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Articles 421 - 450 of 1129
Full-Text Articles in Chemistry
Collectivity Of 0+ States In 160Gd, S. R. Lesher, C. Casarella, A. Aprahamian, B. P. Crider, R. Ikeyama, I. R. Marsh, Marcus T. Mcellistrem, Erin E. Peters, F. M. Prados-Estévez, M. K. Smith, Z. R. Tully, J. R. Vanhoy, Steven W. Yates
Collectivity Of 0+ States In 160Gd, S. R. Lesher, C. Casarella, A. Aprahamian, B. P. Crider, R. Ikeyama, I. R. Marsh, Marcus T. Mcellistrem, Erin E. Peters, F. M. Prados-Estévez, M. K. Smith, Z. R. Tully, J. R. Vanhoy, Steven W. Yates
Chemistry Faculty Publications
Excited 0+ states in 160Gd have been examined with the (n,n′γ) reaction at incident neutron energies up to 2.8 MeV. Gamma-ray excitation functions and angular distribution measurements allow the confirmation of the existence of 0+ states at 1379.70 keV and 1558.30 keV, but we reject the assignments of additional previously suggested 0+ candidates. Limits on the level lifetimes of the observed 0+ states permit an evaluation of the collectivity of these states.
Bh2 Revisited: New, Extensive Measurements Of Laser-Induced Fluorescence Transitions And Ab Initio Calculations Of Near-Spectroscopic Accuracy, Fumie X. Sunahori, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni
Bh2 Revisited: New, Extensive Measurements Of Laser-Induced Fluorescence Transitions And Ab Initio Calculations Of Near-Spectroscopic Accuracy, Fumie X. Sunahori, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni
Chemistry Faculty Publications
The spectroscopy of gas phase BH2 has not been explored experimentally since the pioneering study of Herzberg and Johns in 1967. In the present work, laser-induced fluorescence (LIF) spectra of the Ã2B1(Πu)-X̃2A1 band system of 11BH2, 10BH2, 11BD2, and 10BD2 have been observed for the first time. The free radicals were "synthesized" by an electric discharge through a precursor mixture of 0.5% diborane (B2H6 or B2D6) in high pressure argon at the exit of …
A Maltose-Binding Protein Fusion Construct Yields A Robust Crystallography Platform For Mcl1, Matthew C. Clifton, David M. Dranow, Alison Leed, Ben Fulroth, James W. Fairman, Jan Abendroth, Kateri A. Atkins, Ellen Wallace, Dazhong Fan, Guoping Xu, Z. J. Ni, Douglas S. Daniels, John Van Drie, Guo Wei, Alex B. Burgin, Todd R. Golub, Brian K. Hubbard, Michael H. Serrano-Wu
A Maltose-Binding Protein Fusion Construct Yields A Robust Crystallography Platform For Mcl1, Matthew C. Clifton, David M. Dranow, Alison Leed, Ben Fulroth, James W. Fairman, Jan Abendroth, Kateri A. Atkins, Ellen Wallace, Dazhong Fan, Guoping Xu, Z. J. Ni, Douglas S. Daniels, John Van Drie, Guo Wei, Alex B. Burgin, Todd R. Golub, Brian K. Hubbard, Michael H. Serrano-Wu
Chemistry Faculty Publications
Crystallization of a maltose-binding protein MCL1 fusion has yielded a robust crystallography platform that generated the first apo MCL1 crystal structure, as well as five ligand-bound structures. The ability to obtain fragment-bound structures advances structure-based drug design efforts that, despite considerable effort, had previously been intractable by crystallography. In the ligand-independent crystal form we identify inhibitor binding modes not observed in earlier crystallographic systems. This MBP-MCL1 construct dramatically improves the structural understanding of well-validated MCL1 ligands, and will likely catalyze the structure-based optimization of high affinity MCL1 inhibitors.
