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Articles 1 - 30 of 1129
Full-Text Articles in Chemistry
The Sigma Ring And Other Distinctive Features Of Surface Potentials Of Group 1 Systems, Kelling J. Donald, Victoria Rankin, Brice Di Carlo, Jonathan E. Findley, Ethan B. Leonard
The Sigma Ring And Other Distinctive Features Of Surface Potentials Of Group 1 Systems, Kelling J. Donald, Victoria Rankin, Brice Di Carlo, Jonathan E. Findley, Ethan B. Leonard
Chemistry Faculty Publications
For a sigma hole induced on a terminal atom, such as a halogen atom (X) in a molecule R-X, it is commonly expected that the maximum potential in that sigma hole will arise along the extension of the R-X bond, opposite the overlap region. We find, however, that for the majority of group 1 halides (MX) that expectation fails. Conventional sigma holes appear on Na in its halides and hydrides, but not so for M = K, Rb, or Cs. Instead, a sigma ring─a latitudinal ring maximum─is observed in the surface potentials of those molecules. That anomaly is examined, and …
Friedel–Crafts Addition Of 3-Alkylated Indoles To Aldehydes: 2-Hydroxyalkylation Promoted By Trimethylsilyl Trifluoromethanesulfonate, Eric Zhou, Helen Xia, C. Wade Downey
Friedel–Crafts Addition Of 3-Alkylated Indoles To Aldehydes: 2-Hydroxyalkylation Promoted By Trimethylsilyl Trifluoromethanesulfonate, Eric Zhou, Helen Xia, C. Wade Downey
Chemistry Faculty Publications
In the presence of trimethylsilyl trifluoromethanesulfonate (TMSOTf) and 2,6-lutidine, 3-alkylated indoles undergo Friedel–Crafts silyloxyalkylation when treated with nonenolizable aldehydes. The reaction is general across a wide range of aromatic aldehydes and tolerates a variety of N-alkylated indoles. Deprotection of the silylated product occurs under standard conditions, and in certain cases the initial TMS-protected product can be isolated in high yield.
Herbularyo (Folk Healer): An Herbal Medicine Card Game, Maryjane T. Magsino, Inah Marie Q. Rivera, Armando M. Guidote, Genejane M. Adarlo
Herbularyo (Folk Healer): An Herbal Medicine Card Game, Maryjane T. Magsino, Inah Marie Q. Rivera, Armando M. Guidote, Genejane M. Adarlo
Chemistry Faculty Publications
Herbularyo, a card game teaching about herbal plants (HPs), was created and evaluated as a viable educational card game based on Tuomisto and Aksela’s criteria. A quasi-experiment was performed on 81 Grade 8 students from a private high school and 50 Grade 11 from a public high school. Independent t-test revealed that the control group (CG) and experimental group (EG) (p=0.386), and EG1 (played ≤5) and EG2 (played >5) (p=0.681) are not comparable with each other. Paired t-test showed EG performed better (p=0.001) than CG (p=0.901) whereas ANCOVA showed that playing Herbularyo improved students’ information retention (p=0.006). EG1 and EG2 …
The Impact Of An Interactive Open Education Textbook For An Undergraduate Introductory Chemistry Course For Nonmajors, Erin Avram
Chemistry Faculty Publications
Reading informational text is a critical skill across most professions. Unfortunately, students are less likely to purchase the required course materials now compared to 2010. A free, interactive text was developed for an introductory chemistry course for non-STEM majors. This involved remixing existing texts and incorporating interactive activities to engage students during the learning process and provide opportunities for them to gauge their learning. Based on the results of a student survey, 82% of students reported that it was very important to them that the text was free and 80% of students who responded reported that they used the eText …
Desialylation And Sialidase Secretion From Monocytes And Macrophages Upon Lps Activation, Yu Zhao, Majdi Aljohani, Morgan Pychowycz, Xue-Long Sun
Desialylation And Sialidase Secretion From Monocytes And Macrophages Upon Lps Activation, Yu Zhao, Majdi Aljohani, Morgan Pychowycz, Xue-Long Sun
Chemistry Faculty Publications
