Physical Sciences and Mathematics Commons^™

A Review Of Baobab (Adansonia Digitata) Products: Effect Of Processing Techniques, Medicinal Properties And Uses, Donatien Kabore, Hagrétou Sawadogo-Lingani, Bréhima Diawara, Clarise Compaoré, Mamoudou H. Dicko Prof., Mogens Jacobsen

Pr. Mamoudou H. DICKO, PhD

A general literature review including the effect of processing techniques, medicinal value and uses of baobab tree is reported in this manuscript. Baobab tree has multi-purpose uses, as it produces food and non-food products such as medicines, fuel, timber, fodder. Every part of the baobab tree is reported to be useful. The seeds, leaves, roots, flowers, fruit pulp and bark of baobab are edible. Baobab leaves are used in the preparation of soup. Seeds are used as a thickening agent in soups, but they can be fermented and used as a flavouring agent or roasted and eaten as snacks. The …

Crystal Lattice Desolvation Effects On The Magnetic Quantum Tunneling Of Single-Molecule Magnets, G Redler, Christos Lampropoulos, S Datta, C Koo, T C. Stamatatos, N E. Chakov, G Christou, S Hill

Christos Lampropoulos

High-frequency electron paramagnetic resonance (HFEPR) and alternating current (ac) susceptibility measurements are reported for a new high-symmetry Mn12 complex, [Mn12O12(O2CCH3)16(CH3OH)4]⋅CH3OH. The results are compared to those of other high-symmetry spin S=10 Mn12 single-molecule magnets (SMMs), including the original acetate, [Mn12(O2CCH3)16(H2O)4]⋅2CH3CO2H⋅4H2O, and the [Mn12O12(O2CCH2Br)16(H2O)4]⋅4CH2Cl2 and [Mn12O12(O2CCH2But)16(CH3OH)4]⋅CH3OH complexes. These comparisons reveal important insights into the factors that influence the values of the effective barrier to magnetization reversal, Ueff, deduced on the basis of ac susceptibility measurements. In particular, we find that variations in Ueff can be correlated with the degree of disorder in a crystal which can be controlled by desolvating (drying) …

Spin Dynamics In Single-Molecule Magnets Combining Surface Acoustic Waves And High-Frequency Electron Paramagnetic Resonance, F Macià, J Lawrence, S Hill, J M. Hernandez, J Tejada, P V. Santos, Christos Lampropoulos, G Christou

Christos Lampropoulos

We report an experimental technique that integrates high-frequency surface acoustic waves (SAWs) with high-frequency electron paramagnetic resonance (HFEPR) spectroscopy in order to measure spin dynamics on fast time scales in single-molecule magnets. After the system is driven out of equilibrium by triggering magnetic avalanches, or simply by heating with short SAW pulses, the evolution of the spin populations within fixed energy levels is measured using HFEPR spectroscopy.

Alignment Of Magnetic Anisotropy Axes In Crystals Of Mn12 Acetate And Mn12-Tbuac Molecular Nanomagnets: Angle-Dependent Ac Susceptibility Study, E Burzurí, Ch Carbonera, F Luis, D Ruiz-Molina, Christos Lampropoulos, G Christou

Christos Lampropoulos

We report the results of angular-dependent ac susceptibility experiments performed on two derivatives of Mn12 single-molecular magnets: the well-known Mn12 acetate, which contains disordered acetic acid molecules in interstitial sites of the crystal structure and Mn12-tBuAc, for which solvent molecules are very well ordered in the structure. Our results show (a) that the angular variation is very similar in the two compounds investigated and compatible with a maximum misalignment of the anisotropy axes of less than 3° and (b) that the tunneling rate is faster for the better ordered Mn12-tBuAc compound. These experiments question interstitial disorder as the dominant origin …

Realization Of Random-Field Ising Ferromagnetism In A Molecular Magnet, Bo Wen, P Subedi, Lin Bo, Y Yeshurun, M P. Sarachik, A D. Kent, A J. Millis, Christos Lampropoulos, G Christou

