Near infrared long lasting emission of Yb3+ and its influence on the optical storage ability of Mn2+-activated zinc borosilicate glasses

The near infrared long lasting phosphorescence of Yb3+ is observed in Yb3+ and Mn2+ codoped zinc borosilicate glasses. Compared with the glasses solely activated by Mn2+, when the Yb3+ ion is codoped, the red long lasting phosphorescence of the samples is largely improved in both brightness and persistent time but the photostimulated long lasting phosphorescence is greatly depressed. It is considered that the appearance of the phosphorescence of Yb3+ is due to the alteration of the energy transfer channel; additionally, Yb3+ also changes the trap depth of the glasses with the shallower trap predominating therefrom the red long lasting phosphorescence is improved and the photostimulated long lasting phosphorescence is degraded.

Near infrared light-emitting diodes based on composites of near infrared dye, CdSe/CdS quantum dots and polymer

Near infrared (NIR) light emitting diodes employing composites of an IR fluorescent dye, CdSe/CdScore/shell semiconductor quantum dots and poly( N-vinylcarbazole) (PVK) have been demonstrated. The device, with a configuration of indium-tin-oxide (ITO)//PEDOT:PSS//PVK:NIR Dye:CdSe/CdS//Al, had a turn-on voltage of 7 V, emitted the NIR light with a maximum at 890 nm and the irradiance intensity of 96 mu W. The electroluminescence efficiency of 0.02% was achieved at a current density of 13 mA cm(-2).

Organic photovoltaic cells with near infrared absorption spectrum

Organic photovoltaic cells with a strong absorption spectrum in the near infrared region were fabricated with the structure of indium tin oxide (ITO)/zinc phthalocynine (ZnPc)/lead phthalocynine (PbPc)/C-60/Al. PbPc has a broad and strong absorption, while the organic films of PbPc/C-60 showed an additional new absorption peak at 900 nm. The absorption in the near infrared region can harvest more photons to invert into photocurrent. Moreover, the introduction of ZnPc thin layer between ITO and PbPc further improved the new absorption peak and the collection of hole carriers at the electrode ITO, which increased the power conversion efficiencies to 1.95% and short-circuit current density to 9.1 mA/cm(2) under AM 1.5 solar spectrum.

Structural diversity of lanthanide-amino acid complexes under near physiological pH conditions and their recognition of single-stranded DNA

We reported here four structures of lanthanide-amino acid complexes obtained under near physiological pH conditions and their individual formula can be described as [Tb-2(DL-Cys)(4)(H2O)(8)]Cl-2 (1), [Eu-4(mu(3)-OH)(4)(L-Asp)(2)(L-HAsp)(3)(H2O)(7)] Cl center dot 11.5H(2)O (2), [Eu-8-(L-HVal) (16)(H2O)(32)]Cl-24 center dot 12.5H(2)O (3), and [Tb-2(DL-HVal)(4)(H2O)(8)]Cl-6 center dot 2H(2)O (4). These complexes showed diverse structures and have shown potential application in DNA detection. We studied the interactions of the complexes with five single-stranded DNA and found different fluorescence enhancement, binding affinity and binding stoichiometry when the complexes are bound to DNA.

Covalent linking of near-infrared luminescent ternary lanthanide (Er3+, Nd3+, Yb3+) complexes on functionalized mesoporous MCM-41 and SBA-15

The near-infrared (NIR) luminescent lanthanide ions, such as Er(III), Nd(III), and Yb(III), have been paid much attention for the potential use in the optical communications or laser systems. For the first time, the NIR-luminescent Ln(dbm)(3)phen complexes have been covalently bonded to the ordered mesoporous materials MCM-41 and SBA-15 via a functionalized phen group phen-Si (phen-Si = 5-(N,N-bis-3-(triethoxysilyl)propyl)ureyl-1,10-phenanthroline; dbm = dibenzoylmethanate; Ln = Er, Nd, Yb). The synthesis parameters X = 12 and Y = 6 h (X denotes Ln(dbM)(3)(H2O)(2)/phen-MCM-41 molar ratio or Ln(dbM)(3)(H2O)(2)/phenSBA-15 molar ratio and Y is the reaction time for the ligand exchange reaction; phen-MCM-41 and phenSBA-15 are phen-functionalized MCM-41 and SBA-15 mesoporous materials, respectively) were selected through a systematic and comparative study. The derivative materials, denoted as Ln(dbM)(3)phen-MCM-41 and Ln(dbm)(3)phen-SBA-15 (Ln = Er, Nd, Yb), were characterized by powder X-ray diffraction, nitrogen adsorption/desorption, Fourier transform infrared (FT-IR), elemental analysis, and fluorescence spectra. Upon excitation of the ligands absorption bands, all these materials show the characteristic NIR luminescence of the corresponding lanthanide ions through the intramolecular energy transfer from the ligands to the lanthanide ions.

