Home About us Contact
|
Home About us Contact | ||
|
|
||
Ring Structure (ring + structure)
Selected AbstractsRing structure made in the shadeASTRONOMY & GEOPHYSICS, Issue 3 2008Article first published online: 13 MAY 200 Galileo dust impact data from Jupiter's faint rings have revealed the significance of shadows in the formation of structure in dusty planetary rings. [source] Structure,activity relationships for gene activation oestrogenicity: Evaluation of a diverse set of aromatic chemicalsENVIRONMENTAL TOXICOLOGY, Issue 1 2002T. Wayne Schultz Abstract Structure,activity relationships for oestrogenicity were developed based on 120 aromatic chemicals evaluated in the Saccharomyces cerevisiae -based Lac -Z reporter assay. Relative gene activation was compared to 17,-estradiol and varied over eight orders of magnitude. Analysis of the data compared to 17,-estradiol identified three structural criteria that were related to xenoestrogen activity and potency: (1) the hydrogen-bonding ability of the phenolic ring mimicking the A-ring, (2) a hydrophobic centre similar in size and shape to the B- and C-rings, and (3) a hydrogen-bond donor mimicking the 17,-hydroxyl moiety of the D-ring, especially with an oxygen-to-oxygen distance similar to that between the 3- and 17,-hydroxyl groups of 17,-estradiol. Binding data were segregated into activity clusters including strong, moderate, weak, and detectable gene expression, and those compounds that were inactive. The hydrogen-bonding ability of hydroxy group in the 3-position on 17,-estradiol was observed to be essential for gene activation. Compounds with a 4-hydroxyl substituted benzene ring and a hydrophobic moiety of size and shape equivalent to the B-ring of 17,-estradiol were generally observed to be weakly active compounds. Moderately active compounds have a 4-hydroxyl substituted benzene ring with a hydrophobic moiety equivalent in size and shape to the B- and C-ring of 17,-estradiol, or have a high hydrogen-bond donor capacity owing to the presence of halogens on a nonphenolic ring. Strongly active compounds, similar to 4,4,-diethylethylene bisphenol (DES), possess the same hydrophobic ring structure as described for moderately active compounds and an additional hydroxyl group with an oxygen-to-oxygen distance close to that exhibited by the 3- and 17-hydroxyl groups of 17,-estradiol. © 2002 by Wiley Periodicals, Inc. Environ Toxicol 17: 14,23, 2002 [source] "Tail,Tail Dimerization" of Ferrocene Amino Acid DerivativesEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 25 2010Daniel Siebler Abstract Acid anhydrides of N-protected 1,-aminoferrocene-1-carboxylic acid (Fca) have been prepared and spectroscopically characterized (protection group Boc, Fmoc, Ac; 4a,4c). The structure of the Boc-derivative 4a has been determined by single-crystal X-ray crystallography. An intramolecular N,H···O hydrogen bond involving the carbamate units results in a ring structure containing the two ferrocene units, the anhydride moiety, and the hydrogen bond. In the crystal, the individual molecules are connected by intermolecular N,H···O hydrogen bonds of the carbamate unit. Experimental and theoretical studies suggest that the ring motif is also a dominant species in solution. Electronic communication across the anhydride moiety is found to be very weak as judged from electrochemical, spectroscopic, and theoretical experiments. [source] The allene oxide cyclase family of Arabidopsis thaliana , localization and cyclizationFEBS JOURNAL, Issue 10 2008Florian Schaller Jasmonates are derived from oxygenated fatty acids (oxylipins) via the octadecanoid pathway and are characterized by a pentacyclic ring structure. They have regulatory functions as signaling molecules in plant development and adaptation to environmental stress. Recently, we solved the structure of allene oxide cyclase 2 (AOC2) of Arabidopsis thaliana, which is, together with the other three AOCs, a key enzyme in the biosynthesis of jasmonates, in that it releases the first cyclic and biologically active metabolite , 12-oxo-phytodienoic acid (OPDA). On the basis of models for the bound substrate, 12,13(S)-epoxy-9(Z),11,15(Z)-octadecatrienoic acid, and the product, OPDA, we proposed that a conserved Glu promotes the reaction by anchimeric assistance. According to this hypothesis, the transition state with a pentadienyl carbocation and an oxyanion is stabilized by a strongly bound water molecule and favorable ,,, interactions with aromatic residues in the cavity. Stereoselectivity results from steric restrictions to the necessary substrate isomerizations imposed by the protein environment. Here, site-directed mutagenesis was used to explore and verify the proposed reaction mechanism. In a comparative analysis of the AOC family from A. thaliana involving enzymatic characterization, in vitro import, and transient expression of AOC,enhanced green fluorescent protein fusion proteins for analysis of subcellular targeting, we demonstrate that all four AOC isoenzymes may contribute to jasmonate biosynthesis, as they are all located in chloroplasts and, in concert with the allene oxide synthase, they are all able to convert 13(S)-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid into enantiomerically pure cis(+)-OPDA. [source] Arginine-induced conformational change in the c -ring/a -subunit interface of ATP synthaseFEBS JOURNAL, Issue 9 2008Thomas Vorburger The rotational mechanism of ATP synthases requires a unique interface between the stator a subunit and the rotating c -ring to accommodate stability and smooth rotation simultaneously. The recently published c -ring crystal structure of the ATP synthase of Ilyobacter tartaricus represents the conformation in the absence of subunit a. However, in order to understand the dynamic structural processes during ion translocation, studies in the presence of subunit a are required. Here, by intersubunit Cys,Cys cross-linking, the relative topography of the interacting helical faces of subunits a and c from the I. tartaricus ATP synthase has been mapped. According to these data, the essential stator arginine (aR226) is located between the c -ring binding pocket and the cytoplasm. Furthermore, the spatially vicinal residues cT67C and cG68C in the isolated c -ring structure yielded largely asymmetric cross-linking products with aN230C of subunit a, suggesting a small, but significant conformational change of binding-site residues upon contact with subunit a. The conformational change was dependent on the positive charge of the stator arginine or the aR226H substitution. Energy-minimization calculations revealed possible modes for the interaction between the stator arginine and the c -ring. These biochemical results and structural restraints support a model in which the stator arginine operates as a pendulum, moving in and out of the binding pocket as the c -ring rotates along the interface with subunit a. This mechanism allows efficient interaction between subunit a and the c- ring and simultaneously allows almost frictionless movement against each other. [source] Sterol-induced upregulation of phosphatidylcholine synthesis in cultured fibroblasts is affected by the double-bond position in the sterol tetracyclic ring structureFEBS JOURNAL, Issue 21 2000Petra Leppimäki We have examined how a specific enrichment of cultured fibroblasts with various sterols (cholesterol, lathosterol, 7-dehydrocholesterol, allocholesterol and dihydrocholesterol) regulate synthesis de novo of phosphatidylcholine, cholesterol and cholesteryl (or steryl) esters in human skin fibroblasts. When human skin fibroblasts were incubated for 1 h with 130 µm cholesterol/CyD complexes, the mass of cellular free cholesterol increased by 100 nmol·mg,1 protein (from 90 nmol·mg,1 to 190 nmol·mg,1 protein). A similar exposure of cells to different sterol/CyD complexes increased the cell sterol content between 38 and 181 nmol sterol per mg cell protein. In cholesterol-enriched cells, the rate of phosphatidylcholine synthesis was doubled compared to control cells, irrespective of the type of precursor used ([3H]choline, [3H]palmitic acid, or [14C]glycerol). Enrichment of fibroblasts with 7-dehydrocholesterol, allocholesterol, or dihydrocholesterol also upregulated phosphatidylcholine synthesis, whereas cells enriched with lathosterol failed to upregulate their phosphatidylcholine synthesis. The activity of membrane-bound CTP:phosphocholine cytidylyltransferase, the rate-limiting enzyme, was increased by 47 ± 4% in cholesterol-enriched cells whereas its activity was unchanged in lathosterol-enriched cells. Sterol enrichment with all tested sterols (including lathosterol) down-regulated acetate-incorporation into cholesterol, and upregulated sterol esterification in the sterol-enriched fibroblasts. Using 31P-NMR to measure the lamellar-to-hexagonal (L,,HII) phase transition in multilamellar lipid dispersions, lathosterol-containing membranes underwent their transition at significantly higher temperatures compared to membranes containing any of the other sterols. In a system with 1-palmitoyl-2-oleoyl- sn -glycero-3-phosphoethanolamine and either cholesterol or lathosterol (70 : 30 mol/mol), differential scanning calorimetry also revealed that the L,,HII -transition occurred at a higher temperature with lathosterol compared to either cholesterol, allocholesterol, or dihydrocholesterol. These findings together suggest that there may exist a correlation between the propensity of a sterol to stabilize the L,,HII -transition and its capacity to upregulate the activity of CTP:phosphocholine cytidylyltransferase in cells. [source] Ultralow Dielectric Constant Tetravinyltetramethylcyclotetrasiloxane Films Deposited by Initiated Chemical Vapor Deposition (iCVD)ADVANCED FUNCTIONAL MATERIALS, Issue 4 2010Nathan J. Trujillo Abstract Simultaneous improvement of mechanical properties and lowering of the dielectric constant occur when films grown from the cyclic monomer tetravinyltetramethylcyclotetrasiloxane (V4D4) via initiated chemical vapor deposition (iCVD) are thermally cured in air. Clear signatures from silsesquioxane cage structures in the annealed films appear in the Fourier transform IR (1140,cm,1) and Raman (1117,cm,1) spectra. The iCVD method consumes an order of magnitude lower power density than the traditional plasma-enhanced CVD, thus preserving the precursor's delicate ring structure and