Introduction The cell surface expresses a dense layer of glycans often terminated with sialic acids (Sias), known as sialylation, which represents different cellular statuses. Meanwhile, the removal of Sias from the glycans catalyzed by sialidase (desialylation) is also involved in many biological processes, such as inflammatory responses. Previous studies demonstrated that desialylation is involved in LPS/TLR4 signaling pathway and pro-inflammatory cytokine production. In this report, we systematically profiled desialylation and sialidase activity, expression and secretion from monocytes and macrophages upon LPS activation.Methods THP-1 monocytes and THP-1 macrophages were activated by LPS (100 ng/mL) for 24 hours. The cellular Sia changes …
Design, Synthesis, And Bioevaluation Of Moxifloxacin Hydrazide Metal Complexes: Integrated Spectroscopic, Computational, Antimicrobial, And Anticancer Investigations, Abbas Mamdoh Abbas, Sara Reda Fisal, Ibrahim A.I. Ali, W. Christropher Boyd, Haitham F. Kalil, Adel Sayed Orabi
Design, Synthesis, And Bioevaluation Of Moxifloxacin Hydrazide Metal Complexes: Integrated Spectroscopic, Computational, Antimicrobial, And Anticancer Investigations, Abbas Mamdoh Abbas, Sara Reda Fisal, Ibrahim A.I. Ali, W. Christropher Boyd, Haitham F. Kalil, Adel Sayed Orabi
Chemistry Faculty Publications
This study reports the synthesis, spectroscopic characterization, and biological evaluation of a novel moxifloxacin hydrazide derivative (MOX-H) and its metal complexes with Co(II), Ni(II), Cu(II), VO(IV), and Gd(III). The ligand was synthesized by hydrazinolysis of moxifloxacin hydrochloride, and the resulting hydrazide was subsequently complexed with the respective metal salts. The interaction between MOX-H and the metal ions yielded the corresponding complexes, formulated as [Co(H2O)Cl(MOX-H)2]Cl & centerdot;2.5H2O, [Ni(H2O)Cl(MOX-H)2]Cl.4.5H2O, [VO(MOX-H)2]SO4.3.5H2O, [Gd (H2O)(MOX-H)2(NO3)2]NO3.2H2O, and [Cu(MOX-H)2(H2O)Cl]Cl & centerdot;xH2O (where x = 2, 2.5, 0.5, for products synthesized via template, microwave-assisted, and hydrothermal methods, respectively). The synthesized analogues were characterized by elemental analysis (CHN), FT-IR, …
Design Of Nanomaterial-Based Sensors For Enhanced Halogen Bonding, Ben H. Edelman, Charles W. Sheppard, Lucas A. Chuidian, Arielle Vinnikov, Felix Bevc, Lillian B. Hughes, Carol A. Parish, Michael C. Leopold
Design Of Nanomaterial-Based Sensors For Enhanced Halogen Bonding, Ben H. Edelman, Charles W. Sheppard, Lucas A. Chuidian, Arielle Vinnikov, Felix Bevc, Lillian B. Hughes, Carol A. Parish, Michael C. Leopold
Chemistry Faculty Publications
Halogen bonding is a highly directional, noncovalent, intermolecular interaction which has been harnessed for a variety of applications, including sensor design. A halogen bond (XB) is formed between a region of positive electrostatic potential on a halogen atom (X) and electron rich portions of target molecules. The strength of XB interactions relies on shorter XB bond distances and more linear R–X···B bond angles, which facilitate stronger, more negative binding energies. While prior studies have sought to maximize interactions, few have explored or experimentally demonstrated how geometries and bond angles can enhance XB interactions. Herein, fundamental studies are conducted at self-assembled …
Supramolecular Self-Assemblies Of Ru( Ii ) Phototherapeutics: Biological Activity Of Micro- And Nano-Particles Acting As Reservoirs, Jérôme Laisney, Sarah M. Kriger, Dmytro Havrylyuk, Jason M. Unrine, David K. Heidary, Edith C. Glazer
Supramolecular Self-Assemblies Of Ru( Ii ) Phototherapeutics: Biological Activity Of Micro- And Nano-Particles Acting As Reservoirs, Jérôme Laisney, Sarah M. Kriger, Dmytro Havrylyuk, Jason M. Unrine, David K. Heidary, Edith C. Glazer
Chemistry Faculty Publications
Ruthenium( II) coordination complexes have many appealing properties as prodrugs, but can suffer from poor aqueous solubility and short circulation times, drastically decreasing efficiency in vivo. Nanoformulations using a variety of carriers, such as inclusion in polymers/lipids or adsorption on inorganic nanoparticles have been applied to overcome this limitation, but unfortunately, these approaches raise additional concerns regarding the fate of the carriers, with potential long-term toxicity and accumulation in vital organs. Here, we present an alternative delivery strategy with formation of pure and polymer-supported supramolecular self-assemblies of Ru(II) complexes acting as ‘‘reservoirs’’. A facile preparation of size-controlled particles was achieved …
