| 1. |
- Deng, Yunfeng, et al.
(författare)
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A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives
- 2014
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 140:12, s. 124304-
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Tidskriftsartikel (refereegranskat)abstract
- The core-hole excitation spectra-near-edge x-ray absorption spectroscopy (NEXAFS), x-ray emission spectroscopy (XES), and x-ray photoelectron spectroscopy (XPS) shake-up satellites have been simulated at the level of density functional theory for the azafullerene C59N and its derivatives (C59N)(+), C59HN, (C59N)(2), and C59N-C-60, in which the XPS shake-up satellites were simulated using our developed equivalent core hole Kohn-Sham(ECH-KS) density functional theory approach [B. Gao, Z. Wu, and Y. Luo, J. Chem. Phys. 128, 234704 (2008)] which aims for the study of XPS shake-up satellites of large-scale molecules. Our calculated spectra are generally in good agreement with available experimental results that validates the use of the ECH-KS method in the present work. The nitrogen K-edge NEXAFS, XES, and XPS shake-up satellites spectra in general can be used as fingerprints to distinguish the azafullerene C59N and its different derivatives. Meanwhile, different carbon K-edge spectra could also provide detailed information of (local) electronic structures of different molecules. In particular, a peak (at around 284.5 eV) in the carbon K-edge NEXAFS spectrum of the heterodimer C59N-C-60 is confirmed to be related to the electron transfer from the C59N part to the C-60 part in this charge-transfer complex.
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| 2. |
- Cao, Zhiguo, et al.
(författare)
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Economic status as a determinant of national PCDD/PCDF releases and implications for PCDD/PCDF reduction
- 2013
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Ingår i: Chemosphere. - : Elsevier. - 0045-6535 .- 1879-1298. ; 91:3, s. 328-335
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Tidskriftsartikel (refereegranskat)abstract
- The annual releases of polychlorinated dibenzo-para-dioxins and polychlorinated dibenzofurans (PCDD/PCDF) from 68 countries/regions were investigated by correlating quantitative emissions with economic status of the nations. The national dioxin/furan inventories were developed using the PCDD/PCDF Standardized Toolldt, which presents the quantitative releases from ten major source groups to five release vectors. The correlation between intensity of PCDDIPCDF release and economic status was discussed and the influence of economic status on composition of five release vectors and ten source groups was studied. As PCDD/PCDF are mainly released from human activities to environmental matrices, release per person (RpP) and release per unit area (RpA) are defined to reflect release burden (Donor) and contamination burden (Receptor), respectively. Based on these two concepts, International PCDD/PCDF Reduction Burden is characterized by burden quotient (BQ) and a calculation model is established. The numbers of countries/regions with high, moderate and low International PCDD/PCDF Reduction Burden were 19,31 and 18, respectively. The information in this paper can be used for politicians to develop legislations to improve International PCDD/PCDF Reduction.
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| 3. |
- Cao, Zhi-Guo, et al.
(författare)
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Particle size : A missing factor in risk assessment of human exposure to toxic chemicals in settled indoor dust
- 2012
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Ingår i: Environment International. - : Elsevier. - 0160-4120 .- 1873-6750. ; 49, s. 24-30
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Tidskriftsartikel (refereegranskat)abstract
- For researches on toxic chemicals in settled indoor dust, selection of dust fraction is a critical influencing factor to the accuracy of human exposure risk assessment results. However, analysis of the selection of dust fraction in recent studies revealed that there is no consensus. This study classified and presented researches on distribution of toxic chemicals according to dust particle size and on relationship between dust particle size and human exposure possibility. According to the literature, beyond the fact that there were no consistent conclusions on particle size distribution of adherent fraction, dust with particle size less than 100 mu m should be paid more attention and that larger than 250 mu m is neither adherent nor proper for human exposure risk assessment. Calculation results based on literature data show that with different selections of dust fractions, analytical results of toxic chemicals would vary up to 10-fold, which means that selecting dust fractions arbitrarily will lead to large errors in risk assessment of human exposure to toxic chemicals in settled dust. Taking into account the influence of dust particle size on risk assessment of human exposure to toxic chemicals, a new methodology for risk assessment of human exposure to toxic chemicals in settled indoor dust is proposed and human exposure parameter systems to settled indoor dust are advised to be established at national and regional scales all over the world.
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| 4. |
- Deng, Juan, et al.
