Abstract
The electronic and structural properties of pyrrolic ring derivatives were studied using density functional theory (DFT) in terms of their application as organic semiconductor materials in photovoltaic devices. The B3LYP hybrid functional in combination with Pople type 6-31G(d) basis...
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PMID: 21120557
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Abstract
We compared the performance of the PT2 scheme on the two title molecules using SCF, MP2 and DFT (BLYP, B3LYP, PBE and B3PW91 functionals) methods combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) basis sets, Dunning's basis sets (aug)-cc-pVXZ where X = D, T, Q, 5, 6 and Pople's...
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PMID: 21153906
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Martin M Pfannmöller,
Harald H Flügge,
Gerd G Benner,
Irene I Wacker,
Christoph C Sommer,
Michael M Hanselmann,
Stephan S Schmale,
Hans H Schmidt,
Fred A FA Hamprecht,
Torsten T Rabe,
Wolfgang W Kowalsky and
Rasmus R RR Schröder
Abstract
We combine high-resolution spectroscopic imaging using an analytical transmission electron microscope with non-linear multivariate statistical analysis for classification of multispectral image data. We obtain a visual representation showing homogeneous phases of donor and acceptor, connected by a t...
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PMID: 21770452
PDF is available here.
Abstract
We demonstrate that PEMs constructed from CS as the polyanion display a low Young's modulus correlated with poorly supported cell adhesion and proliferation. When the CS was adsorbed onto a stiffer polypeptide PEM basis, the Young's modulus increased, and the cell response was significantly improved...
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PMID: 21491904
PDF is available here.
Abstract
Multidimensional "3D" melting curves for G-quadruplexes are obtained by recording whole spectra (absorbance, CD, fluorescence) as a function of temperature, rather than the common approach of recording the spectral response to temperature at a single wavelength. 3D melting curves are...
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PMID: 21638271
PDF is available here.
Abstract
This work covers the synthesis of second generation, ethylene glycol dendrons covalently linked to a surface anchor that contains two, three or four catechol groups, the molecular assembly in aqueous buffer on titanium oxide surfaces, and the evaluation of the resistance of the monom...
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PMID: 21634791
PDF is available here.
Abstract
We find that the fluctuation spectrum of motions perpendicular to the bilayer can be decomposed into just two parts: 1), a pure undulation spectrum proportional to q(-4) that dominates in the small-q regime; and 2), a molecular density structure factor contribution that dominates in the large-q regi...
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PMID: 21539777
PDF is available here.
Abstract
To study the chemical constituents of Picrasma quassioides. The chemical constituents were isolated and purified by chromatographic methods over Sephadex LH-20 and silica gel column, and structurally elucidated by spectral analysis, including UV, IR, MS, 1H-NMR, 13C-NMR. Fourteen compounds were obtai...
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PMID: 21761728
PDF is available here.
Abstract
This study addresses the oxidation of ammonia (NH3) at temperatures between 423 and 673 K by selective catalytic oxidation (SCO) over a copper-based, rare earth composite metal material that was prepared by coprecipitating copper nitrate, lanthanum nitrate, and cerium nitrate at various molar ratios....
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PMID: 21516940
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Abstract
The present paper deals with a complex spectral and physicochemical evaluation of mono[{3-[4-(2-etoxyetoxy)-benzoyloxy]-2-hydroxypropyl}-isopropylammonium]fumarate, a potential ultrashort acting beta1-blocker. The identity of the substance under study (labelled as UPB-1) was confirmed by 1H- and 13C-...
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PMID: 21650011
PDF is available here.
Abstract
The label-free technique of optofluidic intracavity spectroscopy (OFIS) uses light transmitted through a cellular body in a microfluidic optical resonator to distinguish different types of cells by their optical properties. The OFIS technique has differentiated canine hemangiosarcoma...
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PMID: 20483694
PDF is available here.
Abstract
Interaction of isoquinoline alkaloids berberine, palmatine, coralyne and sanguinarine with human telomeric quadruplex DNA, dAGGG(TTAGGG)(3), has been investigated and compared with ethidium.
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PMID: 21281702
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Abstract
To investigate the chemical constituents from the aerial part of Atractylodes macrocephala.
The constituents were isolated and purified by repeated column chromatography on silica gel, Sephadex LH-20 and ODS. Their structures were identified by physicochemical propert...
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PMID: 21657075
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Abstract
In North America, an estimated 30,000 patients annually experience an aneurysmal subarachnoid hemorrhage (SAH). In approximately five percent of these patients, the hemorrhage is not visible on computerized tomography scans due to the inability to image blood at time intervals greate...
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PMID: 21292590
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Abstract
Coupling a reactive metal to light absorbers affords molecular devices for photoinitiated electron collection and photocatalytic conversion of substrates to fuels. A new Ru(II) ,Pt(II) tetrametallic supramolecule, [{(phen)(2) Ru(dpp)}(2) Ru(dpq)PtCl(2) ](PF(6) )(6) , and the trimetal...