Characterization And Antimicrobial Activity Of Lignin-Derived Compounds In Ground Hurd Tissue Of Cannabis Sativa L. (Hemp) Cultivars, Jourdan E. Lakes, Anjam Sadik, Robert C. Pearce, Barbara L. Knutson, Stephen E. Rankin, Bert C. Lynn, Michael D. Flythe
Characterization And Antimicrobial Activity Of Lignin-Derived Compounds In Ground Hurd Tissue Of Cannabis Sativa L. (Hemp) Cultivars, Jourdan E. Lakes, Anjam Sadik, Robert C. Pearce, Barbara L. Knutson, Stephen E. Rankin, Bert C. Lynn, Michael D. Flythe
Chemistry Faculty Publications
Objectives: Characterize lignin-derived compounds from the hurd of 10 fiber/grain Cannabis sativa L. cultivars and investigate the antimicrobial activity of select compounds on the wasteful ruminant bacterium, Acetoanaerobium sticklandii SR. Methods: Hurd was processed using an aqueous ethanol solvent system and analyzed via GC-MS to identify and characterize lignin derivatives. Antimicrobial activity of the hurd and three monomers was assessed using solid (hurd) and liquid medium (monomers) bioassays against SR. Results: 27 compounds were identified, most as monomers but a few were dimers, ethylated derivatives, and organic acids. There were approximately equal G- and S-units with substantially fewer H-units. Several …
Enhanced Photostability Through Rapid Exciton Decay In Desymmetrized Cyclopentannulated Acenes With Strong Face-To-Face Pi Stacking, Chad D. Cruz, Karl J. Thorley, Zachary J. Knepp, Jared Wahlstrand, Gil M. Repa, John C. Stephenson, Sean Parkin, Lisa A. Fredin, John E. Anthony, Emily G. Bittle
Enhanced Photostability Through Rapid Exciton Decay In Desymmetrized Cyclopentannulated Acenes With Strong Face-To-Face Pi Stacking, Chad D. Cruz, Karl J. Thorley, Zachary J. Knepp, Jared Wahlstrand, Gil M. Repa, John C. Stephenson, Sean Parkin, Lisa A. Fredin, John E. Anthony, Emily G. Bittle
Chemistry Faculty Publications
The photophysics of organic semiconductors impacts their efficiency in optoelectronic devices where exciton transitions, including singlet fission, intersystem crossing and the formation of charge transfer states influence the ability to convert between bright and dark states and to dissociate into free charges. Unfortunately, photodegradation and spurious signals often confound the results of optical studies, especially of important triplet states. Here four asymmetric cyclopentannulated acenes are synthesized and studied. This system represents an extreme in photophysics achieved via molecular design to fully quench the photoluminescence and bypass triplet formation allowing for comparative studies with other highly absorbing acenes. Rapid molecular exciton …
Understanding The Fidelity And Specificity Of Dna Polymerase I, Bill R. Miller Iii, Andrew V. Yeager, Jake A. Collins, Alexis Blake, Elise Tate, Carol A. Parish, Eugene Y. Wu
Understanding The Fidelity And Specificity Of Dna Polymerase I, Bill R. Miller Iii, Andrew V. Yeager, Jake A. Collins, Alexis Blake, Elise Tate, Carol A. Parish, Eugene Y. Wu
Chemistry Faculty Publications
High-fidelity DNA polymerases employ complex mechanisms to catalyze template-dependent DNA synthesis while quickly discarding mismatches. Atomic-level structural details about short-lived states during nucleotide discrimination are necessary to gain insight into the kinetic checkpoints that contribute to fidelity. We performed microsecond molecular dynamics simulations of DNA polymerase I, large fragment, from Bacillus stearothermophilus (Bacillus fragment, or BF) in complex with a template guanine and a mismatched thymidine triphosphate to observe the early events in the process of selection against a mismatch. Although the nucleobases formed a wobble base pair early, the mismatched pair was blocked from fully entering the active site …
Sigma-Hole-Supported Interactions In Complexes Of Group 5 Oxyhalides (Mox3) With Insights For Their Extended Solids, Donovan Hoilette Jr., Gabriel F. Stewart, Kelling J. Donald
Sigma-Hole-Supported Interactions In Complexes Of Group 5 Oxyhalides (Mox3) With Insights For Their Extended Solids, Donovan Hoilette Jr., Gabriel F. Stewart, Kelling J. Donald
Chemistry Faculty Publications
