Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- Parkland College (53)
- University of Nebraska - Lincoln (51)
- Marquette University (35)
- Florida International University (34)
- University of Kentucky (32)
-
- Old Dominion University (23)
- Western Kentucky University (22)
- Utah State University (17)
- Chapman University (15)
- City University of New York (CUNY) (15)
- Missouri University of Science and Technology (15)
- Portland State University (15)
- Western University (15)
- Georgia State University (11)
- University of Texas Rio Grande Valley (11)
- California Polytechnic State University, San Luis Obispo (9)
- Cleveland State University (9)
- Georgia Southern University (8)
- The University of Southern Mississippi (8)
- University of Connecticut (8)
- University of Montana (7)
- University of Richmond (7)
- College of Saint Benedict and Saint John's University (6)
- Loyola University Chicago (6)
- University of Dayton (6)
- University of Denver (6)
- University of Windsor (6)
- Loyola Marymount University and Loyola Law School (5)
- University of Nebraska at Omaha (5)
- Binghamton University (4)
- Keyword
-
- Course Syllabus (45)
- Chemistry (15)
- Crystal structure (10)
- Density functional theory (8)
- Fluorescence (8)
-
- 2015 (6)
- Chemistry Student Work (6)
- Georgia Southern University (6)
- Green chemistry (6)
- Excited states (5)
- Nanoparticles (5)
- Natural products (5)
- Quantum chemistry (5)
- Undergraduate research (5)
- Ab initio calculations (4)
- Atmospheric chemistry (4)
- Cancer (4)
- Computational chemistry (4)
- Dissolved organic matter (4)
- Electrochemistry (4)
- Emissions (4)
- Ground states (4)
- Methanol (4)
- Neutron (4)
- News (4)
- Semiconductors (4)
- Surface chemistry (4)
- Synthesis (4)
- Apoptosis (3)
- BRC (3)
- Publication
-
- Chemistry Faculty Publications (75)
- Chemistry Courses (45)
- Chemistry Faculty Research and Publications (34)
- Chemistry Faculty Publications and Presentations (26)
- FIU Electronic Theses and Dissertations (23)
-
- Chemistry and Biochemistry Faculty Publications (22)
- Chemistry & Biochemistry Faculty Publications (21)
- Chemistry Publications (21)
- Chemistry Department: Faculty Publications (17)
- Department of Chemistry: Dissertations, Theses, and Student Research (16)
- Faculty Publications (15)
- Publications and Research (15)
- Chemistry Faculty Research & Creative Works (14)
- Masters Theses & Specialist Projects (13)
- Department of Chemistry and Biochemistry (10)
- Biology, Chemistry, and Environmental Sciences Faculty Articles and Research (8)
- Natural Sciences Student Research Presentations (8)
- Chemistry and Chemical Engineering Faculty Publications (7)
- Xiao Cheng Zeng Publications (7)
- Chemistry Faculty Research (6)
- Chemistry and Biochemistry Publications (6)
- Chemistry: Faculty Publications and Other Works (6)
- Department of Chemistry and Biochemistry News (2015-2023) (6)
- STAR Program Research Presentations (6)
- Chemistry and Biochemistry Faculty Works (5)
- Honors Theses (5)
- Honors Theses, 1963-2015 (5)
- Student Scholar Symposium Abstracts and Posters (5)
- Chemistry Education Materials (4)
- Chemistry Faculty Scholarship (4)
Articles 1 - 30 of 617
Full-Text Articles in Physical Sciences and Mathematics
Identification Of Arabidopsis Gpat9 (At5g60620) As An Essential Gene Involved In Triacylglycerol Biosynthesis, Jay Shockey, Anushobha Regmi, Kimberly Cotton, Neil Adhikari, John Bowse, Philip D. Bates
Identification Of Arabidopsis Gpat9 (At5g60620) As An Essential Gene Involved In Triacylglycerol Biosynthesis, Jay Shockey, Anushobha Regmi, Kimberly Cotton, Neil Adhikari, John Bowse, Philip D. Bates
Faculty Publications
The first step in the biosynthesis of nearly all plant membrane phospholipids and storage triacylglycerols is catalyzed by a glycerol-3-phosphate acyltransferase (GPAT). The requirement for an endoplasmic reticulum (ER)-localized GPAT for both of these critical metabolic pathways was recognized more than 60 years ago. However, identification of the gene(s) encoding this GPAT activity has remained elusive. Here, we present the results of a series of in vivo, in vitro, and in silico experiments in Arabidopsis (Arabidopsis thaliana) designed to assign this essential function to AtGPAT9. This gene has been highly conserved throughout evolution and is …
