Open Access. Powered by Scholars. Published by Universities.®
- Discipline
- Keyword
-
- Catalyst design (2)
- DFT (2)
- Organocatalysis (2)
- PAR1 (2)
- (pentadienyl)iron cation (1)
-
- 2E (1)
- 4E-dienylphosphonium (1)
- Aldehyde (1)
- Alkene complexes (1)
- Alkenylation (1)
- Alkylation (1)
- Alkyne (1)
- Alkyne activation (1)
- Aminocyclitols (1)
- Aminophenol dioxygenase (1)
- Antibiotic-resistant bacteria (1)
- Antifungal agents (1)
- Artificial Photosynthesis (1)
- Bifunctional catalysis (1)
- Cadmium sulfide (1)
- Calcium mobilization (1)
- Cancer (1)
- Catalytic intermediates (1)
- Charge-separation dynamics (1)
- Chiral pool (1)
- Copper(I) (1)
- Crystal structure (1)
- Cyclizations (1)
- Cysteine dioxygenase (1)
- Cytoprotection (1)
- Publication
- Publication Type
Articles 31 - 44 of 44
Full-Text Articles in Chemistry
Reaction Chemistry Of Silver(I) Trifluoromethanesulfonate Complexes Of Nitrogen-Confused C-Scorpionates, James R. Gardinier, Kristin J. Meise, Fathiya Jahan, Sergey V. Lindeman
Reaction Chemistry Of Silver(I) Trifluoromethanesulfonate Complexes Of Nitrogen-Confused C-Scorpionates, James R. Gardinier, Kristin J. Meise, Fathiya Jahan, Sergey V. Lindeman
Chemistry Faculty Research and Publications
Two new C-scorpionate ligands with a bis(3,5-dimethylpyrazol-1-yl)methyl group bound to the 3 position of either an N-tosyl (TsL*) or an N–H pyrazole (HL*) ring have been prepared. The silver(I) complexes of these new ligands and the two previously reported analogous ligands with unsubstituted bis(pyrazol-1-yl)methyl groups (TsL and HL) in both 1:1 and 2:1 ligand/metal ratios were investigated to explore the effects of ligand sterics on their physical and chemical properties. The structurally characterized derivatives of the type [Ag(L)2](OTf) are four-coordinate, where the confused pyrazolyl is not bound to the …
Par1 Agonists Stimulate Apc-Like Endothelial Cytoprotection And Confer Resistance To Thromboinflammatory Injury, Karen De Ceunynck, Christian G. Peters, Abhishek Jain, Sarah J. Higgins, Omozuanvbo Aisiku, Jennifer L. Fitch-Tewfik, Sharjeel A. Chaudhry, Chris Dockendorff, Samir M. Parikh, Donald E. Ingber, Robert Flaumenhaft
Par1 Agonists Stimulate Apc-Like Endothelial Cytoprotection And Confer Resistance To Thromboinflammatory Injury, Karen De Ceunynck, Christian G. Peters, Abhishek Jain, Sarah J. Higgins, Omozuanvbo Aisiku, Jennifer L. Fitch-Tewfik, Sharjeel A. Chaudhry, Chris Dockendorff, Samir M. Parikh, Donald E. Ingber, Robert Flaumenhaft
Chemistry Faculty Research and Publications
Stimulation of protease-activated receptor 1 (PAR1) on endothelium by activated protein C (APC) is protective in several animal models of disease, and APC has been used clinically in severe sepsis and wound healing. Clinical use of APC, however, is limited by its immunogenicity and its anticoagulant activity. We show that a class of small molecules termed “parmodulins” that act at the cytosolic face of PAR1 stimulates APC-like cytoprotective signaling in endothelium. Parmodulins block thrombin generation in response to inflammatory mediators and inhibit platelet accumulation on endothelium cultured under flow. Evaluation of the antithrombotic mechanism showed that parmodulins induce cytoprotective signaling …
Elucidating Charge Separation Dynamics In A Hybrid Metal–Organic Framework Photocatalyst For Light-Driven H2 Evolution, Sizhuo Yang, Donghua Fan, Wenhui Hu, Brian Pattengale, Cunming Liu, Xiaoyi Zhang, Jier Huang
Elucidating Charge Separation Dynamics In A Hybrid Metal–Organic Framework Photocatalyst For Light-Driven H2 Evolution, Sizhuo Yang, Donghua Fan, Wenhui Hu, Brian Pattengale, Cunming Liu, Xiaoyi Zhang, Jier Huang
Chemistry Faculty Research and Publications