The existence and nature of sigma hole type interactions in inorganic extended solids remain largely unexamined, even though the influence of such interactions for heteroorganic compounds is well known. The series of group 5 MOX3oxyhalides are intriguing in this regard since several of the known crystal structures are molecular solids with highly polarized M centers. We examine computationally the bonding in the isolated MOX3 molecules and their smallest clusters (MOX3)nwhere M = V, Nb, and Ta, and X = H, F, Cl, Br, and I. That investigation provides us with substantial evidence, based …
Synthesis And Characterization Of Eco-Engineered Hollow Fe2o3/Carbon Nanocomposite Spheres: Evaluating Structural, Optical, Antibacterial, And Lead Adsorption Properties, Islam Gomaa, Nikita Yushin, Mekki Bayachou, Vojislav Stani´, Inga Zinicovscaia
Synthesis And Characterization Of Eco-Engineered Hollow Fe2o3/Carbon Nanocomposite Spheres: Evaluating Structural, Optical, Antibacterial, And Lead Adsorption Properties, Islam Gomaa, Nikita Yushin, Mekki Bayachou, Vojislav Stani´, Inga Zinicovscaia
Chemistry Faculty Publications
This work presents a facile mechano-thermal route for the synthesis of carbon-decorated, hollow, mesoporous alpha-Fe2O3 microspheres. Comprehensive characterization (XRD, XPS, FT-IR, SEM/EDX, TGA, zeta-potential) confirmed the formation of phase-pure hematite with nanoscale crystallites (similar to 19 nm), substantial residual surface carbon (similar to 40 wt%) consistent with Fe-O-C linkages, and a positive surface charge (+15.9 mV). The hierarchical hollow/mesoporous architecture enables fast ion transport and provides extensive interior binding sites, resulting in rapid Pb(II) uptake that reaches 92% removal in approximate to 15 min at pH 5.0. The adsorption follows a Langmuir isotherm (q(max) approximate to 70.6 mg/g) and pseudo-second-order …
Effect Of Chalcogen-Phosphorus Substituents On Enediynes Undergoing The Bergman Cyclization, Marcos Hendler, Travis Greene, Dominic A. Siriani, Carol A. Parish
Effect Of Chalcogen-Phosphorus Substituents On Enediynes Undergoing The Bergman Cyclization, Marcos Hendler, Travis Greene, Dominic A. Siriani, Carol A. Parish
Chemistry Faculty Publications
We have theoretically characterized electrocyclizations of chalcogen-phosphorus-containing enediynes. We performed quantum calculations at the BS-(U)CCSD/cc-pVDZ level to analyze the geometries and energetics of two different cyclization pathways, each consisting of the first three chalcogens (oxygen, sulfur, and selenium). The first pathway involved the cyclization of the chalcogen-phosphorus substituents followed by Bergman cyclization, while the second pathway proceeded via Bergman cyclization followed by chalcogen-phosphorus cyclization. To more accurately understand the energies of the diradicals involved in each pathway, we also performed spin-flip characterizations using UHF reference wave functions and the spin-flip formulation of the equation-of-motion coupled cluster theory with singles and …
Tmco1 As An Endoplasmic Reticulum Calcium Load-Activated Channel: Mechanisms And Disease Implications, Jingbo Wang, Panpan Zhu, Zhuohang Li, Xiaohui Su, Mingzhu Qi, Aimin Zhou, Xiangying Kong
Tmco1 As An Endoplasmic Reticulum Calcium Load-Activated Channel: Mechanisms And Disease Implications, Jingbo Wang, Panpan Zhu, Zhuohang Li, Xiaohui Su, Mingzhu Qi, Aimin Zhou, Xiangying Kong
Chemistry Faculty Publications
Calcium ions (Ca2+) play a vital role in many biological processes. Transmembrane and coiled-coil domain 1 (TMCO1) has been characterized as an endoplasmic reticulum (ER) transmembrane protein in recent years. It keeps the cytoplasm and ER's Ca2+ homeostasis stable by acting as a novel calcium channel. Studies from different laboratories have revealed that the mutation or deficiency of TMCO1 is closely correlated with several diseases, including cerebro-facio-thoracic dysplasia (CFTD), glaucoma, premature ovarian failure (POF), osteoporosis, and cancer. Here, we review the characteristics of TMCO1 and its involvement in related diseases, which may provide useful information for developing therapeutic strategies for …
Instability Of The Octahedral Symmetry In Si8o12h8 And Ge8o12h8: A Consequence Of The Pseudo-Jahn–Teller Effect, Jules Tshishimbi Muya, Arnout Ceulemans, Carol A. Parish
Instability Of The Octahedral Symmetry In Si8o12h8 And Ge8o12h8: A Consequence Of The Pseudo-Jahn–Teller Effect, Jules Tshishimbi Muya, Arnout Ceulemans, Carol A. Parish
Chemistry Faculty Publications