organic substituents in the as-deposited films. The high degree of structural retention in the as-deposited film allows for the beneficial formation of intrinsically porous silsesquioxane cages upon annealing in air. Complete oxidation of the silicon creates ,Q' groups, which impart greater hardness and modulus to the films by increasing the average connectivity number of the film matrix beyond the percolation of rigidity. The removal of labile hydrocarbon moieties allows for the oxidation of the as-deposited film while simultaneously inducing porosity. This combination of events avoids the typical trade-off between improved mechanical properties and higher dielectric constants. Films annealed at 410,°C have a dielectric constant of 2.15, and a hardness and modulus of 0.78 and 5.4,GPa, respectively. The solvent-less and low-energy nature of iCVD make it attractive from an environmental safety and health perspective. [source] Time-dependent and time-independent approaches for the computation of absorption spectra of Uracil derivatives in solutionINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 3 2010Roberto Improta Abstract In this contribution we discuss the most significant benefits and drawbacks of the alternative time-independent (TI) and time-dependent (TD) approaches to the calculation of absorption spectra of molecules in solutions. Eigenstate-free TD methods are in principle the most suitable route to face with the calculation of optical spectra in nonadiabatic systems, most of all in presence of conical intersections easily accessible from the Franck,Condon region. However, here we show that, in selected cases, a combined strategy that adopts TD methods to assess the impact of nonadiabatic couplings on the spectrum and subsequently applies TI methods to include all the degrees of freedom can reveal very convenient. Such a combined TD/TI strategy has been applied to the calculation of the spectrum of Uracil and 5Fluoro-Uracil in acetonitrile. TD studies on reduced dimensionality diabatic models indicate that nonadiabatic effects are moderate and are not the main origin of the diffuse spectral shapes observed in experiments. Subsequent full-coordinate TI calculations allow assigning this feature to intrinsic characteristics of a ,,* excitation of a small molecular ring structure. This latter introduces remarkable deformation in all the ring structure thus inducing a FC activity in many molecular normal modes both due to displacements of the equilibrium structures and to Duschinsky mixings of the normal coordinates. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 [source] New insights on the bridge carbon,carbon bond in propellanes: A theoretical study based on the analysis of the electron localization functionJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 5 2007Victor Polo Abstract The nature of the bonding between bridgehead carbon atoms (Ca, Ca,) as well as the ring strain in a family of 10 propellanes formed by three-, four-, or five-member rings: [1.1.1] (I), [2.1.1] (II), [3.1.1] (III), [2.2.1] (IV), [3.2.1] (V), [2.2.2] (VI), [3.3.1] (VII), [3.2.2] (VIII), [3.3.2] (IX), and [3.3.3] (X) are studied by means of the electron localization function (ELF) at the DFT level (B3LYP/cc-pVTZ). The ELF analysis of smaller propellanes (I, II, and III) reveals the coexistence of two resonance forms: one with a nonbonding electron pair partially delocalized between Ca and Ca, atoms outside the cage (ionic) and the other with a bridge bond between the same atoms (covalent). The weights of each form are calculated according to the ELF-basin populations, yielding 94, 88, and 53% for the ionic structure of I, II, and III, respectively, while larger propellanes (IV,X) present only the covalent form. The question of the s-character of the bridge bond is addressed by dissecting the bridge-bond ELF basin into the molecular orbital contributions. Finally, ,-aromaticity associated to surface electron delocalization has been analyzed by means of nucleus-independent chemical shift (NICS) calculations. The results point out that the stability of the fused ring structure of propellanes I, II, and III, can be assigned to the remarkable ,-aromaticity of the involved three-member rings. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007 [source] Applicability of MNDO techniques AM1 and PM3 to ring-structured polymersJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 12 2002L. Y. A. Dávila Abstract Semiempirical Hartree-Fock techniques are widely used to study properties of long ring-structured chains, although these types of systems were not included in the original parametrization ensembles. These techniques are very useful for an ample class of studies, and their predictive power should be tested. We present here a study of the applicability of some techniques from the NDDO family (MNDO, AM1, and PM3) to the calculation of the ground state geometries of a specific set of molecules with the ring-structure characteristic. For this we have chosen to compare results against ab initio Restricted Hartree-Fock 6-31G(d,p) calculations, extended to Møller-Plesset 2 perturbation theory for special cases. The systems investigated comprise the orthobenzoquinone (O2C6H4) molecule and dimers (O2C6H4)2, as well as trimers of polyaniline, which present characteristics that extend to several systems of interest in the field of conducting polymers, such as ring structure and heterosubstitution. We focus on the torsion between rings, because this angle is known to affect strongly the electronic and optical properties of conjugated polymers. We find that AM1 is always in qualitative agreement with the ab initio results, and is thus indicated for further studies of longer, more complicated chains. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1135,1142, 2002 [source] Influence of differently ionized species on fragmentation pathways and energetics of a potential adenosine receptor antagonist using a triple quadrupole and a multistage LTQ-OrbitrapÔ FTMS instrumentJOURNAL OF HETEROCYCLIC CHEMISTRY, Issue 4 2009Wendy Zhong A systematic study was conducted to investigate the influence of differently ionized species on the fragmentation pathways and energetics of a piperazine-containing adenosine by using different cations or anions. Very different fragmentation mechanisms were observed in protonated- versus sodiated-molecules, which indicated that the proton is mobilized to promote the charge-direct fragmentation, whereas Na+ cation was fixed at the heterotricyclic ring structure provoking charge-remote fragment ions. This finding was also supported by the results observed in the fragmentation behaviors in the deprotonated-molecule. The energetics of these fragment ions were also explored by using the breakdown curves obtained from the triple quadrupole and LTQ-OrbitrapÔ instrument. The data indicated that the lowest energy pathways in the protonated-molecule [M+H]+ involve breaking a CN bond connecting an ethylene bridge and heterotricyclic ring structure. The lowest energy pathway is the cleavage of a CO bond connecting the methoxy ethyl group and phenolic oxygen to form a distonic radical ion for a sodiated-molecule [M+Na+]and a deprotonated-molecule [M-H],. The data suggest that by choosing the differently ionized species, one can probe different fragmentation channels that can provide additional structure information for an unknown impurity and possibly degradation product identification. In addition, by comparing the data obtained from triple quadrupole and LTQ-Orbitrap instruments, one can develop further understanding of the differences in the fragmentation behaviors due to the variations in the collision activation-dissociation process. From the side-by-side comparison with the breakdown curves obtained for both instruments, the difference in fragmentation behaviors caused by the difference in dissociation processes that occur in these two types of instruments can be probed. J. Heterocyclic Chem., (2009). [source] When epitaxy controls garnet growthJOURNAL OF METAMORPHIC GEOLOGY, Issue 4 2007R. SPIESS Abstract Within a mica schist from the coesite-bearing Brossasco-Isasca Unit (Western Alps), microstructural analysis shows that Alpine garnet grains are aligned with the crenulated foliation. Garnet crystallographic orientation was analysed with electron backscatter diffraction (EBSD): the obtained crystallographic dispersion patterns and distribution patterns of misorientation axes suggest a strong parallelism of {110} garnet planes with a 56°W-dipping foliation. The data are interpreted as evidence for an epitaxial growth of garnet upon (001) biotite planes, sometime during and/or after dispersion of the biotite/garnet crystals from their initially foliation-parallel orientation by rotation about the Alpine crenulation axis. This interpretation is based on the comparison of the measured EBSD data with: (i) theoretical dispersion trajectories of garnet crystallographic data, (ii) numerically modelled pole figures, and (iii) numerically modelled misorientation axis distribution patterns. Our data suggest that epitaxial growth of garnet upon biotite is allowed by distortion of the pseudohexagonal basal oxygen ring structure on (001) biotite surfaces, and that distortion is driven by introduction of missing ions. Our data further suggest that the spatial distribution of precursor phases influences the distribution patterns of garnet within mica schists. [source] On the electrostatic equilibrium of granular flow in pneumatic conveying systemsAICHE JOURNAL, Issue 11 2006Jun Yao Abstract An analytical methodology involving the concept of "electrostatic equilibrium" is developed for granular flow in pneumatic conveying systems. The methodology can be used for estimation of the electrostatic field distribution at various sections of the system and explanation of the mechanisms involved for various electrostatic phenomena observed. For all cases conducted in the conveying system, there was a "charging time" required for the system to reach the state of "electrostatic equilibrium." Experiments conducted at different sections of the system showed that the time required increased in the order: horizontal pipe, vertical pipe, and pipe bend. Through a physical analysis, it is deduced that electrostatic equilibrium is related to the granules' behavior and local flow characteristics. In general, a