Crystal Structure Of 9-Methacryloylanthracene, Aditya Agrahari, Patrick O. Wagers, Steven M. Schildcrout, John Masnovi, Wiley J. Youngs
Crystal Structure Of 9-Methacryloylanthracene, Aditya Agrahari, Patrick O. Wagers, Steven M. Schildcrout, John Masnovi, Wiley J. Youngs
Chemistry Faculty Publications
In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) angstrom out of the anthrylring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)degrees and the stereochemistry about the Csp(2) - Csp(2) bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel-planar orientations [shortest centroid-centroid distance = 3.6320 (7) angstrom]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis …
Ground-State And Pairing-Vibrational Bands With Equal Quadrupole Collectivity In 124Xe, A. J. Radich, P. E. Garrett, J. M. Allmond, C. Andreoiu, G. C. Ball, L. Bianco, V. Bildstein, S. Chagnon-Lessard, D. S. Cross, G. A. Demand, A. Diaz Varela, R. Dunlop, P. Finlay, A. B. Garnsworthy, G. Hackman, B. Hadinia, B. Jigmeddorj, A. T. Laffoley, K. G. Leach, J. Michetti-Wilson, J. N. Orce, M. M. Rajabali, E. T. Rand, K. Starosta, C. S. Sumithrarachchi, C. E. Svensson, S. Triambak, Z. M. Wang, J. L. Wood, J. Wong, S. J. Williams, Steven W. Yates
Ground-State And Pairing-Vibrational Bands With Equal Quadrupole Collectivity In 124Xe, A. J. Radich, P. E. Garrett, J. M. Allmond, C. Andreoiu, G. C. Ball, L. Bianco, V. Bildstein, S. Chagnon-Lessard, D. S. Cross, G. A. Demand, A. Diaz Varela, R. Dunlop, P. Finlay, A. B. Garnsworthy, G. Hackman, B. Hadinia, B. Jigmeddorj, A. T. Laffoley, K. G. Leach, J. Michetti-Wilson, J. N. Orce, M. M. Rajabali, E. T. Rand, K. Starosta, C. S. Sumithrarachchi, C. E. Svensson, S. Triambak, Z. M. Wang, J. L. Wood, J. Wong, S. J. Williams, Steven W. Yates
Chemistry Faculty Publications
The nuclear structure of 124Xe has been investigated via measurements of the β+/EC decay of 124Cs with the 8πγ-ray spectrometer at the TRIUMF-ISAC facility. . . .
For the remainder of this abstract, please visit: http://dx.doi.org/10.1103/PhysRevC.91.044320
Applied Quantum Chemistry: Spectroscopic Detection And Characterization Of The F2Bs And Cl2Bs Free Radicals In The Gas Phase, Bing Jin, Phillip M. Sheridan, Dennis J. Clouthier
Applied Quantum Chemistry: Spectroscopic Detection And Characterization Of The F2Bs And Cl2Bs Free Radicals In The Gas Phase, Bing Jin, Phillip M. Sheridan, Dennis J. Clouthier
Chemistry Faculty Publications
In this and previous work [D. J. Clouthier, J. Chem. Phys. 141, 244309 (2014)], the spectroscopic signatures of the X2BY (X = H, halogen, Y = O, S) free radicals have been predicted using high level ab initio theory. The theoretical results have been used to calculate the electronic absorption and single vibronic level (SVL) emission spectra of the radicals under typical jet-cooled conditions. Using these diagnostic predictions, the previously unknown F2BS and Cl2BS free radicals have been identified and characterized. The radicals were prepared in a free jet expansion by subjecting precursor …
Capillary Effects In Guided Crystallization Of Organic Thin Films, Alta Fang, Anna K. Hailey, Abigail Grosskopf, John E. Anthony, Yueh-Lin Loo, Mikko Haataja
Capillary Effects In Guided Crystallization Of Organic Thin Films, Alta Fang, Anna K. Hailey, Abigail Grosskopf, John E. Anthony, Yueh-Lin Loo, Mikko Haataja
Chemistry Faculty Publications
Recently, it has been demonstrated that solvent-vapor-induced crystallization of triethylsilylethynyl anthradithiophene (TES ADT) thin films can be directed on millimeter length scales along arbitrary paths by controlling local crystal growth rates via pre-patterning the substrate. Here, we study the influence of capillary effects on crystallization along such channels. We first derive an analytical expression for the steady-state growth front velocity as a function of channel width and validate it with numerical simulations. Then, using data from TES ADT guided crystallization experiments, we extract a characteristic channel width, which provides the smallest feature size that can be obtained by this technique.