Syntheses, structures and near-IR luminescent studies on ternary lanthanide (Er-III, Ho-III, Yb-III, Nd-III) complexes containing 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)hexane-1,3-dionate

The ligand Hhfth [4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)hexane-1,3-dione], which contains a heptafluoropropyl group, has been used to synthesize several new ternary lanthanide complexes (Ln = Er, Ho, Yb, Nd) in which the synergistic ligand is 1,10-phenanthroline (phen) or 2,2'-bipyridine (bipy). The two series of complexes are [Ln(hfth)(3)phen] [abbreviated as (Ln)1, where Ln = Er, Ho, Yb] and [Ln(hfth)(3)bipy] [abbreviated as (Ln)2, where Ln = Er, Ho, Yb, Nd]. Members of the two series have been structurally characterized. The growth morphology, diffuse reflectance (DR) spectra, thermogravimetric analyses, and photophysical studies of these complexes are described in detail. After ligand-mediated excitation of the complexes, they all show the characteristic near-infrared (NIR) luminescence of the corresponding Ln(3+) ions (Ln = Er, Ho, Yb, Nd). This is attributed to efficient energy transfer from the ligands to the central Ln(3+) ions, i.e. an antenna effect. The heptafluorinated substituent in the main hfth sensitizer serves to reduce the degree of vibrational quenching. With these NIR-luminescent lanthanide complexes, the luminescent spectral region from 1300 to 1600 nm, which is of particular interest for telecommunication applications, can be covered completely.

Determination of ethenzamide and acetoaminophen in quaternary powdered samples by near infrared spectroscopy and searching combination moving window partial least squares algorithm: effects of spectral resolution and signal-to-noise ratio

The present study reports an application of the searching combination moving window partial least squares (SCMWPLS) algorithm to the determination of ethenzamide and acetoaminophen in quaternary powdered samples by near infrared (NIR) spectroscopy. Another purpose of the study was to examine the instrumentation effects of spectral resolution and signal-to-noise ratio of the Buchi NIRLab N-200 FT-NIR spectrometer equipped with an InGaAs detector. The informative spectral intervals of NIR spectra of a series of quaternary powdered mixture samples were first located for ethenzamide and acetoaminophen by use of moving window partial least squares regression (MWPLSR). Then, these located spectral intervals were further optimised by SCMWPLS for subsequent partial least squares (PLS) model development. The improved results are attributed to both the less complex PLS models and to higher accuracy of predicted concentrations of ethenzamide and acetoaminophen in the optimised informative spectral intervals that are featured by NIR bands. At the same time, SCMWPLS is also demonstrated as a viable route for wavelength selection.

Comblike polymer electrolyte with main chain glass transition near room temperature

A new amorphous comblike polymer (CBP) based on methylvinyl ether/maleic anhydride altering copolymer backbone and on oligooxyethylene side chain was synthesized. The dynamic mechanical properties of CBP and its Li salt complexes were investigated by means of DDV-11-EA type viscoelastic spectrometry. Results showed that there were two glass transitions (alpha-transition and beta-transition) in the temperature range from -100 to 100 degrees C. The beta-transition was assigned to oligo-PEO side chains and the temperature of beta-transition increases with increasing Li salt content. The alpha-transition was assigned to the main chain of CBP. The temperature of the alpha-transition (T-alpha) is also dependent upon the Li-salt content, but not monotonic. The value of T-alpha lies between 30-45 degrees C in the Li salt concentration range studied, near room temperature. It was found that the CBP-Li salt complexes showed an unusual dependence of ionic conductivity on Li salt content. There are two peaks in the plot of the ionic conductivity vs. Li salt concentration, which has been ascribed to the movability of the CBP main chain at ambient temperature. The temperature dependence bf the ionic conductivity indicated that the Arrhenius relationship was not obeyed, and the plot of log sigma against 1/(T - T-0) showed the unusual dual VTF behavior when using side chain glass transition temperature (T-beta) as T-0.