longer time duration taken to reach equilibrium corresponds to a process with more complicated granular flow patterns. In the electrostatic equilibrium state, the field distribution shows the highest electrostatic field strength near the pipe wall, and this field strength degrades from the pipe wall to the pipe center. At various pipe sections, the highest strength occurs at the bend, in accord with observations that electric sparking first occurs at that location within the entire pneumatic conveying system. In the vertical pipe, granular distribution was measured using electrical capacitance tomography (ECT), and granular velocities were cross-referenced with those using particle image velocimetry (PIV). The electrostatic force at low air flow rates is found to be the primary cause for granules sticking to the pipe wall and results in the formation of the half-ring or ring structure. The state of electrostatic equilibrium is physically influenced by several elements in conveying systems. In a cyclic conveying system, a new pipe (or low humidity or no antistatic agent) tends to expedite the process to reach electrostatic equilibrium and attain high magnitude of electrostatic current at the state. In a non-cyclic horizontal conveying system, a thin film (pipe) is found to prolong the process duration to reach equilibrium, while the case with charged film (pipe) takes shorter duration to do so. © 2006 American Institute of Chemical Engineers AIChE J, 2006 [source] Mapping the characteristics of the radical ring-opening polymerization of a cyclic ketene acetal towards the creation of a functionalized polyesterJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 18 2009Peter Plikk Abstract Radical ring-opening polymerization of cyclic ketene acetals is a means to achieve novel types of aliphatic polyesters. 2-methylene-1,3-dioxe-5-pene is a seven-membered cyclic ketene acetal containing an unsaturation in the 5-position in the ring structure. The double bond functionality enables further reactions subsequent to polymerization. The monomer 2-methylene-1,3-dioxe-5-pene was synthesized and polymerized in bulk by free radical polymerization at different temperatures, to determine the structure of the products and propose a reaction mechanism. The reaction mechanism is dependent on the reaction temperature. At higher temperatures, ring-opening takes place to a great extent followed by a new cyclization process to form the stable five-membered cyclic ester 3-vinyl-1,4-butyrolactone as the main reaction product. Thereby, propagation is suppressed and only small amounts of other oligomeric products are formed. At lower temperatures, the cyclic ester formation is reduced and oligomeric products containing both ring-opened and ring-retained repeating units are produced at higher yield. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 4587,4601, 2009 [source] Cyclopolymerization of perfluoroisopropenyl vinylacetateJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 10 2006Hirotada Fujiwara Abstract To develop the polymerization exploiting the interconversion of fluorinated carbon radical to hydrocarbon radical, the radical cyclopolymerization of perfluoroisopropenyl vinylacetate [CF2C(CF3)OCOCH2CHCH2] (FIA) was investigated to afford a polymer possessing mainly five-membered ring structure with bimodal molecular weight distribution having 1 × 105 as the higher molecular weight. This may be the first example wherein the cyclopolymerization between usual allyl group and fluorinated vinyl group is performed. The degree of cyclization was between 70 and 80% determined by 19F NMR of as-polymerized products. The polymer preparation from perfluoroisopropenyl group, which shows scarce homopolymerization reactivity was accomplished. The mechanism that the addition of hydrocarbon radical to perfluoroisopropenyl group to produce fluorinated carbon radical followed by the intramolecular addition reaction onto allyl group to form five-membered ring is proposed. The hydrolysis of the FIA polymer afforded a polymer possessing hydrophobic fluoroalkyl group with hydrophilic hydroxyl and carboxylic acid groups. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3220,3232, 2006 [source] Fluorescent polymer particles by emulsion and miniemulsion polymerizationJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 6 2003Frédéric Tronc Abstract We describe the synthesis and characterization of latex particles labeled with a brightly fluorescent yellow dye (HY) based on the benzothioxanthene ring structure. Three dye derivatives were synthesized with different spacers connecting the HY nucleus to a methacrylate group. For one of the dyes (HY2CMA, rA), we show that the reactivity ratios with styrene (rA = 0.71, rB = 0.25) and butyl methacrylate (rA = 0.87, rB = 0.14) should lead to random dye incorporation if the amount of dye in the feed is small. Seeded emulsion polymerization fails to lead to significant dye incorporation unless large amounts of nonionic surfactant are present. In contrast, miniemulsion polymerization worked well to yield latex particles of polystyrene, poly(butyl methacrylate), and poly(methyl methacrylate) with high monomer conversion and essentially quantitative dye incorporation. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 766,778, 2003 [source] DOP-tunable semiconductor fiber ring laserMICROWAVE AND OPTICAL TECHNOLOGY LETTERS, Issue 7 2009Nian Fang Abstract A novel laser with tunable and stable degree of polarization (DOP) is introduced. It consists of a polarization beam splitter (PBS) and a bidirectional semiconductor fiber ring, which is composed of a semiconductor optical amplifier (SOA), a polarization controller (PC) and a 2 × 2 wideband fiber coupler. By adjusting the PC or the injected current of the SOA, the time averaged DOP of the laser output varies optionally from 0.16 to 99%. Employing the bidirectional ring structure and PBS polarization combination method, DOP of the laser can be kept stable at any level in that range. © 2009 Wiley Periodicals, Inc. Microwave Opt Technol Lett 51: 1669,1671, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.24403 [source] A 26,38 GHz millimeter-wave band APDP sub-harmonic mixerMICROWAVE AND OPTICAL TECHNOLOGY LETTERS, Issue 8 2008Shu-Jenn Yu Abstract A 26,38 GHz millimeter-wave (MMW) band sub-harmonic mixer has been designed using a 0.15-,m GaAs pseudomorphic high-electron-mobility transistor (pHEMT) technology. The anti-parallel diode pair (APDP) configuration as the basic unit in this sub-harmonic mixer design to suppress the fundamental frequency signals is used. The radio-frequency (RF) and the local oscillator (LO) signals are imported by two Lange couplers in the proposed design, with four pairs of APDPs connected in a ring structure. Superior RF/LO-to-IF (intermediate-frequency) and 2LO-to-RF/IF isolations have been achieved. The sub-harmonic mixer circuit has also exhibited excellent conversion loss of 13.7 dB with LO power of 13 dBm. © 2008 Wiley Periodicals, Inc. Microwave Opt Technol Lett 50: 2135,2138, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/mop.23595 [source] The ClpX chaperone modulates assembly of the tubulin-like protein FtsZMOLECULAR MICROBIOLOGY, Issue 1 2005Richard B. Weart Summary Assembly of the tubulin-like cytoskeletal protein FtsZ into a ring structure establishes the location of the nascent division site in prokaryotes. Factors that modulate FtsZ assembly are essential for ensuring the precise spatial and temporal regulation of cytokinesis. We have identified ClpX, the substrate recognition subunit of the ClpXP protease, as an inhibitor of FtsZ assembly in Bacillus subtilis. Genetic data indicate that ClpX but not ClpP inhibits FtsZ-ring formation in vivo. In vitro, ClpX inhibits FtsZ assembly in a ClpP-independent manner through a mechanism that does not require ATP hydrolysis. Together our data support a model in which ClpX helps maintain the cytoplasmic pool of unassembled FtsZ that is required for the dynamic nature of the cytokinetic ring. ClpX is conserved throughout bacteria and has been shown to interact directly with FtsZ in Escherichia coli. Thus, we speculate that ClpX functions as a general regulator of FtsZ assembly and cell division in a wide variety of bacteria. [source] FtsQ, FtsL and FtsI require FtsK, but not FtsN, for co-localization with FtsZ during Escherichia coli cell divisionMOLECULAR MICROBIOLOGY, Issue 2 2001Joseph C. Chen During cell division in Gram-negative bacteria, the cell envelope invaginates and constricts at the septum, eventually severing the cell into two compartments, and separating the replicated genetic materials. In Escherichia coli, at least nine essential gene products participate directly in septum formation: FtsA, FtsI, FtsL, FtsK, FtsN, FtsQ, FtsW, FtsZ and ZipA. All nine proteins have been localized to the septal ring, an equatorial ring structure at the division site. We used translational fusions to green fluorescent protein (GFP) to demonstrate that FtsQ, FtsL and FtsI localize to potential division sites in filamentous cells depleted of FtsN, but not in those depleted of FtsK. We also constructed translational fusions of FtsZ, FtsA, FtsQ, FtsL and FtsI to enhanced cyan or yellow fluorescent protein (ECFP or EYFP respectively), GFP variants with different fluorescence spectra. Examination of cells expressing different combinations of the fusions indicated that FtsA, FtsQ, FtsL and FtsI co-localize with FtsZ in filaments depleted of FtsN. These localization results support the model that E. coli cell division proteins assemble sequentially as a multimeric complex at the division site: first FtsZ, then FtsA and ZipA independently of each other, followed successively by FtsK, FtsQ, FtsL, FtsW, FtsI and FtsN. [source] Temperature dependence of the photoluminescence of single GaAs/AlGaAs concentric quantum ring structurePHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 11 2006M. Bonfanti Abstract We present the temperature dependence of the photoluminescence emission of single concentric quantum rings. The two rings which form the nanostructure show a decoupled recombination kinetics in the whole temperature range. The emission is characterized by a doublet. The emission linewidth, which is already larger than 1 meV at low temperatures and increases as the temperature raises, is dominated by the thermal activation of carriers to higher excited states. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Deposition of Plasma-Polymerized 1-Cyanoisoquinoline Thin Films and Their Dielectric PropertiesPLASMA PROCESSES AND POLYMERS, Issue 9 2007Xiong-Yan Zhao Abstract A novel plasma-polymerized 1-cyanoisoquinoline (PPCIQ) thin film of desired thickness was prepared by plasma polymerization under different glow discharge conditions. The effect of the discharge power on the chemical structure, surface composition and morphology of the PPCIQ thin films were investigated by Fourier Transform Infrared (FTIR) Spectroscopy, X-ray Photoelectron Spectroscopy (XPS), Atomic Force Microscopy (AFM) and deposition rate measurements. A high retention of the aromatic ring structure of the starting monomer in the deposited plasma films is obtained at a low discharge power of 15 W. The plasma-synthesized films are homogeneous and quite suitable for the measurement of dielectric properties. The dielectric measurements show that a low dielectric constant of 2.62 has been obtained for the PPCIQ thin films for the first time. [source] The hydrodynamic and conformational properties of denatured proteins in dilute solutionsPROTEIN SCIENCE, Issue 1 2010Guy C. Berry Abstract Published data on the characterization of unfolded proteins in dilute solutions in aqueous guanidine hydrochloride are analyzed to show that the data are not fit by either the random flight or wormlike chain models for linear chains. The analysis includes data on the intrinsic viscosity, root-mean-square radius of gyration, from small-angle X-ray scattering, and hydrodynamic radius, from the translational diffusion coefficient. It is concluded that residual structure consistent with that deduced from nuclear magnetic resonance on these solutions can explain the dilute solution results in a consistent manner through the presence of ring structures, which otherwise have an essentially flexible coil conformation. The ring structures could be in a state of continual flux and rearrangement. Calculation of the radius of gyration for the random-flight model gives a similar reduction of this measure for chains joined at their endpoints, or those containing loop with two dangling ends, each one-fourth the total length of the chain. This relative insensitivity to the details of the ring structure is taken to support the behavior observed across a range of proteins. [source] Proton affinity of proline and modified prolines using the kinetic method: role of the conformation investigated by ab initio calculationsRAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 14 2003S. Mezzache The proton affinities of proline, cis -3-methylproline and cis -3-ethylproline have been measured by the kinetic method using an ion trap instrument; the values obtained are 936, 940.5, and 943,kJ,mol,1, respectively. The experimental values are consistent with those obtained by high-level ab initio calculations (B3LYP/6,31+G*//B3LYP/6,31G* and B3P86/6,31+G*//B3LYP/6,31G*). Several conformations of neutral and protonated proline were considered, in particular the endo and exo ring structure and the position of the carboxyl group. These results show the importance of the position of the hydrogen atom of the carboxyl group in determining the most stable protonated proline structure. Copyright © 2003 John Wiley & Sons, Ltd. [source] X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collectionACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2001Rex A. Palmer The structure of the crown ether 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol, C24H30O6·H2O (1), code name P326, the parent compound for a series of derivatives, has been determined by both X-ray diffraction at room temperature and neutron diffraction at very low temperature. The unit cells are very similar at both temperatures and in both cases the crystals exhibit P21 symmetry with Z = 4 (two molecules, A and B, respectively, per asymmetric unit) and pseudosymmetry P21/c. The higher symmetry is broken mainly by the two independent water molecules in the unit cell, some reflections which would be absent in P21/c having strong intensities in both the X-ray and neutron data. In both molecules A and B hydrogen bonds involving the water molecule stabilize the macrocyclic ring structure, one involving the macrocyclic O(9) as a donor. Close contacts between the water and macrocyclic O atoms in each molecule also suggest the presence of two bifurcated hydrogen bonds, involving water HW2 to both O(16) and O(18), and water HW1 to both O(18) and O(20), respectively, with considerable variation in the geometry being present. Both molecules A and B exhibit very close pseudosymmetry across a plane perpendicular to the molecular plane and through atoms C(9) and O(18), and in addition are predominantly planar structures. The X-ray analysis failed to reveal one H atom per water molecule, each being subsequently included after location and refinement in the neutron analysis. [source] Expression, crystallization and preliminary crystallographic analysis of RNA-binding protein Hfq (YmaH) from Bacillus subtilis in complex with an RNA aptamerACTA CRYSTALLOGRAPHICA SECTION F (ELECTRONIC), Issue 5 2010Seiki Baba