Kohn–Sham Exchange-Correlation Potentials From Second-Order Reduced Density Matrices, Rogelio Cuevas-Saavedra, Paul W. Ayers, Viktor N. Staroverov
Kohn–Sham Exchange-Correlation Potentials From Second-Order Reduced Density Matrices, Rogelio Cuevas-Saavedra, Paul W. Ayers, Viktor N. Staroverov
Chemistry Publications
We describe a practical algorithm for constructing the Kohn–Sham exchange-correlation potential corresponding to a given second-order reduced density matrix. Unlike conventional Kohn–Sham inversion methods in which such potentials are extracted from ground-state electron densities, the proposed technique delivers unambiguous results in finite basis sets. The approach can also be used to separate approximately the exchange and correlation potentials for a many-electron system for which the reduced density matrix is known. The algorithm is implemented for configuration-interaction wave functions and its performance is illustrated with numerical examples.
Bodipy-Based Fluorescent Probes For Sensing Protein Surface-Hydrophobicity, Nethaniah Dorh, Shilei Zhu, Kamal B. Dhungana, Ranjit Pati, Fen-Tair Luo, Haiying Liu, Ashutosh Tiwari
Bodipy-Based Fluorescent Probes For Sensing Protein Surface-Hydrophobicity, Nethaniah Dorh, Shilei Zhu, Kamal B. Dhungana, Ranjit Pati, Fen-Tair Luo, Haiying Liu, Ashutosh Tiwari
Department of Chemistry Publications
Mapping surface hydrophobic interactions in proteins is key to understanding molecular recognition, biological functions, and is central to many protein misfolding diseases. Herein, we report synthesis and application of new BODIPY-based hydrophobic sensors (HPsensors) that are stable and highly fluorescent for pH values ranging from 7.0 to 9.0. Surface hydrophobic measurements of proteins (BSA, apomyoglobin, and myoglobin) by these HPsensors display much stronger signal compared to 8-anilino-1-naphthalene sulfonic acid (ANS), a commonly used hydrophobic probe; HPsensors show a 10- to 60-fold increase in signal strength for the BSA protein with affinity in the nanomolar range. This suggests that these HPsensors …
Microsolvation Of Anions By Molecules Forming Ch∙∙X- Hydrogen Bonds, Steve Scheiner, Binod Nepal
Microsolvation Of Anions By Molecules Forming Ch∙∙X- Hydrogen Bonds, Steve Scheiner, Binod Nepal
Chemistry and Biochemistry Faculty Publications
Various anions were surrounded by n molecules of CF3H, which was used as a prototype CH donor solvent, and the structures and energies studied by M06-2X calculations with a 6-31+G∗∗ basis set. Anions considered included the halides F-, Cl-, Br- and I-, as well as those with multiple proton acceptor sites: CN-, NO3 -, HCOO-, CH3COO-, HSO4 -, H2PO4 -, and anions with higher charges SO4 2-, HPO4 2- and PO4 …
Designing Synthetic Pathways For Several 2-Thio-Substituted-3h-Phenothiazin-3-Ones In Preparation For Testing In Treatment Of Central Nervous System Disorders, Preston H. Palm, Herman H. Odens
Designing Synthetic Pathways For Several 2-Thio-Substituted-3h-Phenothiazin-3-Ones In Preparation For Testing In Treatment Of Central Nervous System Disorders, Preston H. Palm, Herman H. Odens
Senior Research Projects
This paper investigates possible synthetic pathways for two 2-thio-substituted-3H-phenothiazin-3-ones (7). A two step reaction in which 1,4-benzoquinone (1) is first reacted with an alkylthiol (2) in the presence of sodium periodate (NaIO4) and then treated with 2-aminothiophenol (5) followed by a second oxidation with sodium periodate was demonstrated to be effective in synthesizing 2-(phenylthio)-3H-phenothiazin-3-one (12). The same synthetic approach was shown to be ineffective in the synthesis of 2-(cyclopentylthio)-3H-phenothiazin-3-one (16) due to the fact that the first step was incapable of synthesizing 2-(cyclopentylthio)-1,4-benzoquinone (14). Several other synthetic routes were also proven to be ineffective. This …
Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier
Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier
Chemistry Faculty Publications