Structure-Function Relationships Affecting The Sensing Mechanism Of Monolayer-Protected Cluster Doped Xerogel Amperometric Glucose Biosensors, Luke T. Dipasquale, Nicholas G. Poulos, Jackson R. Hall, Aastha Minocha, Tram Anh Bui, Michael C. Leopold
Structure-Function Relationships Affecting The Sensing Mechanism Of Monolayer-Protected Cluster Doped Xerogel Amperometric Glucose Biosensors, Luke T. Dipasquale, Nicholas G. Poulos, Jackson R. Hall, Aastha Minocha, Tram Anh Bui, Michael C. Leopold
Chemistry Faculty Publications
A systematic study of the structure–function relationships critical to understanding the sensing mechanism of 1st generation amperometric glucose biosensors with an embedded nanoparticle (NP) network is presented. Xerogel-based films featuring embedded glucose oxidase enzyme and doped with alkanethiolate-protected gold NPs, known as monolayer protected clusters (MPCs), exhibit significantly enhanced performance compared to analogous systems without NPs including higher sensitivity, faster response time, and extended linear/dynamic ranges. The proposed mechanism involves diffusion of the glucose to glucose oxidase within the xerogel, enzymatic reaction production of H2O2 with subsequent diffusion to the embedded network of MPCs where it is oxidized, an event …
Photophysics Of Organic Semiconductors: From Ensemble To The Single-Molecule Level, Rebecca Grollman, Whitney E. B. Shepherd, Alexander Robertson, Keshab R. Paudel, John E. Anthony, Oksana Ostroverkhova
Photophysics Of Organic Semiconductors: From Ensemble To The Single-Molecule Level, Rebecca Grollman, Whitney E. B. Shepherd, Alexander Robertson, Keshab R. Paudel, John E. Anthony, Oksana Ostroverkhova
Chemistry Faculty Publications
We present photophysical properties of functionalized anthradithiophene (ADT) and pentacene (Pn) derivatives, as well as charge and energy transfer properties of donor-acceptor (D/A) pairs of these derivatives. All molecules studied were fluorescent and photostable enough to be imaged on the single-molecule level in a variety of polymeric and in a functionalized benzothiophene (BTBTB) crystalline host using room-temperature wide- field epifluorescence microscopy. Flexibility of functionalization of both guest (ADT, Pn) and host (BTBTB or polymer) molecules can be used for systematic studies of nanoscale morphology and photophysics of D/A organic semiconductor bulk heterojunctions, as well as in applications relying on FRET, …
Quantitative Analysis Of Heavy Metals In Children’S Toys And Jewelry: A Multi-Instrument, Multi-Technique Exercise In Analytical Chemistry And Public Health, Lauren E. Finch, Margot M. Hillyer, Michael C. Leopold
Quantitative Analysis Of Heavy Metals In Children’S Toys And Jewelry: A Multi-Instrument, Multi-Technique Exercise In Analytical Chemistry And Public Health, Lauren E. Finch, Margot M. Hillyer, Michael C. Leopold
Chemistry Faculty Publications
For most chemistry curricula, laboratory-based activities in quantitative and instrumental analysis continue to be an important aspect of student development/training, one that can be more effective if conceptual understanding is delivered through an inquiry-based process relating the material to relevant issues of public interest and student career trajectories. Laboratory experiences that actively engage students in this manner can be difficult to identify and execute. A special topics, project-based laboratory module is presented here that utilizes multiple techniques and instruments to investigate toxic metal content (lead, cadmium, and arsenic) in children’s toys and toy jewelry. The module effectively illustrates a considerable …
A Novel Chemosynthetic Peptide With Β-Sheet Motif Efficiently Kills Klebsiella Pnuemoniae In A Mouse Model, Shirui Tan, Changpei Gan, Rongpeng Li, Yan Ye, Shuang Zhang, Xu Wu, Yi Yan Yang, Weimin Fan, Min Wu