The symmetry breaking in octahedral silsesquioxane and its germanium analogues (Si8O12H8 and Ge8O12H8) has been investigated using the M06-2X/6-31++G(3df, 3pd) method and group theory. Both structures undergo symmetry breaking, characterized by pseudo-Jahn−Teller stabilization energies of 0.22 kcal/mol for Si-POSS and 9.82 kcal/mol for Ge-POSS. Under the influence of the pseudo-Jahn–Teller effect, the distortion vector involves the vibrational a2g mode with imaginary frequency. The distortion forces in Oh-POSS are predominantly localized on the oxygen atoms and driven by the coupling between the lowest unoccupied molecular orbital (a1g) and the highest occupied molecular orbital (a2g). The symmetry breaking is attributed to a …
Tafazzin-Deficient Zebrafish Display Mitochondrial Dysfunction, Neutropenia, And Metabolic Defects Without Myopathy, Usua Oyarbide, Rebecca A. Anderson, Igor Radzikh, Jillian V. Kodger, Akshay S. Patil, Morgan Staton, Anny Mulya, Genevieve M. Crane, Silvio Litovsky, Yana I. Sandlers, Seth J. Corey
Tafazzin-Deficient Zebrafish Display Mitochondrial Dysfunction, Neutropenia, And Metabolic Defects Without Myopathy, Usua Oyarbide, Rebecca A. Anderson, Igor Radzikh, Jillian V. Kodger, Akshay S. Patil, Morgan Staton, Anny Mulya, Genevieve M. Crane, Silvio Litovsky, Yana I. Sandlers, Seth J. Corey
Chemistry Faculty Publications
Barth syndrome is an X-linked syndrome characterized by cardiomyopathy, skeletal myopathy, and neutropenia. This life-threatening disorder results from loss-of-function mutations in TAFAZZIN, which encodes a phospholipid-lysophospholipid transacylase located in the mitochondria inner membrane. Decreased cardiolipin levels and increased monolysocardiolipin levels perturb mitochondrial function. However, the mechanism(s) leading to myopathies and neutropenia are unknown, and no currently effective therapy exists. To address these knowledge gaps, we generated tafazzin-deficient zebrafish. Neutropenia developed 5 days post-fertilization, but surprisingly no cardiac or skeletal myopathies were detected into adulthood. tafazzin mutants displayed multiple metabolic disturbances like those observed in humans with Barth syndrome. These include …
Utilization Of Flow Cytometry, Metabolomic Analyses And A Feline Infectious Peritonitis Case Study To Evaluate The Physiological Impact Of Polyprenyl Immunostimulant, Irene Lee, Amar Desai, Akshay Patil, Yan Xu, Kelley Pozza-Adams, Anthony J. Berdis
Utilization Of Flow Cytometry, Metabolomic Analyses And A Feline Infectious Peritonitis Case Study To Evaluate The Physiological Impact Of Polyprenyl Immunostimulant, Irene Lee, Amar Desai, Akshay Patil, Yan Xu, Kelley Pozza-Adams, Anthony J. Berdis
Chemistry Faculty Publications
Measles, hepatitis C, and COVID-19 are significant human diseases caused by RNA viruses. While vaccines exist to prevent infections, there are a small number of currently available therapeutic agents that can effectively treat these diseases after infection occurs. This study explores a new therapeutic strategy using a small molecule designated polyprenyl immunostimulant (PI) to increase innate immune responses and combat viral infections. Using a multi-disciplinary approach, this study quantifies the effects of PI in mice and THP-1 cells using flow cytometry to identify immune phenotypic markers and mass spectroscopy to monitor the metabolomic profiles of immune cells perturbed by PI …
Novel Trimethoprim-Based Metal Complexes And Nanoparticle Functionalization: Synthesis, Structural Analysis, And Anticancer Properties, Abbas M. Abbas, Hossam H. Nasrallah, A. Aboelmagd, W. Christropher Boyd, Haitham F. Kalil, Adel S. Orabi
Novel Trimethoprim-Based Metal Complexes And Nanoparticle Functionalization: Synthesis, Structural Analysis, And Anticancer Properties, Abbas M. Abbas, Hossam H. Nasrallah, A. Aboelmagd, W. Christropher Boyd, Haitham F. Kalil, Adel S. Orabi
Chemistry Faculty Publications
In this study, we synthesized a novel trimethoprim derivative, 4-(((2-amino-5-(3,4,5-trimethoxybenzyl) pyrimidine-4-yl)imino)methyl)benzene-1,3-diol (HD), by the reaction of trimethoprim with 2,4-dihydroxybenzaldehyde. We then prepared metal complexes of this derivative with Cu(II), Co(II), Ni(II), Ag(I), and Zn(II) and functionalized them with ZnO and Au nanoparticles. Their structures were confirmed through 1H NMR, mass spectrometry, FTIR, conductivity, thermal analysis, magnetic susceptibility, X-ray diffraction, UV-Vis spectroscopy, and TEM, revealing octahedral geometries for all complexes. Surface features were investigated using density functional theory (DFT) analysis. Pharmacokinetic parameters and target enzymes for HD and its complexes were computed using the SwissADME web tool, with the BOILED-Egg model …