The cold boroncarbide free radical (BC X 4Σ−) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescencespectra have been obtained for the B 4Σ−–X 4Σ− and E 4Π–X 4Σ− band systems of both 11BC and 10BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then …
Direct Phenotypic Screening In Mice: Identification Of Individual, Novel Antinociceptive Compounds From A Library Of 734 821 Pyrrolidine Bis-Piperazines, Richard A. Houghten, Michelle L. Ganno, Jay P. Mclaughlin, Colette T. Dooley, Shainnel O. Eans Torrey Pines Institute For Molecular Studies, Radleigh Santos, Travis Lavoi, Adel Nefzi, Greg Welmaker, Marc A. Giulianotti, Lawrence Toll
Direct Phenotypic Screening In Mice: Identification Of Individual, Novel Antinociceptive Compounds From A Library Of 734 821 Pyrrolidine Bis-Piperazines, Richard A. Houghten, Michelle L. Ganno, Jay P. Mclaughlin, Colette T. Dooley, Shainnel O. Eans Torrey Pines Institute For Molecular Studies, Radleigh Santos, Travis Lavoi, Adel Nefzi, Greg Welmaker, Marc A. Giulianotti, Lawrence Toll
Mathematics Faculty Articles
The hypothesis in the current study is that the simultaneous direct in vivo testing of thousands to millions of systematically arranged mixture-based libraries will facilitate the identification of enhanced individual compounds. Individual compounds identified from such libraries may have increased specificity and decreased side effects early in the discovery phase. Testing began by screening ten diverse scaffolds as single mixtures (ranging from 17 340 to 4 879 681 compounds) for analgesia directly in the mouse tail withdrawal model. The “all X” mixture representing the library TPI-1954 was found to produce significant antinociception and lacked respiratory depression and hyperlocomotor effects using …
Substituent Effects On The Binding Of Halides By Neutral And Dicationic Bis-Triazolium Receptors, Binod Nepal, Steve Scheiner
Substituent Effects On The Binding Of Halides By Neutral And Dicationic Bis-Triazolium Receptors, Binod Nepal, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
The effects of substituent and overall charge upon the binding of a halide anion by a bis-triazolium receptor are studied by M06-2X DFT calculations, with the aug-cc-pVDZ basis set. Comparison is also made between a receptor that engages in H-bonds, with a halogen-bonding species. Fluoride is clearly most strongly bound, followed by Cl-, Br-, and I- in that order. The dicationic receptor engages in stronger complexes, but not by a very wide margin compared to its neutral counterpart. The binding is enhanced as the substituent on the two triazolium rings becomes progressively more electron-withdrawing. Halogen-substituted receptors, whether neutral or cationic, …
Group 6 Metal Pentacarbonyl Complexes Of Air-Stable Primary, Secondary, And Tertiary Ferrocenylethylphosphines, Amir Rabiee Kenaree, Ethan R. Sauvé, Paul J. Ragogna, Joe Gilroy
Group 6 Metal Pentacarbonyl Complexes Of Air-Stable Primary, Secondary, And Tertiary Ferrocenylethylphosphines, Amir Rabiee Kenaree, Ethan R. Sauvé, Paul J. Ragogna, Joe Gilroy
Chemistry Publications
The synthesis and characterization of a series of Group 6 metal pentacarbonyl complexes of air stable primary, secondary, and tertiary phosphines containing ferrocenylethyl substituents are reported [M(CO)5L: M = Cr, Mo, W; L = PH2(CH2CH2Fc), PH(CH2CH2Fc)2, P(CH2CH2Fc)3]. The structure and composition of the complexes were confirmed by multinuclear NMR spectroscopy, IR and UV-Vis absorption spectroscopy, mass spectrometry, X-ray crystallography, and elemental analysis. The solid-state structural data reported revealed trends in M-C and M-P bond lengths that mirrored those of the …
Method And Apparatus For Cancer Screening, Yinfa Ma, Stephen Gibbons
Method And Apparatus For Cancer Screening, Yinfa Ma, Stephen Gibbons
Chemistry Faculty Research & Creative Works
A method and apparatus for detection of pteridine levels in a biological sample using CE-LIF which is useful for early cancer screening involving fully oxidizing pteridine compounds in a sample such as a urine sample, subjecting to CE-LIF to assess compound concentration, and compare to expected levels in for healthy or cancer-bearing patients.