A Novel Chemosynthetic Peptide With Β-Sheet Motif Efficiently Kills Klebsiella Pnuemoniae In A Mouse Model, Shirui Tan, Changpei Gan, Rongpeng Li, Yan Ye, Shuang Zhang, Xu Wu, Yi Yan Yang, Weimin Fan, Min Wu
Chemistry Faculty Publications
Klebsiella pneumoniae (Kp) is one of the most common pathogens in nosocomial infections and is increasingly becoming multiple drug resistant. However, the molecular pathogenesis of Kp in causing tissue injury and dysregulated host defense remains elusive, further dampening the development of novel therapeutic measures. We have previously screened a series of synthetic antimicrobial beta-sheet forming peptides and identified a peptide (IRIKIRIK; ie, IK8L) with a broad range of bactericidal activity and low cytotoxicity in vitro. Here, employing an animal model, we investigated the antibacterial effects of IK8L in acute infection and demonstrated that peritoneal injection of IK8L to mice down-regulated …
The Stoichiometry Of Metal Assisted Etching (Mae) Of Si In V2o5 + Hf And Hooh + Hf Solutions, Kurt W. Kolasinski, William B. Barclay, Yu Sun, Mark Aindow
The Stoichiometry Of Metal Assisted Etching (Mae) Of Si In V2o5 + Hf And Hooh + Hf Solutions, Kurt W. Kolasinski, William B. Barclay, Yu Sun, Mark Aindow
Chemistry Faculty Publications
No abstract provided.
Repressive Mutations Restore Function-Loss Caused By The Disruption Of Trimerization In Escherichia Coli Multidrug Transporter Acrb, Zhaoshuai Wang, Meng Zhong, Wei Lu, Qian Chai, Yinan Wei
Repressive Mutations Restore Function-Loss Caused By The Disruption Of Trimerization In Escherichia Coli Multidrug Transporter Acrb, Zhaoshuai Wang, Meng Zhong, Wei Lu, Qian Chai, Yinan Wei
Chemistry Faculty Publications
AcrAB-TolC and their homologs are major multidrug efflux systems in Gram-negative bacteria. The inner membrane component AcrB functions as a trimer. Replacement of Pro223 by Gly in AcrB decreases the trimer stability and drastically reduces the drug efflux activity. The goal of this study is to identify suppressor mutations that restore function to mutant AcrBP223G and explore the mechanism of function recovery. Two methods were used to introduce random mutations into the plasmid of AcrBP223G. Mutants with elevated drug efflux activity were identified, purified, and characterized to examine their expression level, trimer stability, interaction with AcrA, and …
Design Of Organic Ternary Blends And Small-Molecule Bulk Heterojunctions: Photophysical Considerations, Kallarakkal Ramakrishnan Rajesh, Keshab Paudel, Brian Johnson, Rawad Hallani, John E. Anthony, Oksana Ostroverkhova
Design Of Organic Ternary Blends And Small-Molecule Bulk Heterojunctions: Photophysical Considerations, Kallarakkal Ramakrishnan Rajesh, Keshab Paudel, Brian Johnson, Rawad Hallani, John E. Anthony, Oksana Ostroverkhova
Chemistry Faculty Publications
We explored relationships between photophysical processes and solar cell characteristics in solution-processable bulk heterojunctions (BHJs), in particular: (1) polymer donor:fullerene acceptor:small-molecule (SM) nonfullerene acceptor, (2) polymer donor:SM donor:SM nonfullerene acceptor, and (3) SM donor:SM nonfullerene or fullerene acceptor. Addition of a nonfullerene SM acceptor to “efficient” polymer:fullerene BHJs led to a reduction in power conversion efficiency (PCE), mostly due to decreased charge photogeneration efficiency and increased disorder. By contrast, addition of an SM donor to “inefficient” polymer:SM nonfullerene acceptor BHJs led to a factor of two to three improvement in the PCE, due to improved charge photogeneration efficiency and transport. …
Functional Layer-By-Layer Design Of Xerogel-Based 1st Generation Amperometric Glucose Biosensors, Nicholas G. Poulos, Jackson R. Hall, Michael C. Leopold
Functional Layer-By-Layer Design Of Xerogel-Based 1st Generation Amperometric Glucose Biosensors, Nicholas G. Poulos, Jackson R. Hall, Michael C. Leopold
Chemistry Faculty Publications
