George M. Durner, Eric V. Regehr, Steven C. Amstrup, Anthony M. Pagano, Merav Ben-David
Biological Sciences Faculty Publications
Many wildlife species are live captured, sampled, and released; for polar bears (Ursus maritimus) capture often requires chemical immobilization via helicopter darting. Polar bears reduce their activity for approximately 4 days after capture, likely reflecting stress recovery. To better understand this stress, we quantified polar bear activity (via collar‐mounted accelerometers) and body temperature (via loggers in the body core [Tabd] and periphery [Tper]) during 2–6 months of natural behavior, and during helicopter recapture and immobilization. Recapture induced bouts of peak activity higher than those that occurred during natural behavior for 2 of 5 bears, …