Analysis Of 26 Studies Of The Impact Of Coconut Oil On Lipid Parameters: Beyond Total And Ldl Cholesterol, Mary T. Newport, Fabian M. Dayrit
Analysis Of 26 Studies Of The Impact Of Coconut Oil On Lipid Parameters: Beyond Total And Ldl Cholesterol, Mary T. Newport, Fabian M. Dayrit
Chemistry Faculty Publications
Coconut oil (CNO) is often characterized as an “artery-clogging fat” because it is a predominantly saturated fat that ostensibly raises total cholesterol (TChol) and LDL cholesterol (LDL-C). Whereas previous analyses assessed CNO based on the relative effects on lipid parameters against other fats and oils, this analysis focuses on the effects of CNO itself. Here, we review the literature on CNO and analyze 984 lipid profile data sets from 26 CNO studies conducted over the past 40 years. This analysis shows considerable heterogeneity among CNO studies regarding participant selection, the amount consumed, and the study duration. The analysis reveals that, …
Selectivity Effects Of Hydrogen Acceptors And Catalyst Structures In Alcohol Oxidations Using (Cyclopentadienone)Iron Tricarbonyl Compounds, Timothy Funk, Melanie Hempel, Auden Cameron Lampariello, Nicolle Elahian Lopez, Cole Springer, Kimberly Mccaskey, Sneha Jayaram, Kathryn Wnuk-Fink, Bryn Werley
Selectivity Effects Of Hydrogen Acceptors And Catalyst Structures In Alcohol Oxidations Using (Cyclopentadienone)Iron Tricarbonyl Compounds, Timothy Funk, Melanie Hempel, Auden Cameron Lampariello, Nicolle Elahian Lopez, Cole Springer, Kimberly Mccaskey, Sneha Jayaram, Kathryn Wnuk-Fink, Bryn Werley
Chemistry Faculty Publications
Oppenauer-type oxidations are catalyzed by air- and moisture-stable, sustainable, (cyclopentadienone)iron carbonyl compounds, but the substrate scope is limited due to the low reduction potential of acetone, which is the most commonly used hydrogen acceptor. We discovered that furfural, an aldehyde derived from cellulosic biomass, is an effective hydrogen acceptor with this class of catalysts. In general, reactions using furfural as the hydrogen acceptor led to higher isolated yields of ketones and aldehydes compared to those using acetone. Importantly, primary benzylic and allylic alcohols─typically a challenging class of alcohols to oxidize with these catalysts─could be oxidized. The selectivity for primary vs …
Ex Vivo Single-Molecule Analysis Of Ryanodine Receptor 2 Assembly In Cardiac And Neuronal Tissue, Qianye Yin, Christopher I. Richards
Ex Vivo Single-Molecule Analysis Of Ryanodine Receptor 2 Assembly In Cardiac And Neuronal Tissue, Qianye Yin, Christopher I. Richards
Chemistry Faculty Publications
Understanding receptor assembly is critical for elucidating the mechanisms underlying their function and regulation in physiological processes. While traditional in vitro single-molecule studies rely on isolating proteins from heterologous expression systems, they often fail to capture the in vivo physiological complexity involved in the organization and assembly of cell surface proteins. This protocol employs Total Internal Reflection Fluorescence Microscopy (TIRFM) to study GFP-tagged Ryanodine Receptor 2 (RyR2) molecules encapsulated within nanoscale vesicles. These vesicles, generated from organs rapidly extracted from the animal, effectively provide a snapshot of the receptor's assembly state at the time of extraction, enabling detailed analysis of …
Chemoproteomic Profiling Of A Carbon-Stabilized Gold(Iii) Macrocycle Reveals Cellular Engagement With Hmox2, Sailajah Gukathasan, Chibuzor Ngozi Olelewe, Libby Ratliff, Jong H. Kim, Alyson M. Ackerman, J. Robert Mccorkle, Sean Parkin, Gunnar F. Kwakye, Jill M. Kolesar, Samuel G. Awuah
Chemoproteomic Profiling Of A Carbon-Stabilized Gold(Iii) Macrocycle Reveals Cellular Engagement With Hmox2, Sailajah Gukathasan, Chibuzor Ngozi Olelewe, Libby Ratliff, Jong H. Kim, Alyson M. Ackerman, J. Robert Mccorkle, Sean Parkin, Gunnar F. Kwakye, Jill M. Kolesar, Samuel G. Awuah
Chemistry Faculty Publications