Xerogel-based first-generation amperometric glucose biosensors, constructed through specific layer-by-layer assembly of films featuring glucose oxidase doped xerogel, a diffusion-limiting xerogel layer, and capped with both electropolymerized polyphenol and blended polyurethane semipermeable membranes, are presented. The specific combination of xerogels formed from specific silane precursors, including propyl-trimethoxysilane, isobutyl-trimethoxysilane, octyl-trimethoxysilane, and hydroxymethyl-triethoxysilane, exhibit impressive dynamic and linear ranges of detection (e.g., ≥24–28 mM glucose) and low response times, as well as significant discrimination against common interferent species such as acetaminophen, ascorbic acid, sodium nitrite, oxalic acid, and uric acid as determined by selectivity coefficients. Additionally, systematic electrochemical and contact angle studies of …
An Experimental And Theoretical Study Of The Electronic Spectrum Of The Hbcl Free Radical, Mohammed A. Gharaibeh, Ramya Nagarajan, Dennis J. Clouthier, Riccardo Tarroni
An Experimental And Theoretical Study Of The Electronic Spectrum Of The Hbcl Free Radical, Mohammed A. Gharaibeh, Ramya Nagarajan, Dennis J. Clouthier, Riccardo Tarroni
Chemistry Faculty Publications
Following our previous discovery of the spectra of the HBX (X = F, Cl, and Br) free radicals [S.-G. He, F. X. Sunahori, and D. J. Clouthier, J. Am. Chem. Soc. 127, 10814 (2005)], the Ã2A″Π-X̃2A' band systems of the HBCl and DBCl free radicals have been studied in detail. The radicals have been prepared in a pulsed electric discharge jet using a precursor mixture of BCl3 and H2 or D2 in high pressure argon. Laser-induced fluorescence (LIF) and single vibronic level emission spectra have been recorded to map out the ground …
The Contribution Of Methionine To The Stability Of The Escherichia Coli Metniq Abc Transporter-Substrate Binding Protein Complex, P. Nguyen, N. Kadaba, J. Y. Lai, Janet G. Yang, D. C. Rees
The Contribution Of Methionine To The Stability Of The Escherichia Coli Metniq Abc Transporter-Substrate Binding Protein Complex, P. Nguyen, N. Kadaba, J. Y. Lai, Janet G. Yang, D. C. Rees
Chemistry Faculty Publications
Despite the ubiquitous role of ATP-binding cassette (ABC) importers in nutrient uptake, only the Escherichia coli maltose and vitamin B12 ABC transporters have been structurally characterized in multiple conformations relevant to the alternating access transport mechanism. To complement our previous structure determination of the E. coli MetNI methionine importer in the inward facing conformation (Kadaba et al. (2008) Science 321, 250–253), we have explored conditions stabilizing the outward facing conformation. Using two variants, the Walker B E166Q mutation with ATP+EDTA to stabilize MetNI in the ATP-bound conformation and the N229A variant of the binding protein MetQ, shown in …
The Allosteric Regulatory Mechanism Of The Escherichia Coli Metni Methionine Atp Binding Cassette (Abc) Transporter, Janet G. Yang, D. C. Rees
The Allosteric Regulatory Mechanism Of The Escherichia Coli Metni Methionine Atp Binding Cassette (Abc) Transporter, Janet G. Yang, D. C. Rees
Chemistry Faculty Publications
The MetNI methionine importer of Escherichia coli, an ATP binding cassette (ABC) transporter, uses the energy of ATP binding and hydrolysis to catalyze the high affinity uptake of d- and l-methionine. Early in vivo studies showed that the uptake of external methionine is repressed by the level of the internal methionine pool, a phenomenon termed transinhibition. Our understanding of the MetNI mechanism has thus far been limited to a series of crystal structures in an inward-facing conformation. To understand the molecular mechanism of transinhibition, we studied the kinetics of ATP hydrolysis using detergent-solubilized MetNI. We find that transinhibition is …
Block Design-Based Asynchronous Neighbor Discovery Protocol For Wireless Sensor Networks, Sangil Choi, Wooksik Lee, Teukseob Song, Jong-Hoon Youn