Uses Of Diaryliodonium Salts And Methods For Their Synthesis, Jordan M. Veness
Uses Of Diaryliodonium Salts And Methods For Their Synthesis, Jordan M. Veness
Department of Chemistry: Dissertations, Theses, and Student Research
Diaryliodonium salts have been studied continuously since the first report of their synthesis in 1894. Diaryliodonium salts are I(III) derivatives that are air- and moisturestable. The reactivity of these compounds resembles the organometallic chemistry of heavy transition metal ions such as Pb(IV), Hg(II), Th(III), and Pd(II). A significant advantage of diaryliodonium salts is that they can carry undergo many of the aryl functionalization reactions of heavy metal organometallic complexes, yet they have little to no toxicity and they are relatively inexpensive to prepare. The DiMagno laboratory uses diaryliodonium salts as precursors in the final synthetic step of radiopharmaceuticals; given that …
Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks
Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
The title compound, C19H22N2O3, {systematic name (1aR,4E,7aS,8E,10aS,10bR)-1a,5-dimethyl-8-[(pyrimidin-5-yl)methylidene]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH)-one} was obtained from the reaction of parthenolide [systematic name (1aR,7aS,10aS,10bR,E)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2′,3′:9,10]cyclodeca[1,2-b]furan-9(1aH)-one] with 5-bromopyrimidine under Heck reaction conditions, and was identified as an E isomer. The molecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened …
An Enantiodivergent Synthesis Of CΑ-Methyl Nipecotic Acid Analogues From δ-Lactam Derivatives Obtained Through A Highly Stereoselective Cyclization Strategy, Souvik Banerjee, Emily R. Vogel, Daniel Hinton, Michael Sterling, Douglas S. Masterson
An Enantiodivergent Synthesis Of CΑ-Methyl Nipecotic Acid Analogues From δ-Lactam Derivatives Obtained Through A Highly Stereoselective Cyclization Strategy, Souvik Banerjee, Emily R. Vogel, Daniel Hinton, Michael Sterling, Douglas S. Masterson
Faculty Publications
A stereoselective and enantiodivergent strategy for the construction of δ-lactams is described. The strategy utilizes chiral malonic esters prepared from enantiomerically enriched mono esters of disubstituted malonic acid. A cyclization occurs with the selective displacement of a substituted benzyl alcohol as the leaving group. The resulting δ-lactams are then converted into nipecotic acid analogues using straightforward transformations. The resulting nipecotic acid analogues proved capable organocatalysts in Mannich reactions.