Christos Lampropoulos

The longitudinal magnetic susceptibility of single crystals of the molecular magnet Mn12-acetate obeys a Curie-Weiss law, indicating a transition to a ferromagnetic phase at ∼0.9 K. With increasing magnetic field applied transverse to the easy axis, a marked change is observed in the temperature dependence of the susceptibility, and the suppression of ferromagnetism is considerably more rapid than predicted by mean-field theory for an ordered single crystal. Our results can instead be fit by a Hamiltonian for a random-field Ising ferromagnet in a transverse magnetic field, where the randomness derives from the intrinsic distribution of locally tilted magnetic easy axes …

Effects Of Quantum Mechanics On The Deflagration Threshold In The Molecular Magnet Mn12 Acetate, F Macià, J M. Hernandez, J Tejada, S Datta, S Hill, Christos Lampropoulos, G Christou

Christos Lampropoulos

We report experimental studies of the stability of a Mn12-Ac crystal against magnetic avalanches as a function of the magnitude and direction of the magnetic field, as well as a function of temperature. Strong evidence for quantum effects associated with this phenomenon is seen in the (Hz,Hx) metastability diagram. The data provide further support to the theory of magnetic deflagration.

Experimental Determination Of The Weiss Temperature Of Mn12-Ac And Mn12-Ac-Meoh, Christos Lampropoulos, Shiqi Li, Lin Bo, Bo Wen, M P. Sarachik, P Subedi, A D. Kent, Y Yeshurun, A J. Millis, S Mukherjee, G Christou

Christos Lampropoulos

We report measurements of the susceptibility in the temperature range from 3.5 to 6.0 K of a series of Mn12-ac and Mn12-ac-MeOH samples in the shape of rectangular prisms of length lc and square cross section of side la. The susceptibility obeys a Curie-Weiss law, χ=C/(T−θ), where θ varies systematically with sample aspect ratio. Using published demagnetization factors, we obtain θ for an infinitely long sample corresponding to intrinsic ordering temperatures Tc≈0.85 K and ≈0.74 K for Mn12-ac and Mn12-ac-MeOH, respectively. The difference in Tc for two materials that have nearly identical unit cell volumes and lattice constant ratios suggests …

Computational Studies Of The Role Of Metal Oxides In Combustion-Generated Environmentally Persistent Free Radicals, Randall Hall

Randall W. Hall

No abstract provided.

Promise Of Advances In Simulation Methods For Protein Crystallography: Implicit Solvent Models, Time-Averaging Refinement, And Quantum Mechanical Modeling, Celia Schiffer, Jan Hermans

Celia A. Schiffer

No abstract provided.

Competition Between Ski And Creb-Binding Protein For Binding To Smad Proteins In Transforming Growth Factor-Beta Signaling, Weijun Chen, Suvana Lam, Hema Srinath, Celia Schiffer, William Royer, Kai Lin

Celia A. Schiffer

The family of Smad proteins mediates transforming growth factor-beta (TGF-beta) signaling in cell growth and differentiation. Smads repress or activate TGF-beta signaling by interacting with corepressors (e.g. Ski) or coactivators (e.g. CREB-binding protein (CBP)), respectively. Specifically, Ski has been shown to interfere with the interaction between Smad3 and CBP. However, it is unclear whether Ski competes with CBP for binding to Smads and whether they can interact with Smad3 at the same binding surface on Smad3. We investigated the interactions among purified constructs of Smad, Ski, and CBP in vitro by size-exclusion chromatography, isothermal titration calorimetry, and mutational studies. Here, …

Mass Spectrometry Analysis Of Hiv-1 Vif Reveals An Increase In Ordered Structure Upon Oligomerization In Regions Necessary For Viral Infectivity, Jared Auclair, Karin Green, Shivender Shandilya, James Evans, Mohan Somasundaran, Celia Schiffer