Metal–organic frameworks (MOFs) have emerged as novel scaffolds for artificial photosynthesis due to their unique capability in incorporating homogeneous photosensitizer and catalyst to their robust heterogeneous matrix. In this work, we report the charge separation dynamics between molecular Ru-photosensitizer and Pt-catalyst, both of which were successfully incorporated into a Zr-MOF that demonstrates excellent activity and stability for light-driven H2 generation from water. Using optical transient absorption (OTA) spectroscopy, we show that charge separation in this hybrid MOF occurs via electron transfer (ET) from Ru-photosensitizer to Pt-catalyst. Using Pt L3-edge X-ray transient absorption (XTA) spectroscopy, we observed the …
Facile Synthesis, Structure, Biocompatibility And Antimicrobial Property Of Gold Nanoparticle Composites From Cellulose And Keratin, Chieu D. Tran, Franja Prosenc, Mladen Franko
Facile Synthesis, Structure, Biocompatibility And Antimicrobial Property Of Gold Nanoparticle Composites From Cellulose And Keratin, Chieu D. Tran, Franja Prosenc, Mladen Franko
Chemistry Faculty Research and Publications
A novel, one-pot method was developed to synthesize gold nanoparticle composite from cellulose (CEL), wool keratin (KER) and chloroauric acid. Two ionic liquids, butylmethylimmidazolium chloride and ethylmethylimmidazolium bis(trifluoromethylsulfonyl)imide were used to dissolve CEL, KER and HAuCl4. X-ray diffraction and X-ray photoelectron results show that Au3+ was completely reduced to Au0NPs with size of (5.5 ± 1) nm directly in the composite with NaBH4. Spectroscopy and imaging results indicate that CEL and KER remained chemically intact and were homogeneously distributed in the composites with Au0NPs. Encapsulating Au0NPs into [CEL+KER] …
Fhbc, A Hexa‐Peri‐Hexabenzocoronene–Fluorene Hybrid: A Platform For Highly Soluble, Easily Functionalizable Hbcs With An Expanded Graphitic Core, Tushar S. Navale, Maxim V. Ivanov, Mohammad M. Hossain, Rajendra Rathore
Fhbc, A Hexa‐Peri‐Hexabenzocoronene–Fluorene Hybrid: A Platform For Highly Soluble, Easily Functionalizable Hbcs With An Expanded Graphitic Core, Tushar S. Navale, Maxim V. Ivanov, Mohammad M. Hossain, Rajendra Rathore
Chemistry Faculty Research and Publications
Materials based upon hexa‐peri‐hexabenzocoronenes (HBCs) show significant promise in a variety of photovoltaic applications. There remains the need, however, for a soluble, versatile, HBC‐based platform, which can be tailored by incorporation of electroactive groups or groups that can prompt self‐assembly. The synthesis of a HBC–fluorene hybrid is presented that contains an expanded graphitic core that is highly soluble, resists aggregation, and can be readily functionalized at its vertices. This new HBC platform can be tailored to incorporate six electroactive groups at its vertices, as exemplified by a facile synthesis of a representative hexaaryl derivative of FHBC. Synthesis of …
DicarbonYl{[(E,E)-(2,3,4,5-Η)-6-MethOxy-6-Oxo-2,4-HexaDienYl]TriPhenylPhosphoNium}(TriPhenylPhosphane-ΚP)Iron(1+) HexaFluoridoPhosphate, Yuzhi Ma, Sergey V. Lindeman, William A. Donaldson
DicarbonYl{[(E,E)-(2,3,4,5-Η)-6-MethOxy-6-Oxo-2,4-HexaDienYl]TriPhenylPhosphoNium}(TriPhenylPhosphane-ΚP)Iron(1+) HexaFluoridoPhosphate, Yuzhi Ma, Sergey V. Lindeman, William A. Donaldson
Chemistry Faculty Research and Publications
In the title compound, [Fe(C25H24O2P)(C18H15P)(CO)2]PF6, the Fe atom adopts a square-based pyramidal coordination geometry with the carbonyl groups and the two C=C bonds of the diene defining the basal sites and the phosphane ligand the apical position. The diene ligand has an E,E geometry, with the phosphonium fragment pointed away from the Fe atom. The crystal structure displays C—H⋯F and C—H⋯O hydrogen bonding. The PF6− anion is rotationally disordered over four orientations.