The Hfq protein is a hexameric RNA-binding protein which regulates gene expression by binding to RNA under the influence of diverse environmental stresses. Its ring structure binds various types of RNA, including mRNA and sRNA. RNA-bound structures of Hfq from Escherichia coli and Staphylococcus aureus have been revealed to have poly(A) RNA at the distal site and U-rich RNA at the proximal site, respectively. Here, crystals of a complex of the Bacillus subtilis Hfq protein with an A/G-repeat 7-mer RNA (Hfq,RNA) that were prepared using the hanging-drop vapour-diffusion technique are reported. The type 1 Hfq,RNA crystals belonged to space group I422, with unit-cell parameters a = b = 123.70, c = 119.13,Å, while the type 2 Hfq,RNA crystals belonged to space group F222, with unit-cell parameters a = 91.92, b = 92.50, c = 114.92,Å. Diffraction data were collected to a resolution of 2.20,Å from both crystal forms. The hexameric structure of the Hfq protein was clearly shown by self-rotation analysis. [source] Synthesis of 9,9-Dialkyl-4,5-diazafluorene Derivatives and Their Structure,Activity Relationships Toward Human Carcinoma Cell LinesCHEMMEDCHEM, Issue 4 2010Qiwei Wang Abstract A homologous set of 9,9-dialkyl-4,5-diazafluorene compounds were prepared by alkylation of 4,5-diazafluorene with the appropriate alkyl bromide and under basic conditions. The structures of these simple organic compounds were confirmed by spectroscopic techniques (FTIR, NMR, and FABMS). Their biological effects toward a panel of human carcinoma cells, including Hep3B hepatocellular carcinoma, MDAMB-231 breast carcinoma, and SKHep-1 hepatoma cells, were investigated; a structure,activity correlation was established with respect to the length of the alkyl chain and the fluorene ring structure. The relationship between the mean potency [log(1/IC50)] and alkyl chain length was systematically studied. The results show that compounds with butyl, hexyl, and octyl chains exhibit good growth inhibitory effects toward these three human carcinoma cell lines, and the 9,9-dihexyl-4,5-diazafluorene further exhibits antitumor activity in athymic nude mice Hep3B xenograft models. For the structurally related dialkylfluorenes that lack the diaza functionality, in,vitro cytotoxicity was not observed at clinically relevant concentrations. [source] Highly Potent Naphthofuran-Based Retinoic Acid Receptor AgonistsCHEMMEDCHEM, Issue 5 2009Efrén, Pérez Santín Dr. Abstract A series of arotinoids with a central benzofuran or naphthofuran ring structure were synthesized by an efficient three-step process. Most of these 3-substituted naphthofuran arotinoids are potent agonists of the retinoic acid receptor (RAR) subtypes, with activities in the nanomolar range. A collection of arotinoids with a central benzofuran or naphthofuran ring structure was efficiently synthesized by a three-step process that comprises a Sonogashira coupling, an iodine-induced 5- endo -dig cyclization of the o -methoxyphenyl- or naphthyl-ethynyl benzoates, and finally a Suzuki/Sonogashira coupling of the corresponding 3-iodobenzo- or naphthofurans. Most of these 3-substituted naphthofuran arotinoids (but not the 5,7-di- tert -butylbenzofurans with the same substitution pattern at the C2 and C3 positions) are potent agonists of the retinoic acid receptor (RAR) subtypes, with activities in the nanomolar range. [source] Theoretical Studies on the Isomerizations of CH3NO2CHINESE JOURNAL OF CHEMISTRY, Issue 6 2009Lijuan YANG Abstract The isomerizations of CH3NO2 (NM) have been investigated by density function theory (DFT) and electron density topological analysis methods. Nine isomers and eight isomerization channels were found. The connection relationship between the transition state (TS) and the isomers was confirmed by intrinsic reaction coordinate (IRC) tracing calculation. The calculation results show that in the CH3NO2,CH3ONOt process, the TS is a tight one (CH3NO2 does not break into CH3 and NO2 throughout the reaction), which is consistent with Arenass' results. A long structure transition region, which contains a four-numbered ring , a five-numbered ring , a four-numbered ring , a five-numbered ring structure, exists in CH3NOOc,CH2NOOH process. And it is the first time that a five-numbered ring TS was found in reaction. [source] Study on Synthesis of Thebaine DerivativesCHINESE JOURNAL OF CHEMISTRY, Issue 12 2005He Liu Abstract The reaction of 7, -acetyl-6,14-endoethano-6,7,8,14-tetrahydrothebaine with 2-(thien-2-yl)ethylmagnesium bromide was investigated. The tertiary alcohol derivative 7, -[R-1-hydroxyl-1-methyl-3-(thien-2-yl)propyl])-6,14-endoethano-6,7,8,14-tetrahydrothebaine (3) and a by-product 4 were isolated. The structure of 4 was elucidated by X-ray analysis. The Grignard reaction shows high degree of stereoselectivity according with Cram rule. The crystal structure of 4 indicates that dihydrofuran ring was opened to form a phenolic hydroxyl group and a three-membered ring structure. It maintains the main rigid structure of morphine and contains a C(6)-C(14) enthano bridge. The 1-hydroxyl-1-methyl-3-(thien-2-yl)propyl group at C(7) position adopted S -configuration. [source] | |||||||||||||||||||||||||||||||