In this work, we discovered a novel organometallic gold(III) macrocycle, Au-Mac1, that demonstrates anticancer potency in a panel of triple-negative breast cancer cells (TNBC), and based on this complex, a biotinylated-Au-Mac1 probe was designed for target identification via chemoproteomics, which uncovered the engagement of HMOX2 of the heme-energy metabolism pathway. Using orthogonal chemical biology and molecular biology approaches, including immunoblotting, flow cytometry, and cellular thermal shift assays, it was confirmed that Au-Mac1 engages HMOX2 in cells. Downstream effects of Au-Mac1 on the depletion of mitochondrial membrane proteins and bioenergetics point to the potential role of HMOX2 in cancer. Importantly, Au-Mac1 …
Electrochemical Observation And Ph Dependence Of All Three Expected Redox Couples In An Extremophilic Bifurcating Electron Transfer Flavoprotein With Fused Subunits, Debarati Das, Wassim El Housseini, Monica Brachi, Shelley D. Minteer, Anne-Frances Miller
Electrochemical Observation And Ph Dependence Of All Three Expected Redox Couples In An Extremophilic Bifurcating Electron Transfer Flavoprotein With Fused Subunits, Debarati Das, Wassim El Housseini, Monica Brachi, Shelley D. Minteer, Anne-Frances Miller
Chemistry Faculty Publications
Bifurcating enzymes employ energy from a favorable electron transfer to drive unfavorable transfer of a second electron, thereby generating a more reactive product. They are therefore highly desirable in catalytic systems, for example, to drive challenging reactions such as nitrogen fixation. While most bifurcating enzymes contain air-sensitive metal centers, bifurcating electron transfer flavoproteins (bETFs) employ flavins. However, they have not been successfully deployed on electrodes. Herein, we demonstrate immobilization and expected thermodynamic reactivity of a bETF from a hyperthermophilic archaeon, Sulfolobus acidocaldarius (SaETF). SaETF differs from previously biochemically characterized bETFs in being a single protein, representing a …
Functional Utility Of Gold Complexes With Phosphorus Donor Ligands In Biological Systems, Adedamola S. Arojojoye, Samuel G. Awuah
Functional Utility Of Gold Complexes With Phosphorus Donor Ligands In Biological Systems, Adedamola S. Arojojoye, Samuel G. Awuah
Chemistry Faculty Publications
Metallo-phosphines are ubiquitous in organometallic chemistry with widespread applications as catalysts in various chemical transformations, precursors for organic electronics, and chemotherapeutic agents or chemical probes. Here, we provide a comprehensive review of the exploration of the current biological applications of Au complexes bearing phosphine donor ligands. The goal is to deepen our understanding of the synthetic utility and reactivity of Au-phosphine complexes to provide insights that could lead to the design of new molecules and enhance the cross-application or repurposing of these complexes.
Investigation Of Real-Time Gaseous Thermal Decomposition Products Of Representative Per- And Polyfluoroalkyl Substances (Pfas), Kateřina Litvanová, Bethany Klemetstrud, Feng Xiao, Alena Kubatova
Investigation Of Real-Time Gaseous Thermal Decomposition Products Of Representative Per- And Polyfluoroalkyl Substances (Pfas), Kateřina Litvanová, Bethany Klemetstrud, Feng Xiao, Alena Kubatova
Chemistry Faculty Publications
The thermal decomposition of per- and poly fluoroalkyl substances (PFAS) is poorly understood. Here, we present an innovative, comprehensive analytical method to investigate their thermal decomposition, including perfluorocarboxylic acids (PFCAs), alcohol, sulfonates, and GenX (acid dimer), focusing on identifying their breakdown products. In this study, evolved gas analysis–mass spectrometry (EGA-MS) was used for fast real-time screening to determine the significant temperatures to be investigated with the thermal desorption-pyrolysis coupled with gas chromatography–mass spectrometry (TD-Py-GC-MS), which provided detailed information about evolved PFAS and their breakdown products. This approach enabled a systematic study of perfluorocarboxylic acids (PFCAs) ranging from C3 to …
Field-Ready Voltammetric Detection Of Aqueous Cadmium (Ii) Ions On Aptamer-Modified Inkjet-Printed Gold Electrode, Glenn D. Ongayo, Jiena Lynne R. Pauco, Erwin P. Enriquez