Quantum Dynamics Of Isolated Molecules: General Discussion, Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary, Robert Donovan, Ingo Fischer, Francesco Gianturco, Majdi Hochlaf, Susmita Kar, Adam Kirrander, Stephen Leone, Thomas Malcomson, Uwe Manthe, Anne B. Mccoy, Jens Petersen, Jeremy Richardson, Petr Slavíček, Thierry Stoecklin, Krzysztof Szalewicz, Ad Van Der Avoird, Roland Wester, Graham Worth, Anne Zehnacker-Rentien
Quantum Dynamics Of Isolated Molecules: General Discussion, Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary, Robert Donovan, Ingo Fischer, Francesco Gianturco, Majdi Hochlaf, Susmita Kar, Adam Kirrander, Stephen Leone, Thomas Malcomson, Uwe Manthe, Anne B. Mccoy, Jens Petersen, Jeremy Richardson, Petr Slavíček, Thierry Stoecklin, Krzysztof Szalewicz, Ad Van Der Avoird, Roland Wester, Graham Worth, Anne Zehnacker-Rentien
Chemistry Faculty Research and Publications
No abstract provided.
Recent Progress In The Synthesis Of Six-Membered Aminocyclitols (2008-2017), William Donaldson
Recent Progress In The Synthesis Of Six-Membered Aminocyclitols (2008-2017), William Donaldson
Chemistry Faculty Research and Publications
Aminocyclitols are of interest as glucosidase inhibitors, as probes for the study of pseudoglycosyltransferases, and as potential therapeutics for the treatment of Gaucher’s disease. The synthesis of these targets was reviewed in early 2008, and the aim of this review is to cover material relevant to the synthesis of aminocyclitols since that time. While not a focus of this review, biological evaluation of compounds will be presented where it is recorded in the literature.
Structural Evidence Of A Major Conformational Change Triggered By Substrate Binding In Dape Enzymes: Impact On The Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Structural Evidence Of A Major Conformational Change Triggered By Substrate Binding In Dape Enzymes: Impact On The Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Chemistry Faculty Research and Publications
The X-ray crystal structure of the dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase from Haemophilus influenzae (HiDapE) bound by the products of hydrolysis, succinic acid and l,l-DAP, was determined at 1.95 Å. Surprisingly, the structure bound to the products revealed that HiDapE undergoes a significant conformational change in which the catalytic domain rotates ∼50° and shifts ∼10.1 Å (as measured at the position of the Zn atoms) relative to the dimerization domain. This heretofore unobserved closed conformation revealed significant movements within the catalytic domain compared to that of wild-type HiDapE, which results in effectively closing off access to …
Strength Of Π-Stacking, From Neutral To Cation: Precision Measurement Of Binding Energies In An Isolated Π-Stacked Dimer, Damian Kokkin, Maxim V. Ivanov, John Loman, Jin-Zhe Cai, Rajendra Rathore, Scott A. Reid
Strength Of Π-Stacking, From Neutral To Cation: Precision Measurement Of Binding Energies In An Isolated Π-Stacked Dimer, Damian Kokkin, Maxim V. Ivanov, John Loman, Jin-Zhe Cai, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications
π-Stacking interactions are ubiquitious across chemistry and biochemistry, impacting areas from organic materials and photovoltaics to biochemistry and DNA. However, experimental data is lacking regarding the strength of π-stacking forces—an issue not settled even for the simplest model system, the isolated benzene dimer. Here, we use two-color appearance potential measurements to determine the binding energies of the isolated, π-stacked dimer of fluorene (C13H10) in ground, excited, and ionic states. Our measurements provide the first precise values for π-stacking interaction energies in these states, which are key benchmarks for theory. Indeed, theoretical predictions using ab initio and …
Human P450 Cyp17a1: Control Of Substrate Preference By Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, Stephen G. Sligar
Human P450 Cyp17a1: Control Of Substrate Preference By Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, Stephen G. Sligar
Chemistry Faculty Research and Publications