Data In Support Of Ubsrd: The Ubiquitin Structural Relational Database, Joseph S. Harrison, Tim M. Jacobs, Kevin Houlihan, Koenraad Van Doorslaer, Brian Kuhlman
Data In Support Of Ubsrd: The Ubiquitin Structural Relational Database, Joseph S. Harrison, Tim M. Jacobs, Kevin Houlihan, Koenraad Van Doorslaer, Brian Kuhlman
College of the Pacific Faculty Articles
This article provides information to support the database article titled "UbSRD: The Ubiquitin Structural Relational Database" (Harrison et al., 2015) [1] . The ubiquitin-like homology fold (UBL) represents a large family that encompasses both post-translational modifications, like ubiquitin (UBQ) and SUMO, and functional domains on many biologically important proteins like Parkin, UHRF1 (ubiquitin-like with PDB and RING finger domains-1), and Usp7 (ubiquitin-specific protease-7) (Zhang et al., 2015; Rothbart et al., 2013; Burroughs et al., 2012; Wauer et al., 2015) [2], [3], [4], [5]. The UBL domain can participate in several unique protein-protein interactions (PPI) since protein adducts can be attached …
Logistic Regression Models To Predict Solvent Accessible Residues Using Sequence- And Homology-Based Qualitative And Quantitative Descriptors Applied To A Domain-Complete X-Ray Structure Learning Set, Reecha Nepal, Joanna Spencer, Guneet Bhogal, Amulya Nedunuri, Thomas Poelman, Thejas Kamath, Edwin Chung, Katherine Kantardjieff, Andrea Gottlieb, Brooke Lustig
Logistic Regression Models To Predict Solvent Accessible Residues Using Sequence- And Homology-Based Qualitative And Quantitative Descriptors Applied To A Domain-Complete X-Ray Structure Learning Set, Reecha Nepal, Joanna Spencer, Guneet Bhogal, Amulya Nedunuri, Thomas Poelman, Thejas Kamath, Edwin Chung, Katherine Kantardjieff, Andrea Gottlieb, Brooke Lustig
Faculty Publications, Chemistry
A working example of relative solvent accessibility (RSA) prediction for proteins is presented. Novel logistic regression models with various qualitative descriptors that include amino acid type and quantitative descriptors that include 20- and six-term sequence entropy have been built and validated. A domain-complete learning set of over 1300 proteins is used to fit initial models with various sequence homology descriptors as well as query residue qualitative descriptors. Homology descriptors are derived from BLASTp sequence alignments, whereas the RSA values are determined directly from the crystal structure. The logistic regression models are fitted using dichotomous responses indicating buried or accessible solvent, …
Benz[C,D]Indolium-Containing Monomethine Cyanine Dyes: Synthesis And Photophysical Properties, Eduardo Soriano, Cory Holder, Andrew R. Levitz, Maged Henary
Benz[C,D]Indolium-Containing Monomethine Cyanine Dyes: Synthesis And Photophysical Properties, Eduardo Soriano, Cory Holder, Andrew R. Levitz, Maged Henary
Chemistry Faculty Publications
Asymmetric monomethine cyanines have been extensively used as probes for nucleic acids among other biological systems. Herein we report the synthesis of seven monomethine cyanine dyes that have been successfully prepared with various heterocyclic moieties such as quinoline, benzoxazole, benzothiazole, dimethyl indole, and benz[e]indole adjoining benz[c,d]indol-1-ium, which was found to directly influence their optical and energy profiles. In this study the optical properties vs. structural changes were investigated using nuclear magnetic resonance and computational approaches. The twisted conformation unique to monomethine cyanines was exploited in DNA binding studies where the newly designed sensor displayed an increase in fluorescence when bound …
Unveiling The Crucial Intermediates In Androgen Production, Piotr J. Mak, Michael C. Gregory, Ilia G. Denisov, Stephen G. Sligar, James R. Kincaid
Unveiling The Crucial Intermediates In Androgen Production, Piotr J. Mak, Michael C. Gregory, Ilia G. Denisov, Stephen G. Sligar, James R. Kincaid
Chemistry Faculty Research and Publications
Significance: The human enzyme cytochrome P450 17A1 (CYP17A1) catalyzes the critical step in the biosynthesis of the male sex hormones, and, as such, it is a key target for the inhibition of testosterone production that is necessary for the progression of certain cancers. CYP17A1 catalyzes two distinct types of chemical transformations. The first is the hydroxylation of the steroid precursors pregnenolone and progesterone. The second is a different reaction involving carbon–carbon (C-C) bond cleavage, the mechanism of which has been actively debated in the literature. Using a combination of chemical and biophysical methods, we have been able to trap and …