Celia A. Schiffer

HIV-1 Vif, an accessory protein in the viral genome, performs an important role in viral pathogenesis by facilitating the degradation of APOBEC3G, an endogenous cellular inhibitor of HIV-1 replication. In this study, intrinsically disordered regions are predicted in HIV-1 Vif using sequence-based algorithms. Intrinsic disorder may explain why traditional structure determination of HIV-1 Vif has been elusive, making structure-based drug design impossible. To characterize HIV-1 Vif's structural topology and to map the domains involved in oligomerization we used chemical cross-linking, proteolysis, and mass spectrometry. Cross-linking showed evidence of monomer, dimer, and trimer species via denaturing gel analysis and an additional …

Viral Protease Inhibitors, Jeffrey Anderson, Celia Schiffer, Sook-Kyung Lee, Ronald Swanstrom

Celia A. Schiffer

This review provides an overview of the development of viral protease inhibitors as antiviral drugs. We concentrate on HIV-1 protease inhibitors, as these have made the most significant advances in the recent past. Thus, we discuss the biochemistry of HIV-1 protease, inhibitor development, clinical use of inhibitors, and evolution of resistance. Since many different viruses encode essential proteases, it is possible to envision the development of a potent protease inhibitor for other viruses if the processing site sequence and the catalytic mechanism are known. At this time, interest in developing inhibitors is limited to viruses that cause chronic disease, viruses …

Mutation Patterns And Structural Correlates In Human Immunodeficiency Virus Type 1 Protease Following Different Protease Inhibitor Treatments, Thomas Wu, Celia Schiffer, Matthew Gonzales, Jonathan Taylor, Rami Kantor, Sunwen Chou, Dennis Israelski, Andrew Zolopa, W. Jeffrey Fessel, Robert Shafer

Celia A. Schiffer

Although many human immunodeficiency virus type 1 (HIV-1)-infected persons are treated with multiple protease inhibitors in combination or in succession, mutation patterns of protease isolates from these persons have not been characterized. We collected and analyzed 2,244 subtype B HIV-1 isolates from 1,919 persons with different protease inhibitor experiences: 1,004 isolates from untreated persons, 637 isolates from persons who received one protease inhibitor, and 603 isolates from persons receiving two or more protease inhibitors. The median number of protease mutations per isolate increased from 4 in untreated persons to 12 in persons who had received four or more protease inhibitors. …

Curling Of Flap Tips In Hiv-1 Protease As A Mechanism For Substrate Entry And Tolerance Of Drug Resistance, Walter Scott, Celia Schiffer

Celia A. Schiffer

BACKGROUND: The human immunodeficiency virus type 1 (HIV-1) protease is an essential viral protein that is a major drug target in the fight against Acquired Immune Deficiency Syndrome (AIDS). Access to the active site of this homodimeric enzyme is gained when two large flaps, one from each monomer, open. The flap movements are therefore central to the function of the enzyme, yet determining how these flaps move at an atomic level has not been experimentally possible.

RESULTS: In the present study, we observe the flaps of HIV-1 protease completely opening during a 10 ns solvated molecular dynamics simulation starting from …

Exploring The Role Of The Solvent In The Denaturation Of A Protein: A Molecular Dynamics Study Of The Dna Binding Domain Of The 434 Repressor, Celia Schiffer, Volker Dötsch, Kurt Wuthrich, Wilfred Van Gunsteren

Celia A. Schiffer

Molecular dynamics simulations of the DNA binding domain of 434 repressor are presented which aim at unraveling the role of solvent in protein denaturation. Four altered solvent models, each mimicking various possible aspects of the addition of a denaturant to the aqueous solvent, were used in the simulations to analyze their effects on the stability of the protein. The solvent was altered by selectively changing the Coulombic interaction between water and protein atoms and between different water molecules. The use of a modified solvent model has the advantage of mimicking the presence of denaturant without having denaturant molecules present in …

Resilience To Resistance Of Hiv-1 Protease Inhibitors: Profile Of Darunavir, Eric Lefebvre, Celia A. Schiffer