Consensus scoring for enriching near-native structures from protein-protein docking decoys

The identification of near native protein-protein complexes among a set of decoys remains highly challenging. A stategy for improving the success rate of near native detection is to enrich near native docking decoys in a small number of top ranked decoys. Recently, we found that a combination of three scoring functions (energy, conservation, and interface propensity) can predict the location of binding interface regions with reasonable accuracy. Here, these three scoring functions are modified and combined into a consensus scoring function called ENDES for enriching near native docking decoys. We found that all individual scores result in enrichment for the majority of 28 targets in ZDOCK2.3 decoy set and the 22 targets in Benchmark 2.0. Among the three scores, the interface propensity score yields the highest enrichment in both sets of protein complexes. When these scores are combined into the ENDES consensus score, a significant increase in enrichment of near-native structures is found. For example, when 2000 dock decoys are reduced to 200 decoys by ENDES, the fraction of near-native structures in docking decoys increases by a factor of about six in average. ENDES was implemented into a computer program that is available for download at http://sparks.informatics.iupui.edu.

Refining near-native protein-protein docking decoys by local resampling and energy minimization

How to refine a near-native structure to make it closer to its native conformation is an unsolved problem in protein-structure and protein-protein complex-structure prediction. In this article, we first test several scoring functions for selecting locally resampled near-native protein-protein docking conformations and then propose a computationally efficient protocol for structure refinement via local resampling and energy minimization. The proposed method employs a statistical energy function based on a Distance-scaled Ideal-gas REference state (DFIRE) as an initial filter and an empirical energy function EMPIRE (EMpirical Protein-InteRaction Energy) for optimization and re-ranking. Significant improvement of final top-1 ranked structures over initial near-native structures is observed in the ZDOCK 2.3 decoy set for Benchmark 1.0 (74% whose global rmsd reduced by 0.5 angstrom or more and only 7% increased by 0.5 angstrom or more). Less significant improvement is observed for Benchmark 2.0 (38% versus 33%). Possible reasons are discussed.

Mineral provinces and material provenance of the surficial sediments near the Zhongsha Islands in the South China Sea

Characteristics and distribution patterns of elastic minerals (0.063 similar to 0.125 mm) in bottom sediments represent a significant indicator for the identification of the origin of sediment. One hundred and fourteen surface sediment samples, which were collected from the area near the Zhongsha Islands in the South China Sea, were analysed to identify the mineral suites and their distributions in the study area. The area can be divided into three mineral provinces: ( I) a province of biogenic minerals, which mainly originate from the Zhongsha Atoll; ( H) a province of volcanogenic minerals, which are mainly derived from local basaltic seamounts and small-scale volcanoes that are probably erupting, with some influences from the island-are volcanic region around the South China Sea; and (II) a mixed mineral province whose material source includes biogenic minerals, volcanogenic minerals and terrigenous minerals; the last province can be subdivided into a mixed mineral sub-province of the northeastern part of the study area, in which terrigenous minerals are mainly derived from China's Mainland and do not exceed 17 degrees N, and a mixed mineral sub-province of the southeastern part of the study area, in which terrigenous minerals are derived from Kalimantan and Indochina Peninsula and might be further transported into the deep sea basin through submarine canyons.

Formation of Fe-oxyhydroxides from the East Pacific Rise near latitude 13 degrees N: Evidence from mineralogical and geochemical data