A Circle Has No End: Role Of Cyclic Topology And Accompanying Structural Reorganization On The Hole Distribution In Cyclic And Linear Poly‑P‑Phenylene Molecular Wires, Marat R. Talipov, Ramesh Jasti, Rajendra Rathore
A Circle Has No End: Role Of Cyclic Topology And Accompanying Structural Reorganization On The Hole Distribution In Cyclic And Linear Poly‑P‑Phenylene Molecular Wires, Marat R. Talipov, Ramesh Jasti, Rajendra Rathore
Chemistry Faculty Research and Publications
π-Conjugated organic oligomers/polymers hold great promise as long-range charge-transfer materials for modern photovoltaic applications. However, a set of criteria for the rational design of functional materials is not yet available, in part because of a lack of understanding of charge distribution in extended π-conjugated systems of different topologies, and concomitant effects on redox and optical properties. Herein we demonstrate the role of cyclic versus linear topology in controlling the redox/optical properties and hole distribution in poly-p-phenylenes (PPs) with the aid of experiment, computation, and our recently developed multistate parabolic model (MPM). It is unequivocally shown that the hole …
Validation Of The Global Distribution Of Co2 Volume Mixing Ratio In The Mesosphere And Lower Thermosphere From Saber, L. Rezac, Y. Jian, J. Yue, J. M. Russell Iii, A. Kutepov, R. Garcia, K. Walker, P. Bernath
Validation Of The Global Distribution Of Co2 Volume Mixing Ratio In The Mesosphere And Lower Thermosphere From Saber, L. Rezac, Y. Jian, J. Yue, J. M. Russell Iii, A. Kutepov, R. Garcia, K. Walker, P. Bernath
Chemistry & Biochemistry Faculty Publications
The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument on board the Thermosphere Ionosphere Mesosphere Energetics and Dynamics satellite has been measuring the limb radiance in 10 broadband infrared channels over the altitude range from ~ 400 km to the Earth's surface since 2002. The kinetic temperatures and CO2 volume mixing ratios (VMRs) in the mesosphere and lower thermosphere have been simultaneously retrieved using SABER limb radiances at 15 and 4.3 μm under nonlocal thermodynamic equilibrium (non-LTE) conditions. This paper presents results of a validation study of the SABER CO2 VMRs obtained with a two-channel, self-consistent …
Direct Observation Of Photoinduced Charge Separation In Ruthenium Complex/Ni(Oh)2 Nanoparticle Hybrid, Yu Tang, Brian Pattengale, John Ludwig, Abderrahman Atifi, Alexander V. Zinovev, Bin Dong, Qingyu Kong, Xiaobing Zuo, Xiaoyi Zhang, Jier Huang
Direct Observation Of Photoinduced Charge Separation In Ruthenium Complex/Ni(Oh)2 Nanoparticle Hybrid, Yu Tang, Brian Pattengale, John Ludwig, Abderrahman Atifi, Alexander V. Zinovev, Bin Dong, Qingyu Kong, Xiaobing Zuo, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications
Ni(OH)2 have emerged as important functional materials for solar fuel conversion because of their potential as cost-effective bifunctional catalysts for both hydrogen and oxygen evolution reactions. However, their roles as photocatalysts in the photoinduced charge separation (CS) reactions remain unexplored. In this paper, we investigate the CS dynamics of a newly designed hybrid catalyst by integrating a Ru complex with Ni(OH)2 nanoparticles (NPs). Using time resolved X-ray absorption spectroscopy (XTA), we directly observed the formation of the reduced Ni metal site (~60 ps), unambiguously demonstrating CS process in the hybrid through ultrafast electron transfer from Ru complex to …
Modification Of Cellular Dna By Synthetic Aziridinomitosenes, Chris M. Mallory, Ryan P. Carfi, Sangphil Moon, Kenneth A. Cornell, Don L. Warner
Modification Of Cellular Dna By Synthetic Aziridinomitosenes, Chris M. Mallory, Ryan P. Carfi, Sangphil Moon, Kenneth A. Cornell, Don L. Warner
Chemistry and Biochemistry Faculty Publications and Presentations
Two synthetic aziridinomitosenes (AZMs), Me-AZM and H-AZM, structurally related to mitomycin C (MC) were evaluated for their anticancer activity against six cancer cell lines (HeLa, Jurkat, T47D, HepG2, HL-60, and HuT-78) and tested for their DNA-modifying abilities in Jurkat cells. Cytotoxicity assays showed that Me-AZM is up to 72-fold and 520-fold more potent than MC and H-AZM, respectively. Me-AZM also demonstrated increased DNA modification over MC and H-AZM in alkaline COMET and Hoechst fluorescence assays that measured crosslinks in cellular DNA. Me-AZM and H-AZM treatment of Jurkat cells was found to sponsor significant DNA-protein crosslinks using …
Supporting Data For The Characterization Of Pna-Dna Four-Way Junctions, Douglas Van Iverson Ii, Crystal C. Serrano, Ann Marie Brahan, Arik Shams, Filbert Totsingan, Anthony J. Bell Jr.