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PMID: 21328554
PDF is available here.
Abstract
A field investigation in Lake Dianchi was carried out in November, 2009, and a dataset including absorption coefficients and concentration of water components was collected. Absorption properties and its spatial distribution of Lake Dianchi have been systematically analyzed, the results show that: (1...
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PMID: 21528567
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Abstract
Backscattering rate is the important factor of above water spectra. A bio-optical model simplified in near-infrared bands was constructed to estimate backscattering rate in Lake Chaohu by using the in-situ data measured in June 2009. The results show that the maximum value of backscattering rate in L...
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PMID: 21528568
PDF is available here.
Abstract
Marine sponge Hymeniacidon sp. was collected from coastal waters of the East China Sea to isolate symbiotic microorganisms. The resulting sponge-associated actinomycete, Streptomyces carnosus strain AZS17, was cultivated in a 20 L volume of medium for production of bioactive secondar...
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PMID: 21556165
PDF is available here.
Abstract
A new acetylenic alkaloid was isolated from the sponge Leucetta sp. The structure was established by analyzing spectroscopic data. The alkaloid showed cytotoxicity IC(50) 2.5 μg/mL against NBT-T2 cells.
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PMID: 21556167
PDF is available here.
Abstract
This chapter contains the description of several methods used for the isolation of functional photosystem II (PS II) core particles from wild type, photosystem I-less, and CP47 histidine-tagged cells of the cyanobacterium Synechocystis sp. PCC 6803. The presented protocols cover cultivation of photo...
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PMID: 20960119
PDF is available here.
Abstract
The cytochrome b6f complex from the filamentous cyanobacteria (Mastigocladus laminosus, Nostoc sp. PCC 7120) and spinach chloroplasts has been purified as a homo-dimer. Electrospray ionization mass spectroscopy showed the monomer to contain eight and nine subunits, respectively, and dimeric masses o...
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PMID: 20960122
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Abstract
Stable, insoluble Langmuir monolayer films composed of Staphylococcus aureus-specific lytic bacteriophage were formed at an air-water interface and characterized. The phage monolayer was very strong, withstanding a surface pressure of ∼40 mN/m at 20 °C. The surface pressure-area (Π-A) isotherm p...
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PMID: 20843668
PDF is available here.
Abstract
We have previously shown that besides its interaction with anionic lipids, the cyt c is also able to cross neutral lipid membranes. In this work, with the help of AFM and punch-through experiments, we have measured the force required to penetrate the membrane in the fluid and in the gel phases with...
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PMID: 20832261
PDF is available here.
Abstract
These results particularly reveal the importance of the proposed modification for the evaluation of low adsorbing substrates and antifouling coatings.
Published by Elsevier B.V....
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PMID: 20833003
PDF is available here.
Abstract
We developed a binary mixing system with two Pluronics, L121/P123, as a nano-sized drug delivery carrier. The lamellar-forming Pluronic L121 (0.1 wt%) was incorporated with Pluronic P123 to produce nano-sized dispersions (in case of 0.1 and 0.5 wt% P123) with high stability due to Pluronic P123 and...
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PMID: 20850281
PDF is available here.
Abstract
We provide a number of examples in which multiple single crystal spectroscopies have been key to understanding the redox status of Fe and Cu centres in crystal structures. This article is part of a Special Issue entitled: Protein Structure and Function in the Crystalline State.
Copyr...
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PMID: 21215826
PDF is available here.
Abstract
We assessed daytime EEG spectral power and P300 evoked potentials. With exception for the digit span, all tests showed lower performances in patient groups. Recall on the AVLT did not differ between the two patient groups, but the digit and symbol spans showed more severe impairment in SAHS patients...
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PMID: 21196050
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Abstract
We observe a novel geminate recombination channel of OH with adjacent hydrated electrons. This channel leads to ultrafast quenching (700 fs) of almost half the initial number of radicals. The fast mechanism displays an isotope effect of 1.4 (for OD(-)(aq) quantum yield 35%, time constant 1.0 ps). Th...
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PMID: 21189010
PDF is available here.
Abstract
We have previously shown that exchanging the residue at position 74 in the large subunit of the oxygen-sensitive [NiFe] hydrogenase from Desulfovibrio fructosovorans could impact the reaction of the enzyme with O(2) ( Dementin , S. ; J. Am. Chem. Soc. 2009 , 131 , 10156 - 10164 ; Liebgott , P. P. ;...
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PMID: 21175174
PDF is available here.