Celia A. Schiffer

The current effectiveness of HAART in the management of HIV infection is compromised by the emergence of extensively cross-resistant strains of HIV-1, requiring a significant need for new therapeutic agents. Due to its crucial role in viral maturation and therefore HIV-1 replication and infectivity, the HIV-1 protease continues to be a major development target for antiretroviral therapy. However, new protease inhibitors must have higher thresholds to the development of resistance and cross-resistance. Research has demonstrated that the binding characteristics between a protease inhibitor and the active site of the HIV-1 protease are key factors in the development of resistance. More …

Structural Analysis Of Human Immunodeficiency Virus Type 1 Crf01_Ae Protease In Complex With The Substrate P1-P6., Rajintha Bandaranayake, Moses Prabu-Jeyabalan, Junko Kakizawa, Wataru Sugiura, Celia Schiffer

Celia A. Schiffer

The effect of amino acid variability between human immunodeficiency virus type 1 (HIV-1) clades on structure and the emergence of resistance mutations in HIV-1 protease has become an area of significant interest in recent years. We determined the first crystal structure of the HIV-1 CRF01_AE protease in complex with the p1-p6 substrate to a resolution of 2.8 A. Hydrogen bonding between the flap hinge and the protease core regions shows significant structural rearrangements in CRF01_AE protease compared to the clade B protease structure.

The Impact Of Driving Conditions On Phev Battery Performance, Nathan Christensen, John Patten, Steven Srivastava, Gary P. Nola

john a patten

The battery performance of a modified Prius with a 5 kWh plug-in battery was documented for a year to determine the impact of environmental conditions and user attributes on vehicle performance. Both fuel economy and pure electrical efficiency were compared to ambient temperature. The fuel economy has a positive relationship with ambient temperature until approximately 70˚F where the efficiency begins to drop. Electrical performance has a positive linear relationship with ambient temperature. With the emergence of electric vehicles (EVs) and PHEVs from a variety of automotive manufacturers, information on EV and PHEV performance for consumers will become more important.

Two Different One-Dimensional Structural Motifs In The Same Coordination Polymer: A Novel Interpenetration Of Infinite Ladders By Bundles Of Infinite Chains, Badruz Zaman, Mark D. Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

A coordination polymer with a novel structural motif
consisting of stacks of infinite ladders interpenetrated by
bundles of infinite chains is described; geometrical arguments
are made for the requirements that can lead to such
interpenetration as a function of ligand dimensions.

Ligand-Directed Molecular Architectures: Self-Assembly Of Two-Dimensional Rectangular Metallocycles And Three-Dimensional Trigonal Or Tetragonal Prisms, Cheng-Yong Su, Yue-Ping Cai, Chun-Long Chen, Mark Smith, Wolfgang Kaim, Hans Conrad Zur Loye

Hans Conrad zur Loye

Three angular ditopic ligands (1,3-bis(benzimidazol-1-ylmethyl)-4,6-dimethylbenzene L1, 1,3-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene L2, and 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene L3) and one tripodal ligand 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene L4 have been prepared. Reaction of these shape-specific designed ligands with different metal salts affords a series of discrete molecular architectures: [Ag2L12](BF4)2 1, [Ag2L22](CF3SO3)2 2, [CF3SO3- Ag2L32]CF3SO3 3, [CF3SO3- Ag2L33]CF3SO3 4, [ClO4- Cu2L24](ClO4)3 5, [4H2O Ni2L24Cl4]·6H2O 6, [BF4- Ag3L42](BF4)2 7, [ClO4- Ag3L42](ClO4)2 8, and [CuI32- Cu3L42]2[Cu2I4] 9. The compounds were characterized by elemental analysis, ESI-MS, IR, and NMR spectroscopy, and X-ray crystallography. 1 is a dinuclear metallacycle with 2-fold rotational symmetry in which two syn-conformational L1ligands are connected by two linearly coordinated Ag+ ions. …

Ca4Iro6, Ca3Mgiro6 And Ca3Zniro6, Matthew J. Davis, Mark D. Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

Single crystals of tetracalcium iridium hexaoxide, Ca₄IrO₆, tricalcium magnesium iridium hexaoxide, Ca₃MgIrO₆, and tricalcium zinc iridium hexaoxide, Ca₃ZnIrO₆, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The three compounds are isostructural and adopt the K₄CdCl₆ structure type, comprised of chains of alternating face-shared [CaO₆], [MgO₆] or [ZnO₆] trigonal prisms and [IrO₆] octahedra, surrounded by columns of Ca²⁺ ions.