CYP17A1 is a key steroidogenic enzyme known to conduct several distinct chemical transformations on multiple substrates. In its hydroxylase activity, this enzyme adds a hydroxyl group at the 17α position of both pregnenolone and progesterone at approximately equal rates. However, the subsequent 17,20 carbon–carbon scission reaction displays variable substrate specificity in the numerous CYP17A1 isozymes operating in vertebrates, manifesting as different Kd and kcat values when presented with 17α-hydroxypregnenlone (OHPREG) versus 17α-hydroxyprogesterone (OHPROG). Here we show that the identity of the residue at position 202 in human CYP17A1, thought to form a hydrogen bond with the A-ring alcohol …
Study Of Förster Resonance Energy Transfer To Lipid Domain Markers Ascertains Partitioning Of Semisynthetic Lipidated N-Ras In Lipid Raft Nanodomains, Anna K. Shishina, Elizaveta A. Kovrigina, Azamat R. Galiakhmetov, Rajendra Rathore, Evgenii L. Kovrigin
Study Of Förster Resonance Energy Transfer To Lipid Domain Markers Ascertains Partitioning Of Semisynthetic Lipidated N-Ras In Lipid Raft Nanodomains, Anna K. Shishina, Elizaveta A. Kovrigina, Azamat R. Galiakhmetov, Rajendra Rathore, Evgenii L. Kovrigin
Chemistry Faculty Research and Publications
Cellular membranes are heterogeneous planar lipid bilayers displaying lateral phase separation with the nanometer-scale liquid-ordered phase (also known as “lipid rafts”) surrounded by the liquid-disordered phase. Many membrane-associated proteins were found to permanently integrate into the lipid rafts, which is critical for their biological function. Isoforms H and N of Ras GTPase possess a unique ability to switch their lipid domain preference depending on the type of bound guanine nucleotide (GDP or GTP). This behavior, however, has never been demonstrated in vitro in model bilayers with recombinant proteins and therefore has been attributed to the action of binding of Ras …
Several Levels Of Theory For Description Of Isotope Effects In Ozone: Symmetry Effect And Mass Effect, Alexander Teplukhin, Dmitri Babikov
Several Levels Of Theory For Description Of Isotope Effects In Ozone: Symmetry Effect And Mass Effect, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications
The essential components of theory for the description of isotope effects in recombination reaction that forms ozone are presented, including the introduction of three reaction pathways for symmetric and asymmetric isotopomers, a brief review of relevant experimental data for singly- and doubly substituted isotopologues, the definitions of ζ-effect and η-effect, and the introduction of isotopic enrichment δ. Two levels of theory are developed to elucidate the role of molecular symmetry, atomic masses, vibrational zero-point energies, and rotational excitations in the recombination process. The issue of symmetry is not trivial, since the important factors, such as 1/2 and 2, appear in …
A–C Estrogens As Potent And Selective Estrogen Receptor-Beta Agonists (Serbas) To Enhance Memory Consolidation Under Low-Estrogen Conditions, Alicia M. Hanson, K. L. Iresha Sampathi Perera, Jaekyoon Kim, Rajesh K. Pandey, Noreena Sweeney, Xingyun Lu, Andrea Imhoff, Alexander Craig Mackinnon, Adam J. Wargolet, Rochelle M. Van Hart, Karyn M. Frick, William A. Donaldson, Daniel S. Sem
A–C Estrogens As Potent And Selective Estrogen Receptor-Beta Agonists (Serbas) To Enhance Memory Consolidation Under Low-Estrogen Conditions, Alicia M. Hanson, K. L. Iresha Sampathi Perera, Jaekyoon Kim, Rajesh K. Pandey, Noreena Sweeney, Xingyun Lu, Andrea Imhoff, Alexander Craig Mackinnon, Adam J. Wargolet, Rochelle M. Van Hart, Karyn M. Frick, William A. Donaldson, Daniel S. Sem
Chemistry Faculty Research and Publications
Estrogen receptor-beta (ERβ) is a drug target for memory consolidation in postmenopausal women. Herein is reported a series of potent and selective ERβ agonists (SERBAs) with in vivo efficacy that are A–C estrogens, lacking the B and D estrogen rings. The most potent and selective A–C estrogen is selective for activating ER relative to seven other nuclear hormone receptors, with a surprising 750-fold selectivity for the β over α isoform and with EC50s of 20–30 nM in cell-based and direct binding assays. Comparison of potency in different assays suggests that the ER isoform selectivity is related to the …