Block Design-Based Asynchronous Neighbor Discovery Protocol For Wireless Sensor Networks, Sangil Choi, Wooksik Lee, Teukseob Song, Jong-Hoon Youn
Chemistry Faculty Publications
Neighbor discovery is a significant research topic in wireless sensor networks. After wireless sensor devices are deployed in specific areas, they attempt to determine neighbors within their communication range. This paper proposes a new Block design-based Asynchronous Neighbor Discovery protocol for sensor networks called BAND. We borrow the concept of combinatorial block designs for neighbor discovery. First, we summarize a practical challenge and difficulty of using the original block designs. To address this challenge, we create a new block generation technique for neighbor discovery schedules and provide a mathematical proof of the proposed concept. A key aspect of the proposed …
A Simple And Rapid Lc-Ms/Ms Method For The Determination Of Bmcl26 A Novel Anti-Parasitic Agent In Rat Plasma, Ramakrishna R. Voggu, Xiang Zhou, Bing Su, Baochuan Guo
A Simple And Rapid Lc-Ms/Ms Method For The Determination Of Bmcl26 A Novel Anti-Parasitic Agent In Rat Plasma, Ramakrishna R. Voggu, Xiang Zhou, Bing Su, Baochuan Guo
Chemistry Faculty Publications
BMCL26 is a potential drug derived from nimesulide, which has exhibited the substantial anti-parasitic activity in various cell lines. To conduct various pharmacological and toxicological properties of this drug, we developed and validated a rapid LC-MS/MS method for its quantification in accordance with the FDA guidelines. Protein precipitation with 0.1% formic acid in acetonitrile was used to extract the analytes along with the internal standard (JCC76) from rat plasma. It was found that the calibration curve of the method had an excellent linearity (r2 ≥ 0.9993) for the analyte concentration ranging from 0.5 to 100 ng/mL with acceptable inter- and …
Specific N-Glycans Of Hepatocellular Carcinoma Cell Surface And The Abnormal Increase Of Core-Α-1, 6-Fucosylated Triantennary Glycan Via N-Acetylglucosaminyltransferases-Iva Regulation, Huan Nie, Xia Liu, Yubao Zhang, Tingting Li, Chao Zhan, Wenjuan Huo, Anshun He, Yuanfei Yao, Yu Jin, Youpeng Qu, Xue-Long Sun, Yu Li
Specific N-Glycans Of Hepatocellular Carcinoma Cell Surface And The Abnormal Increase Of Core-Α-1, 6-Fucosylated Triantennary Glycan Via N-Acetylglucosaminyltransferases-Iva Regulation, Huan Nie, Xia Liu, Yubao Zhang, Tingting Li, Chao Zhan, Wenjuan Huo, Anshun He, Yuanfei Yao, Yu Jin, Youpeng Qu, Xue-Long Sun, Yu Li
Chemistry Faculty Publications
Glycosylation alterations of cell surface proteins are often observed during the progression of malignancies. The specific cell surface N-glycans were profiled in hepatocellular carcinoma (HCC) with clinical tissues (88 tumor and adjacent normal tissues) and the corresponding serum samples of HCC patients. The level of core-α-1,6-fucosylated triantennary glycan (NA3Fb) increased both on the cell surface and in the serum samples of HCC patients (p < 0.01). Additionally, the change of NA3Fb was not influenced by Hepatitis B virus (HBV)and cirrhosis. Furthermore, the mRNA and protein expression of N-acetylglucosaminyltransferase IVa (GnT-IVa), which was related to the synthesis of the NA3Fb, was substantially increased in HCC tissues. Knockdown of GnT-IVa leads to a decreased level of NA3Fb and decreased ability of invasion and migration in HCC cells. NA3Fb can be regarded as a specific cell surface N-glycan of HCC. The high expression of GnT-IVa is the cause of the abnormal increase of NA3Fb on the HCC cell surface, which regulates cell migration. This study demonstrated the specific N-glycans of the cell surface and the mechanisms of altered glycoform related with HCC. These findings lead to better understanding of the function of glycan and glycosyltransferase in the tumorigenesis, progression and metastasis of HCC.