Abstract
Our UV-Vis spectroscopic data show two mechanisms: (i) the conversion of the Fe(3+) to Fe(2+) at the same time as the oxidation of Pb(2+) to Pb(+4) ions for samples with low Fe(2)O(3) contents; (ii) when the Fe(2)O(3) content is high (x ≥ 50 mol%), the Fe(2+) ions capture positive holes and a...
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PMID: 21174135
PDF is available here.
Abstract
Granular activated carbon (GAC) was impregnated with iron through a new multi-step procedure using ferrous chloride as the precursor for removing arsenic from drinking water. Scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) analysis demonstrated that the impregnated...
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PMID: 20846789
PDF is available here.
Abstract
The multi-elemental composition of in vitro--proliferated root tissues of Andrographis paniculata (Burm.f.) Wall. ex Nees was compared with that of the naturally grown in vivo plants. Trace elements namely Cr, Mn, Fe, Co, Ni, Cu, Zn, Se, Rb, Sr and Pb in addition to two macro-elements K and Ca were...
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PMID: 20637644
PDF is available here.
Abstract
We investigated whether the epidural space can be identified with optical spectroscopy, using a custom needle with optical fibers integrated into the cannula.
Insertion of the needle tip into the epidural space was performed with midline and paramedian approaches in a swine. In each insertion, optic...
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PMID: 21068654
PDF is available here.
Abstract
Three different tetraazamacrocyclic ligands containing four amide substituents that feature groups (namely allyl, styryl and propargyl groups) suitable for polymerisation have been synthesised. Gadolinium(III) complexes of these three ligands have been prepared as potential monomers for the synthesi...
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PMID: 20877892
PDF is available here.
Abstract
Heteroleptic copper(I) halide complexes containing the bis[2-(diphenylphosphano)phenyl]ether (DPEphos) ligand and the heterocyclic thioamides pyridine-2(1H)-thione (py2SH), pyrimidine-2(1H)-thione (pymtH) or 4,6-dimethylpyrimidine-2(1H)-thione (dmpymtH) have been synthesized and characterized by (1)...
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PMID: 20922239
PDF is available here.
Abstract
Inorganic-organic cobalt phyllosilicate hybrids were synthesized by the sol-gel procedure under mild non-hydrothermal conditions with a silicon precursor, formed through individual reactions between the silane 3-glycidoxypropyltriethoxysilane and the aminoalcohols ethanol- or diethanolamine. These p...
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PMID: 20922219
PDF is available here.
Abstract
The stable uranyl complexes, [UO(2)(L)C(9)H(19)OH], were obtained from 3,5-dichlorosalicyl-(L(I)) and salicyl-aldehyde-S-propyl-thiosemicarbazones (L(II)) with substituted-salicylaldehyde in nonyl alcohol. The structures of the complexes have been characterized by elemental analysis, IR, (1)H NMR, c...
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PMID: 20922238
PDF is available here.
Abstract
A joint theoretical-experimental investigation has been carried out to unravel the details of the complexation of cations by fluoroionophores based on coumarin 343 and to interpret the modifications in the ligand and also in the coumarin structural, electronic, magnetic, and vibrational properties....
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PMID: 20882231
PDF is available here.
Abstract
The triplet state of positronium, o-Ps, is used as a probe to characterize a starch-20% w/w sucrose matrix as a function of temperature (T). A two-step decomposition (of sucrose, and then starch) starts at 440 K as shown by a decrease in the o-Ps intensity (I(3)) and lifetime (τ(3)), the latter als...
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PMID: 20882224
PDF is available here.
Abstract
Rotational analysis of the (2 + 1) resonance enhanced multiphoton ionization (REMPI) spectrum of the C(1)B(1) Rydberg state of the water isotopomers H(2)O, HOD and D(2)O is reported. Spectroscopic parameters for the v = 0 vibrational level of the C(1)B(1) state of the mixed isotopomer HOD are derive...
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PMID: 20859586
PDF is available here.
Abstract
The complexes uracil-water and thymine-water have been investigated using laser ablation molecular-beam Fourier transform microwave (LA-MBFTMW) spectroscopy. Only one conformer of each complex has been observed. The spectra of the parent and several isotopically enriched species with (15)N at uracil...
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PMID: 20877786
PDF is available here.
Abstract
A transfer of fullerene C(60) to water was achieved by sonication of a two-phase system of water and C(60) in organic solvents, namely, benzene and toluene. Resulting aqueous dispersions were analyzed electrochemically, spectroscopically, by MALDI-MS and AFM methods. Samples prepared from benzene yi...
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PMID: 20859587
PDF is available here.
Abstract
We studied the aqueous photochemistry of 4-chlororesorcinol (1), which combines the conformational properties of both types of derivatives, using nanosecond transient absorption spectroscopy and photoproduct analysis. The absorption spectra obtained upon pulsed laser excitation of 1 showed the occur...
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PMID: 20859579
PDF is available here.