Field-Ready Voltammetric Detection Of Aqueous Cadmium (Ii) Ions On Aptamer-Modified Inkjet-Printed Gold Electrode, Glenn D. Ongayo, Jiena Lynne R. Pauco, Erwin P. Enriquez
Chemistry Faculty Publications
In this work, a simple and cost-effective integrated electrode system consisting of aptamer-modified inkjet-printed (IJP) gold working electrode and unmodified IJP gold as counter electrode (both printed on polyethylene naphthalate substrate) has been developed for low-cost detection of cadmium (II) ion in water. The technique uses a Cd2+ (Cd-4) aptamer, a single-stranded DNA with 31 nucleotides trapped on the working electrode using the self-assembly monolayer (SAM) technique. The electrochemical detection of Cd2+ is based on the change in redox peaks of [Fe(CN)6]3-/4- as a redox probe in cyclic voltammetry. The change in peak current is caused by a difference in …
Destiny Functional Theory (Dft) Study Of Water Autoionization In Solvated Clusters, Kurt Kolasinski, Alex M. Salkowski
Destiny Functional Theory (Dft) Study Of Water Autoionization In Solvated Clusters, Kurt Kolasinski, Alex M. Salkowski
Chemistry Faculty Publications
We have implemented a cluster-continuum method using density functional theory (DFT) to model water clusters and various charged species derived from water. Two aims of this study are to determine the minimal basis required for proper modeling of water autoionization and the minimum number of explicit water molecules that are required to properly model the energetics of solvation. The thermodynamics of water autoionization converge following a modified power law to deliver chemically accurate values of the Gibbs energy change for autoionization with tractably small clusters. Convergence is slower and not exponential as assumed in previous work. We identify the n …
Nanodysferlins Support Membrane Repair And Binding To Trim72/Mg53 But Do Not Localize To T-Tubules Or Stabilize Ca2+ Signaling, Joaquin Muriel, Valeriy Lukyanenko, Thomas A. Kwiatkowski, Yi Li, Sayak Bhattacharya, Kassidy K. Banford, Daniel Garman, Hannah R. Bulgart, Roger B. Sutton, Noah Weisleder, Robert J. Bloch
Nanodysferlins Support Membrane Repair And Binding To Trim72/Mg53 But Do Not Localize To T-Tubules Or Stabilize Ca2+ Signaling, Joaquin Muriel, Valeriy Lukyanenko, Thomas A. Kwiatkowski, Yi Li, Sayak Bhattacharya, Kassidy K. Banford, Daniel Garman, Hannah R. Bulgart, Roger B. Sutton, Noah Weisleder, Robert J. Bloch
Chemistry Faculty Publications
Mutations in the DYSF gene, encoding the protein dysferlin, lead to several forms of muscular dystrophy. In healthy skeletal muscle, dysferlin concentrates in the transverse tubules and is involved in repairing the sarcolemma and stabilizing Ca2+ signaling after membrane disruption. The DYSF gene encodes 7-8 C2 domains, several Fer and Dysf domains, and a C-terminal transmembrane sequence. Because its coding sequence is too large to package in adeno-associated virus, the full-length sequence is not amenable to current gene delivery methods. Thus, we have examined smaller versions of dysferlin, termed "nanodysferlins," designed to eliminate several C2 domains, specifically C2 domains D, …
The Polyglutamine Domain Is The Primary Driver Of Seeding In Huntingtin Aggregation, Adam Skeens, Chathuranga Siriwardhana, Sophia E. Massinople, Michelle M. Wunder, Zachary L. Ellis, Kaitlyn M. Keith, Tyler Girman, Shelli L. Frey, Justin Legleiter
The Polyglutamine Domain Is The Primary Driver Of Seeding In Huntingtin Aggregation, Adam Skeens, Chathuranga Siriwardhana, Sophia E. Massinople, Michelle M. Wunder, Zachary L. Ellis, Kaitlyn M. Keith, Tyler Girman, Shelli L. Frey, Justin Legleiter
Chemistry Faculty Publications
Huntington’s Disease (HD) is a fatal, neurodegenerative disease caused by aggregation of the huntingtin protein (htt) with an expanded polyglutamine (polyQ) domain into amyloid fibrils. Htt aggregation is modified by flanking sequences surrounding the polyQ domain as well as the binding of htt to lipid membranes. Upon fibrillization, htt fibrils are able to template the aggregation of monomers into fibrils in a phenomenon known as seeding, and this process appears to play a critical role in cell-to-cell spread of HD. Here, exposure of C. elegans expressing a nonpathogenic N-terminal htt fragment (15-repeat glutamine residues) to preformed htt-exon1 fibrils induced …