Supporting Data For The Characterization Of Pna-Dna Four-Way Junctions, Douglas Van Iverson Ii, Crystal C. Serrano, Ann Marie Brahan, Arik Shams, Filbert Totsingan, Anthony J. Bell Jr.
Faculty Publications
Holliday or DNA four-way junctions (4WJs) are cruciform/bent structures composed of four DNA duplexes. 4WJs are key intermediates in homologous genetic recombination and double-strand break repair. To investigate 4WJs in vitro, junctions are assembled using four asymmetric DNA strands. The presence of four asymmetric strands about the junction branch point eliminates branch migration, and effectively immobilizes the resulting 4WJ. The purpose of these experiments is to show that immobile 4WJs composed of DNA and peptide nucleic acids (PNAs) can be distinguished from contaminating labile nucleic acid structures. These data compare the electrophoretic mobility of hybrid PNA–DNA junctions vs. …
Hybrid Sol–Gel Glasses With Glass-Transition Temperatures Below Room Temperature, Andrei Jitianu, Guadalupe Gonzalez, Lisa C. Klein
Hybrid Sol–Gel Glasses With Glass-Transition Temperatures Below Room Temperature, Andrei Jitianu, Guadalupe Gonzalez, Lisa C. Klein
Publications and Research
Melting gels are hybrid gels that have the ability to soften and flow at around 100 ° C for some combinations of mono- and di-substituted alkoxysiloxanes, where substitutions are either all aromatic or all aliphatic. In this study, melting gels were prepared using phenyltriethoxysilane (PhTES) and dimethyldiethoxysilane (DMDES), meaning both an aromatic and aliphatic substitution. Differential scanning calorimetry was performed to identify glass-transition temperatures, and thermal gravimetric analysis coupled with differential thermal analysis (TGA-DTA) was performed to measure weight loss. The glass-transition temperatures ( T g ) ranged from – 61 ° C to + 5.6 ° C, which are …
Toward The Probing Of Dhqs Activity By Protein Engineering Through The Introduction Of Unnatural Amino Acids And The Selection Of Trna/Trna Synthetase Pairs, Shaina E. Ives
Department of Chemistry: Dissertations, Theses, and Student Research
Protein engineering is a valuable tool that allows scientist to explore how an enzyme works by mutation of key residues. This method has been used to improve function or stability of enzymes, thus allowing their use in both the lab and in industry to be expanded. Genetic incorporation of unnatural amino acids (unAA) can be used with protein engineering to exceed the current limitations, due to the limited number of functional groups of the 20 common amino acids.