The mineralogical and geochemical characteristics of Fe-oxyhydroxide samples from one dredge station (long. 103 degrees 54.48'W, lat. 12 degrees 42.30'N, water depth 2655 m) on the East Pacific Rise near lat 13 degrees N were analyzed by XRD, ICP-AES, and ICP-MS. Most Fe-oxyhydroxides are amorphous, with a few sphalerite microlites. In comparison with Fe-oxyhydroxides from other fields, the variable ranges in the chemical composition of Fe-oxyhydroxide samples are very narrow; their Fe, Si, and Mn contents were 39.90%, 8.92%, and 1.59%, respectively; they have high Cu (0.88%-1.85%) and Co (65x10(-6)-704x10(-6)) contents, and contain Co+Cu+Zn+Ni > 1.01%. The trace-element (As, Co, Ni, Cu, Zn, Ba, Sr) and major-element (Fe, Ca, Al, Mg) contents of these samples are in the range of hydrothermal sulfide from the East Pacific Rise near 13 degrees N, reflecting that this type of Fe-oxyhydroxide constitutes a secondary oxidation product of hydrothermal sulfide. The Fe-oxyhydroxide samples from one dredge station on the East Pacific Rise near 13 degrees N are lower in Sigma REE (5.44x10(-6)-17.01x10(-6)), with a distinct negative Ce anomaly (0.12-0.28). The Fe-oxyhydroxide samples have similar chondrite-normalized rare-earth-element (REE) patterns to that of seawater, and they are very different from the REE composition characteristics of hydrothermal plume particles and hydrothermal fluids, showing that the REEs of Fe-oxyhydroxide are a major constituent of seawater and that the Fe-oxyhydroxides can become a sink of REE from seawater. The quick settling of hydrothermal plume particles resulted in the lower REE content and higher Mn content of these Fe-oxyhydroxides, which are captured in part of the V and P from seawater by adsorption. The Fe-oxyhydroxides from one dredge station on the East Pacific Rise near 13 degrees N were formed by secondary oxidation in a low temperature, oxygenated environment. In comparison with the elemental (Zn, Cd, Pb, Fe, Co, Cu) average content of hydrothermal sulfide samples from the East Pacific Rise near 13 degrees N, the Zn, Cd, and Pb contents of the Fe-oxyhydroxides are lower, and their Fe, Co, and Cu contents are higher.

Periodical mixing of MORB magmas near East Pacific Rise 13N: evidence from modeling and zoned plagioclase phenocrysts

Thirty-six basalt samples from near East Pacific Rise 13N are analyzed for major and trace elements. Different types of zoned plagioclase phenocrysts in basalts are also backscatter imaged, and major element profiles scanned and analyzed for microprobe. Basalts dredged from a restricted area have evolved to different extents (MgO=9.38wt%-6.76wt%). High MgO basalts are modeled for crystallization to MgO of about 7wt%, and resulted in the Ni contents (28 ppm) that are generally lower than that in observed basalts (> 60 ppm). It suggests that low MgO basalts may have experienced more intensive magma mixing. High MgO (9.38wt%) basalt is modeled for self-"mixing-crystallization", and the high Ni contents in low MgO basalts can be generated in small scale and periodical self-mixing of new magma (high MgO). "Mixing-crystallization" processes that low MgO magmas experienced accord with recent 226Ra/230Th disequilibria studies for magma residence time, in which low MgO magmas have experienced more circles of "mixing-crystallization" in relatively longer residence time. Magma mixing is not homogeneous in magma chamber, however, low MgO magmas are closer to stable composition produced by periodical "mixing-crystallization", which is also an important reason for magma diversity in East Pacific Rise. Zoned plagioclase phenocrysts can be divided into two types: with and without high An# cores, both of which have multiple reversed An# zones, suggesting periodical mixing of their host magmas. Cores of zoned plagioclase in low MgO (7.45wt%) basalt differ significantly with their mantle in An#, but are similar in An# with microlite cores (products of equilibrium crystallization) in high MgO (9.38wt%) basalt, which further shows that plagioclase phenocryst cores in low MgO basalts may have formed in their parental magmas before entering into the magma chamber.

Distribution and mobility of metals in agricultural soils near a copper smelter in South China

The distribution and mobility of heavy metals in the paddy soils surrounding a copper smelting plant in south China was investigated. We assessed the degree of metal contamination using an index of geoaccumulation. The metals were divided into two groups: (1) Cu, Zn, Pb and Cd, whose concentrations were heavily affected by anthropogenic inputs, and (2) Ni, Co and Cr, which were mainly of geochemical origin. Concentrations of Cu, Cd, Zn, and Pb in the polluted soils were higher than the Chinese soil quality criteria. The chemical partitioning patterns of Pb, Zn and Cu indicated that Pb was largely associated with the residual and NH2OH HCl extractable fractions. In contrast, Cd was predominantly associated with the MgCl2 extractable fraction. A large proportion of Cu was bound to the acidic H2O2 extractable fractions, while Zn was predominantly found in the residual phase. The fraction of mobile species, which potentially is the most harmful to the environment, was found to be elevated compared to unpolluted soils in which heavy metals are more strongly bound to the matrix. The mobility of the metals was studied by water extraction using a modification of Tessier's procedure, and the order of mobility was Zn > Cd > Cu > Ce > Pb.