(författare)
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Hierarchical Segmentation of Multitemporal RADARSAT-2 SAR Data Using Stationary Wavelet Transform and Algebraic Multigrid Method
- 2014
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Ingår i: IEEE Transactions on Geoscience and Remote Sensing. - 0196-2892 .- 1558-0644. ; 52:7, s. 4353-4363
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Tidskriftsartikel (refereegranskat)abstract
- The objective of this paper is to develop a new effective method for hierarchical segmentation of multitemporal ultrafine-beam synthetic aperture radar (SAR) data in urban areas. Multitemporal RADARSAT-2 ultrafine-beam high-resolution horizontal transmit and horizontal receive-Synthetic Aperture Radar (HH-SAR) images acquired in the rural-urban fringe of the Greater Toronto Area during the summer of 2008 are selected for this research. Stationary wavelet transform (SWT) and algebraic multigrid (AMG) method are proposed for segmentation of SAR data. SWT is applied for decomposition of multitemporal SAR images in image preprocessing. The hierarchical and matrix-based AMG method is applied for segmentation. A pyramid of fine-to-coarse grids is constructed by iteration of selecting representative pixels and calculating the interpolation matrix between a fine-level grid and a coarse-level grid. When the pyramid is completed, segments are determined by a top-down scanning based on the interpolation matrices. The AMG techniques provide a complete hierarchical segmentation of SAR data. The experimental results show that our method produces higher accuracy than eCognition.
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| 5. |
- Liu, Jian, et al.
(författare)
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Printable highly conductive conjugated polymer sensitized ZnO NCs as cathode interfacial layer for efficient polymer solar cells
- 2014
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Ingår i: ACS Applied Materials and Interfaces. - : American Chemical Society (ACS). - 1944-8244 .- 1944-8252. ; 6:11, s. 8237-8245
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Tidskriftsartikel (refereegranskat)abstract
- We report a facile way to produce printable highly conductive cathode interfacial layer (CIL) for efficient polymer solar cells (PSCs) by sensitizing ZnO nanocrystals (NCs) with a blue fluorescent conjugated polymer, poly(9, 9-bis-(6-diethoxylphosphorylhexyl) fluorene) (PFEP). Herein, PFEP plays dual distinctive roles in the composite. Firstly, PFEP chains can effectively block the aggregation of ZnO NCs, leading to uniform and smooth film during solution processing via assembly on ZnO NC surfaces through their pending phosphonate groups. Secondly, PFEP can greatly improve the conductivity of ZnO NCs by charge transfer doping, that is the charge transfer from the sensitizer driven by electron-chemical potential equilibrium, which could be even more pronounced under light illumination because of light excitation of PFEP sensitizer. The increased conductivity in ZnO-PFEP layer renders more efficient electron transport and extraction compared to pristine ZnO layer. This ZnO-PFEP CIL was successfully applied to PSCs based on three polymer donor systems with different band-gaps, and efficiency enhancements from 44 to 70% were observed compared to those PSCs with pristine ZnO CIL. The highest efficiency of 7.56% was achieved in P(IID-DTC):PC70BM-based PSCs by using ZnO-PFEP film as CIL. Moreover, the enhanced conductivity due to the charge-transfer doping effect allows thick ZnO-PFEP film to be used as CIL in high-performance PSCs. Both the high conductivity and good film-forming properties of ZnO-PFEP CIL are favorable for large-scale printable PSCs, which is also verified by high-efficiency PSCs with ZnO-PFEP CIL fabricated using doctor-blading, a large-scale processing technique. The work provides an efficient printable cathode interfacial material for efficient PSCs.
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| 6. |
- Wang, Zhaoming, et al.
(författare)
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Imputation and subset-based association analysis across different cancer types identifies multiple independent risk loci in the TERT-CLPTM1L region on chromosome 5p15.33
- 2014
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Ingår i: Human Molecular Genetics. - : Oxford University Press (OUP). - 0964-6906 .- 1460-2083. ; 23:24, s. 6616-6633
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Tidskriftsartikel (refereegranskat)abstract
- Genome-wide association studies (GWAS) have mapped risk alleles for at least 10 distinct cancers to a small region of 63 000 bp on chromosome 5p15.33. This region harbors the TERT and CLPTM1L genes; the former encodes the catalytic subunit of telomerase reverse transcriptase and the latter may play a role in apoptosis. To investigate further the genetic architecture of common susceptibility alleles in this region, we conducted an agnostic subset-based meta-analysis (association analysis based on subsets) across six distinct cancers in 34 248 cases and 45 036 controls. Based on sequential conditional analysis, we identified as many as six independent risk loci marked by common single-nucleotide polymorphisms: five in the TERT gene (Region 1: rs7726159, P = 2.10 × 10(-39); Region 3: rs2853677, P = 3.30 × 10(-36) and PConditional = 2.36 × 10(-8); Region 4: rs2736098, P = 3.87 × 10(-12) and PConditional = 5.19 × 10(-6), Region 5: rs13172201, P = 0.041 and PConditional = 2.04 × 10(-6); and Region 6: rs10069690, P = 7.49 × 10(-15) and PConditional = 5.35 × 10(-7)) and one in the neighboring CLPTM1L gene (Region 2: rs451360; P = 1.90 × 10(-18) and PConditional = 7.06 × 10(-16)). Between three and five cancers mapped to each independent locus with both risk-enhancing and protective effects. Allele-specific effects on DNA methylation were seen for a subset of risk loci, indicating that methylation and subsequent effects on gene expression may contribute to the biology of risk variants on 5p15.33. Our results provide strong support for extensive pleiotropy across this region of 5p15.33, to an extent not previously observed in other cancer susceptibility loci.
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