The majority of this thesis will discuss the progress on incorporating the various unAA into the active site of the enzyme, Dehydroquinate …
Side-Chain Boron Difluoride Formazanate Polymers Via Ring-Opening Metathesis Polymerization, Samantha Novoa, Joseph A. Paquette, Stephanie M. Barbon, Ryan R. Maar, Joe Gilroy
Side-Chain Boron Difluoride Formazanate Polymers Via Ring-Opening Metathesis Polymerization, Samantha Novoa, Joseph A. Paquette, Stephanie M. Barbon, Ryan R. Maar, Joe Gilroy
Chemistry Publications
The synthesis, characterization, and ring-opening methathesis polymerization (ROMP) of a novel norbornene-based boron difluoride (BF2) formazante monomer are described in detail. The polymerization studies confirmed ROMP to occur in the presence of BF2 formazanates, and also demonstrated the controlled nature of the polymerization. The polymers retained many of the unique characteristics of the monomers in dichloromethane, including absorption and emission at maximum wavelengths of 518 and 645 nm, large Stoke's shifts (uST = 127 nm, 3,800 cm-1), and the ability to act as electron reservoirs to form borataverdazyl-based poly(radical anions) (E°red1 …
A Mechanism Of Glucose Tolerance And Stimulation Of Gh1 Β-Glucosidases, Yang Yang, Xinxin Zhang, Qiang Yin, Wei Fang, Zemin Fang, Xiaotang Wang, Xuecheng Zhang, Yazhong Xiao
A Mechanism Of Glucose Tolerance And Stimulation Of Gh1 Β-Glucosidases, Yang Yang, Xinxin Zhang, Qiang Yin, Wei Fang, Zemin Fang, Xiaotang Wang, Xuecheng Zhang, Yazhong Xiao
Department of Chemistry and Biochemistry
β-Glucosidases are enzymes that hydrolyze β-glycosidic bonds to release non-reducing terminal glucosyl residues from glycosides and oligosaccharides, and thus have significant application potential in industries. However, most β-glucosidases are feedback inhibited by the glucose product, which restricts their application. Remarkably, some β-glucosidases of the glycoside hydrolase (GH) 1 family are tolerant to or even stimulated by glucose. Elucidation of the mechanisms of glucose tolerance and stimulation of the GH1 β-glucosidases will be crucial to improve their application through enzyme engineering. In this study, by comparing the primary and tertiary structures of two GH1 β-glucosidases with distinct glucose dependence, some putative …
Structure Of The Human Factor Viii C2 Domain In Complex With The 3e6 Inhibitory Antibody., P. Clint Spiegel, Michelle E. Wuerth, Rebecca K. Cragerud
Structure Of The Human Factor Viii C2 Domain In Complex With The 3e6 Inhibitory Antibody., P. Clint Spiegel, Michelle E. Wuerth, Rebecca K. Cragerud
Chemistry Faculty and Staff Publications
Blood coagulation factor VIII is a glycoprotein cofactor that is essential for the intrinsic pathway of the blood coagulation cascade. Inhibitory antibodies arise either spontaneously or in response to therapeutic infusion of functional factor VIII into hemophilia A patients, many of which are specific to the factor VIII C2 domain. The immune response is largely parsed into “classical” and “non-classical” inhibitory antibodies, which bind to opposing faces cooperatively. In this study, the 2.61Å resolution structure of the C2 domain in complex with the antigen-binding fragment of the 3E6 classical inhibitory antibody is reported. The binding interface is largely conserved when …
Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian
Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian
Chemistry Faculty Publications
Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2V−1s−1, low threshold …
Applications Of High Performance Affinity Chromatography With High Capacity Stationary Phases Made By Entrapment, John A. Vargas Badilla
Applications Of High Performance Affinity Chromatography With High Capacity Stationary Phases Made By Entrapment, John A. Vargas Badilla
Department of Chemistry: Dissertations, Theses, and Student Research
High performance affinity chromatography (HPAC) is a technique that uses a biologically-related agent such as a transport protein or an antibody as the stationary phase in an HPLC system. In recent years, HPAC has been shown to be a valuable bioanalytical tool for studying solute-protein interactions. Human serum albumin (HSA), the most abundant protein in blood (with concentrations of 35 to 50 mg/mL in serum), has been shown to interact with many drugs, affecting their transport, excretion and metabolism. A physical method for immobilizing proteins in HPAC supports has been optimized in this dissertation by using HSA as a model …
Erratum To: Zn (Ii) And Cu (Ii) Adsorption And Retention Onto Iron Oxyhydroxide Nanoparticles: Effects Of Particle Aggregation And Salinity, Rebecca B. Chesne, Christopher S. Kim
Erratum To: Zn (Ii) And Cu (Ii) Adsorption And Retention Onto Iron Oxyhydroxide Nanoparticles: Effects Of Particle Aggregation And Salinity, Rebecca B. Chesne, Christopher S. Kim
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
In the original version of this article errors in Figs. 5 and 9 were identified by the authors. The corrected figures are given.