Traits And Roles Of Jonas Kamlet, Pioneering Chemistry Consultant, As A Guide To Contemporary Inventors, Dean F. Martin, Autumn S. Thompson
Traits And Roles Of Jonas Kamlet, Pioneering Chemistry Consultant, As A Guide To Contemporary Inventors, Dean F. Martin, Autumn S. Thompson
Chemistry Faculty Publications
As state universities feel economic pinches of reduced support from state legislatures, and as sources of federal funding for supported research projects face additional challenges, other sources of support need to be found. Two sources under consideration are royalties and licensing fees for successful patents. A good example of a successful developer of patents was Jonas Kamlet, Ph.D. (1914‐1960), who was an early consultant in chemical and other matters and was the successful co-owner, with his wife Edna, of the Kamlet Laboratories. The roles that he played in his career can, we believe, provide good examples for contemporary researchers in …
The Green Chemistry And Filipino Approach To High School Experiments In Saint Paul College Pasig, Ronald G. Santos, Armando M. Guidote Jr
The Green Chemistry And Filipino Approach To High School Experiments In Saint Paul College Pasig, Ronald G. Santos, Armando M. Guidote Jr
Chemistry Faculty Publications
This paper is a call for teachers to initiate measures in improving the quality of high school chemistry education in the Philippines and that is by going back to practical laboratory work. The experiment presented in this paper is a proof to the possibility of tailor-made experiments that integrate principles of green chemistry. Integrating green chemistry concepts in the design of high school chemistry experiments makes students aware of the responsibility that goes with the use and production of chemicals. Moreover, the experiment was designed to consciously integrate aspects of Filipino culture, values, and traditions. Such enculturation of chemistry by …
Porous Layers Composed Of Oxide Crystallites Formed By The Combination Of Laser Ablation And Anodization Of Metal, Abbie S. Ganas, Dmitry A. Znamensky, Nahúm Méndez Alba, José Luis Hernández-Pozos, Kurt W. Kolasinski
Porous Layers Composed Of Oxide Crystallites Formed By The Combination Of Laser Ablation And Anodization Of Metal, Abbie S. Ganas, Dmitry A. Znamensky, Nahúm Méndez Alba, José Luis Hernández-Pozos, Kurt W. Kolasinski
Chemistry Faculty Publications
No abstract provided.
Design Of Cox-1 Inhibitors Utilizing Class I Isosteres, Class Ii Isosteres, And Nonclassical Bioisosteres For Substituent Substitution On Proved Parent Structures, Ronald Bartzatt
Chemistry Faculty Publications
Aims: To identify isosteres and bioisosteres suitable for substitution on the molecular scaffold of meclofenamic acid and tolfenamic acid. The compounds will be studied to determine drug-likeness and other properties.
Study Design: Isosteres and bioisosteres were selected and emplaced on the scaffold of meclofenamic acid and tolfenamic acid to ascertain drug-likeness outcome. Drug candidates were selected based on favorable drug-likeness.
Place and Duration of Study: Chemistry Department, University of Nebraska at Omaha, Omaha Nebraska from March 2015 to May 2015.
Methodology: Two non-steroidal anti-inflammatory drugs, meclofenamic acid and tolfenamic acid, are selected based on versatile isosteres and bioisosteres substitution. Placement …
Potential Antineoplastic Structural Variations Of Uracil Mustard (Uramustine) Retaining Cytotoxic Activity And Drug-Likeness Suitable For Oral Administration, Ronald Bartzatt
Chemistry Faculty Publications
Aims: To present 12 new variants of uracil mustard having drug-like properties and cytotoxic functional group, by utilizing uracil mustard (uramustine) as a lead compound. Utilize rigorous substructure and similarity of a molecular scaffold to determine drug like variants. Physicochemical properties determined indicate the variants have favorable drug-likeness.
Study Design: Conduct molecular database search utilizing features of substructure and similarity based upon uracil mustard. Place and Duration of Study: Department of Chemistry, Medicinal Chemistry Study Section, University of Nebraska at Omaha, Omaha Nebraska between January 2015 to March 2015.