Abstract
Ru(ii) complexes that bring together the properties of the dppz (dipyrido[3,2-a:2',3'-c]phenazine) intercalating residue and the properties of metal-coordinating macrocycles (L = 4,4'-(2,5,8,11,14-pentaaza[15])-2,2'-bipyridilophane) have been synthesised and their protonation and affinity for copper...
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PMID: 20838679
PDF is available here.
Abstract
The aminoglycosidic antibiotic hygromycin B presents a peculiar chemical structure, characterized by two sugar rings joined via a spiro connection. The Cu(ii) complex of hygromycin B in water solution was characterized by (1)H-NMR, UV-Vis, EPR and CD spectroscopy, combined with potentiometric measur...
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PMID: 20838678
PDF is available here.
Abstract
We compare four different types of equations of motion for reduced density matrix of a system of molecular excitons interacting with thermodynamic bath. All four equations are of second order in the linear system-bath interaction Hamiltonian, with different approximations applied in their derivation...
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PMID: 20628777
PDF is available here.
Abstract
We have probed at the single-molecule level the interaction of 1-deoxy-D-xylulose 5-phosphate synthase (DXS), which catalyzes the first step of the MEP pathway, with its two substrates, pyruvate and glyceraldehyde-3-phosphate. The data obtained in this pioneering SMFS analysis of a bisubstrate enzym...
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PMID: 20634351
PDF is available here.
Abstract
Pigment absorption property of two arctic microalgae species (Skeletonema marinoi and Chlorella sp.) cultured at three temperatures (0, 4 and 8°C) was analyzed. Carotenoids and chlorophyll (Chl) c were positive factors to the high cell activities and primary productivities of S. marinoi at 4°C and...
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PMID: 20816707
PDF is available here.
Abstract
The radiation stability of the ionic liquid 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) was investigated after (60)Co γ irradiation at doses up to 600 kGy. Thermal and spectroscopic analysis revealed the formation of a small quantity of radiolytic products and an evident change in the physicoch...
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PMID: 20726704
PDF is available here.
Jordan R Moon,
Jeffrey R Stout,
Abbie E Smith,
Sarah E Tobkin,
Christopher M Lockwood,
Kristina L Kendall,
Jennifer L Graef,
David H Fukuda,
Pablo B Costa,
Matt S Stock,
Kaelin C Young,
Patrick S Tucker,
Eonho Kim,
Trent J Herda,
Ashley A Walter,
Steven L Ferguson,
Vanessa D Sherk and
Joel T Cramer
Abstract
Bioimpedance spectroscopy (BIS) has been used to track changes in total body water (TBW). Accurate TBW estimations can be influenced by both methodological and biological factors. One methodological variation that contributes to BIS TBW errors is the electrode placement. The purpose of the present s...
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PMID: 20619077
PDF is available here.
Megumi Niitsuma,
Junko Hashida,
Masato Iwatsuki,
Mihoko Mori,
Aki Ishiyama,
Miyuki Namatame,
Aki Nishihara-Tsukashima,
Atsuko Matsumoto,
Yoko Takahashi,
Haruki Yamada,
Kazuhiko Otoguro,
Kazuro Shiomi and
Satoshi Omura
Abstract
Two new nucleotide antibiotics, named sinefungin VA and dehydrosinefungin V, were separated by cation exchange column chromatography and purified by HPLC from the culture broth of Streptomyces sp. K05-0178, together with the known antibiotics, sinefungin, dehydrosinefungin and KSA-9342. The structur...
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PMID: 20859291
PDF is available here.
Abstract
Insight into copper-oxygen species proposed as intermediates in oxidation catalysis is provided by the identification of a Cu(II)-superoxide complex supported by a sterically hindered, pyridinedicarboxamide ligand. A tetragonal, end-on superoxide structure is proposed based on DFT calculations and UV...
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PMID: 20977226
PDF is available here.
Abstract
We have revealed, for the first time, that the slight difference between the local structures of amino acid residues at the middle sites, SER45 and THR35 for streptavidin and avidin, respectively, strongly affects the microscopic reaction processes, i.e., the variation governs the type of bond as we...
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PMID: 20725689
PDF is available here.
Abstract
The conformational equilibria of vanillin and ethylvanillin have been investigated in a supersonic jet expansion using rotational spectroscopy. Two conformers have been detected for each molecule, with a dominant O-H···O intramolecular hydrogen bond locking the local conformation of the hydroxyl...
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PMID: 20721403
PDF is available here.
Abstract
Electron transfer reaction of a self-assembled donor-acceptor dyad formed by axial coordination of zinc naphthalocyanine, ZnNc, and subphthalocyanine appended with pyridine coordinating ligand, SubPc(py), was investigated in the present study. The SubPc(Py) : ZnNc self-assembled dyad absorbs the...
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PMID: 20820580
PDF is available here.