Formula: Ca₄IrO₆, Ca_3.34Mg_0.66IrO₆ and …

Tetrakis[2-(2-Pyridyl)Pyridinium] Tetra-Μ3-Iodo-Hexa-Μ2-Iodo-Dodecaiodohexabismuthate And Bis[Tris(2,2'-Bipyridine)Ruthenium(Ii)] Di-Μ4-Iodo-Octa-Μ2-Iodo-Dodecaiodohexabismuthate, Andrea Goforth, Meredith Tershansy, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

Crystals of the title compounds were grown solvothermally in an ethanol-water solvent mixture using ruthenium triiodide, 2,2'-bipyridine and bismuth triiodide as starting materials. Tetrakis[2-(2-pyridyl)pyridinium] tetra-₃-iodo-hexa-₂-iodo-dodecaiodohexabismuthate, (C₁₀H₉N₂)₄[Bi₆I₂₂], crystallizes in the triclinic space group P and is the major reaction product. The asymmetric unit of this compound consists of half a centrosymmetric [Bi₆I₂₂]^4- anion and two independent 2,2'-bipyridinium cations. The minor product of the reaction is bis[tris(2,2'-bipyridine)ruthenium(II)] di-₄-iodo-octa-₂-iodo-dodecaiodohexabismuthate, [Ru(C₁₀H₈N₂)₃] …

Search For Isotope Effect In Superconducting Y-Ba-Cu-O, L C. Bourne, M F. Crommie, A Zettl, Hans Conrad Zur Loye, S W. Keller, K L. Leary, Angelica M. Stacy, K J. Chang, Marvin L. Cohen, Donald E. Morris

Hans Conrad zur Loye

An isotope effect has been searched for in the high-T_c, superconductor YBa₂Cu₃0_{7 —b} through substitution of ¹⁸0 for ¹⁶O. No shift in the superconducting transition temperature T, is observed by electrical resistivity or magnetic susceptibility measurements. We discuss the implications of this result for mechanisms of superconductivity in the high-T, oxides.

Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization And Solid-State Transformation Study, Cheng-Yong Su, Andrea Goforth, Mark Smith, P. Pellechia, Hans Conrad Zur Loye

Hans Conrad zur Loye

An effective solvothermal procedure has been developed to synthesize the new three-dimensional metal−organic framework, [ZnF(AmTAZ)]·solvents, using either 3-amino-1,2,4-triazole (AmTAZ) or 3-amino-1,2,4-triazole-5-carboxylic acid (AmTAZAc) and a choice of several Zn(II) salts as starting materials. The three-dimensional structure displays open-ended, hollow nanotubular channels that are formed by hexanuclear metallamacrocyclic Zn₆F₆(AmTAZ)₆ rings. The framework integrity is maintained to 350 °C, at which point most of the guest solvent molecules have been removed, as evidenced by single-crystal X-ray analyses, ¹H solid-state NMR, and TGA measurements. At higher temperatures, the framework is converted either to zinc oxide (ZnO) when …

Self-Assembled Nanotubes That Reversibly Bind Acetic Acid Guests, Linda Shimizu, Andrew Hughes, Mark Smith, Matthew Davis, B. Zhang, Hans Conrad Zur Loye

Hans Conrad zur Loye

A large bis-urea macrocycle was synthesized and assembled into columnar nanotubes containing a sizable cavity. This purely organic nanotube is held together primarily by hydrogen bonding and yet shows remarkable thermal stability up to 180 °C in the presence and absence of acetic acid guest. This enables the nanotube to be used as reusable organic zeolite.