Methodology: Uracil mustard consists of the pyrimidine derivative uracil, …
Measuring The Alkylation Kinetics And Drug Likeness Of Four Candidate Antineoplastic Compounds, Ronald Bartzatt
Measuring The Alkylation Kinetics And Drug Likeness Of Four Candidate Antineoplastic Compounds, Ronald Bartzatt
Chemistry Faculty Publications
Aims: To synthesize small molecule alkylating compounds and analyze the kinetics of the alkylation in aqueous solution. Determine molecular properties and the drug likeness of these four compounds as potential antineoplastic agents and apply statistical analysis to identify interrelationships of properties.
Study Design: Four compounds were synthesized, characterized, and studied for alkylation capability. The alkylation kinetics were elucidated, as well as drug likeness properties. The interrelationships of properties were examined by statistical methodology.
Place and Duration of Study: Department of Chemistry, Durham Science Center, University of Nebraska at Omaha, Omaha NE, from May 2015 to June 2015.
Methodology: Four compounds …
Friedel–Crafts Hydroxyalkylation Of Indoles Mediated By Trimethylsilyl Trifluoromethanesulfonate, C. Wade Downey, Christopher D. Poff, Alissa N. Nizinski
Friedel–Crafts Hydroxyalkylation Of Indoles Mediated By Trimethylsilyl Trifluoromethanesulfonate, C. Wade Downey, Christopher D. Poff, Alissa N. Nizinski
Chemistry Faculty Publications
Indoles and N-alkylindoles undergo Friedel–Crafts addition to aldehydes in the presence of trimethylsilyl trifluoromethanesulfonate and a trialkylamine to produce 3-(1- silyloxyalkyl)indoles. Neutralization of the reaction mixture with pyridine followed by deprotection under basic conditions with tetrabutylammonium fluoride provides the 1:1 adduct as the free alcohol. This method prevents spontaneous conversion of the desired products to the thermodynamically favored bisindolyl(aryl)methanes, a process typically observed when indoles are reacted with aldehydes under acidic conditions.
First Principles Predictions Of Van Der Waals Bonded Inorganic Crystal Structures: Test Case, Hgcl2, Valentino R. Cooper, Kelling J. Donald
First Principles Predictions Of Van Der Waals Bonded Inorganic Crystal Structures: Test Case, Hgcl2, Valentino R. Cooper, Kelling J. Donald
Chemistry Faculty Publications
We study the crystals structure and stability of four possible polymorphs of HgCl2 using first principles density functional theory. Mercury (II) halides are a unique class of materials which, depending on the halide species, form in a wide range of crystal structures, ranging from densely packed solids to layered materials and molecular solids. Predicting the groundstate structure of any member of this group from first principles, therefore, requires a general purpose functional that treats van der Waals bonding and covalent/ionic bonding adequately. Here, we demonstrate that the non-local van der Waals density functional paired with the C09 exchange functional …
One-Pot Silyl Ketene Acetal-Formation-Mukaiyama–Mannich Additions To Imines Mediated By Trimethylsilyl Trifluoromethanesulfonate, C. Wade Downey, Jared A. Ingersoll, Hadleigh M. Glist, Carolyn M. Dombrowski, Adam T. Barnett
One-Pot Silyl Ketene Acetal-Formation-Mukaiyama–Mannich Additions To Imines Mediated By Trimethylsilyl Trifluoromethanesulfonate, C. Wade Downey, Jared A. Ingersoll, Hadleigh M. Glist, Carolyn M. Dombrowski, Adam T. Barnett
Chemistry Faculty Publications
In the presence of trimethylsilyl trifluoromethanesulfonate and trialkylamine base, thioesters are readily converted to silyl ketene acetals in situ and undergo Mukaiyama–Mannich addition to N-phenylimines in one pot. The silyl triflates appears to play two roles, activating both the thioester and the imine. This process also works well when thioesters are replaced with amides, esters, or ketones. Products are isolated as desilylated anilines without the necessity of a deprotection step. Yields range from 65-99%.