Tris(1,10-Phenanthroline)Cobalt(Ii) Triiodide, Meredith Tershany, Andrea Goforth, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The asymmetric unit of the title compound, [Co(C₁₂H₈N₂)₃](I₃)₂, contains one [Co(1,10-phenanthroline)₃]²⁺ cation, half each of two centrosymmetric triiodide anions, and one complete triiodide anion. The title compound was synthesized solvothermally from Co(NO₃)₂, 1,10-phenanthroline, and SnI₂, where the SnI₂ reagent serves only as a source of I atoms.

Structure Determination Of Ba8Corh6O21, A New Member Of The 2h-Perovskite Related Oxides, Hans Conrad Zur Loye, M. D. Smith, K. E. Stitzer, A. El Abed, J. Darriet

Hans Conrad zur Loye

Single crystals of Ba₈CoRh₆O₂₁ were grown out of a potassium carbonate flux. The structure was solved by a general method using the superspace group approach. The superspace group employed was R3m(00γ)0s with a = 10.0431(1) Å, c₁ = 2.5946(1) Å and c₂ = 4.5405(1) Å, V = 226.60(1) ų. Ba₈CoRh₆O₂₁ represents the first example of an m = 5, n = 3 member of the A_3n+3mA'_nB_3m+nO_9m+6n family of 2H hexagonal perovskite related oxides and contains chains consisting of six …

Tris(Ethylenediamine)Cobalt(Iii) Nonaiododibismuthate, Andrea Goforth, Rachael Hipp, Mark Smith, Leroy Peterson, Hans Conrad Zur Loye

Hans Conrad zur Loye

The asymmetric unit of the title compound, [Co(C₂H₈N₂)₃][Bi₂I₉], crystallizes in the orthorhombic space group Cmc2₁. The asymmetric unit contains half of a [Co(en)₃]³⁺ cation (en is ethylenediamine) and half of a [Bi₂I₉]^3- anion. Both species are located on mirror planes, requiring the [Co(en)₃]³⁺ cation to be present as a statistically disordered mixture of both enantiomeric forms. Crystals were grown solvothermally from an ethanol-water solvent mixture using rac-[Co(en)₃]I₃ and bismuth triiodide …

Sr3Znpto6 And Sr3Cdpto6, Mark D. Smith, Hans Conrad Zur Loye

Hans Conrad zur Loye

The flux synthesis of single crystals of the isostructural compounds tristrontium zinc platinum hexaoxide, Sr₃ZnPtO₆, and tristrontium cadmium platinum hexaoxide, Sr₃CdPtO₆, is reported. The compounds adopt the pseudo-one-dimensional rhombohedral K₄CdCl₆ structure type, and feature chains of face-shared distorted ZnO₆ or CdO₆ trigonal prisms and PtO₆ octahedra, surrounded by columns of Sr²⁺ ions. All transition metals are located on the threefold axis of symmetry, while the Sr²⁺ cations lie on twofold axes.

Formula: Sr₃ZnPtO₆ and Sr₃CdPtO₆

High Temperature Superconductivity In Y-Ba-Cu-O: Identification Of A Copper-Rich Superconducting Phase, Angelica Stacy, John Badding, Margret Gesselbracht, William Ham, Gary Holland, Renata Hoskins, Steven Keller, Clark Millikan, Hans Conrad Zur Loye

Hans Conrad zur Loye

For the past 15 years, advances in superconductivity have come about only slowly and even a 0.5 K increase in transition temperature was noteworthy. Until April 1986, the highest transition temperatures were near 23 K. At that time, Bednorz and Muller reported superconductivity in La-Ba-Cu-0 compounds above 30K. Following this breakthrough, there were further studies of these phases and superconductivity was found also in similar solids containing Sr and Ca instead of Ba. The superconducting phase was identified as a layered perovskite A2-xBxCu04 with tetragonal symmetry, where A = La3+ and B = Ca2+, Sr2+, or Ba2+. The Sr compounds …