bluuebunny/crossref_metadata_2025_split huggingface dataset:
Monitoring Potential‐Induced DNA Dehybridization Kinetics for Single Nucleotide Polymorphism Detection by using In Situ Surface Enhanced Raman Scattering
Authors: Kayran Y. Ugur , Cinar Nergis , Jambrec Daliborka , Schuhmann Wolfgang 
Published: January 2018

AbstractChanges in temperature, ionic strength or electrical field are generally employed to dehybridize double‐stranded DNA (dsDNA). In contrast, we propose potential‐induced dsDNA dehybridization to distinguish fully matched target DNA (tDNA) from tDNA with a single nucleotide polymorphism (SNP) by following their dehybridization kinetics through in situ surface enhanced Raman scattering (SERS). The determination of the potential that evokes notable dehybridization of dsDNA without causing any desorption of the immobilized probe DNA (pDNA) from the electrode surface was performed by investigating the desorption kinetics of labelled single‐stranded DNA (ssDNA) and dehybridization kinetics of dsDNA with labelled tDNA. This comparatively simple approach allows for SNP detection within minutes.
Tin‐Assisted Sb2S3 Nanoparticles Uniformly Grafted on Graphene Effectively Improves Sodium‐Ion Storage Performance
Authors: Deng Pan , Yang Jing , He Wei , Li Shengyang , Zhou Weichang , Tang Dongsheng , Qu Baihua 
Published: January 2018

AbstractHerein, composites of tin‐assisted antimony sulfide decorated on reduced graphene oxide (Sn@Sb2S3‐rGO) were prepared by using a simple hydrothermal method. As an anode material of sodium‐ion batteries, the Sn@Sb2S3‐rGO composites exhibited good electrochemical performance with an initial discharge (sodiation) specific capacity of 1002.0 mAh g−1, and they maintained a specific capacity of approximately 600 mAh g−1 at a current density of 200 mA g−1 after 60 cycles. The good performances could be explained by the composite with graphene and a bimetallic synergistic effect, both of which have an impact on the structure of Sb2S3 and subsequent electrochemical performance. This approach to the bimetallic synergistic effect for graphene composites could be a promising new idea to design other high‐performance energy storage materials.
Nanocluster‐Mediated Synthesis of Diverse ZnTe Nanostructures: from Nanocrystals to 1D Nanobelts
Authors: Zheng Jiaojiao , Xu Meng , Liu Jia , Cheng Xiaoyan , Liu Jiajia , Rong Hongpan , Zhang Jiatao 
Published: January 2018

AbstractLiquid phase one‐pot synthesis of semiconductor nanocrystals, by direct nucleation‐growth crystallization, is unsuccessful for synthesis of some kinds of semiconductors. Using ZnTe as an example here, highly disperse ZnTe nanoclusters with diameters of 2–3 nm were first synthesized by a facile solvothermal method. Then the ZnTe nanoclusters were chosen as starting crystallization seeds to mediate the synthesis of flexible semiconductor nanostructures. Three‐dimensional (3D) oriented assembly of ZnTe nanoclusters to monodisperse dendrimer‐like nanocrystals (DLNCs), and one‐dimensional (1D) ZnTe nanobelts with cubic phase, have been achieved successfully. Supported by TEM characterization of time‐dependent morphology evolution, the oriented attachment assisted seed growth, based on ZnTe nanoclusters, enabled the 1D flexible ZnTe nanobelts formation, which could reach to ≈10 micrometers length.
Different Donor–Acceptor Interactions of Carbene Ligands in Heteroleptic Divalent Group 14 Compounds, LEL′ (E=C–Sn; L=N‐Heterocyclic Carbene; L′=Cyclic Alkyl(Amino) Carbene)
Authors: Purushothaman Indu , De Susmita , Parameswaran Pattiyil 
Published: January 2018

AbstractThe electronic structure and reactivity of heteroleptic divalent group 14 compounds, 1E (E=C–Sn) with NHC and cAAC ligands have been studied at the BP86/TZ2P level of theory and compared with homoleptic group 14 compounds. The EDA–NOCV (energy decomposition analysis–natural orbitals for chemical valence) analysis indicates that the interaction between the two carbene ligands and the central C‐atom in 1C can be best represented as one 3c–2e electron sharing σ‐bond and one 3c–2e donor–acceptor σ‐bond. There exists an electron sharing interaction between the π‐type orbital on the central C‐atom and the C−N π* orbital of cAAC and a π‐back‐donation from the σ‐type lone pair on the central C‐atom to the π*‐MO of NHC. This bonding description is equivalent to the localized bonding representation, where the central C‐atom forms two electron sharing bonds and two donor‐acceptor bonds with cAAC and NHC ligands. However, the bonding between the carbene ligands and the heavier group 14 element can be best represented as two 2c–2e donor–acceptor σ‐bonds and a π‐back‐donation from group 14 element to C−N π* orbital of cAAC. This bonding description is well supported by the geometrical and Natural Bond Orbital (NBO) analyses. Hence, 1C can be best described as a carbene and the heavier analogues can be best described as tetrylones. However, the high first (287.6–274.3 kcal mol−1) and second proton affinities (162.0–158.5 kcal mol−1) suggest that 1E (E=C–Sn) behave as tetrylones.
Design and Assembly of Covalently Functionalised Polyoxofluorovanadate Molecular Hybrids
Authors: Nicolaou Maria , Papanikolaou Michael G. , Tsipis Athanassios C. , Kabanos Themistoklis A. , Keramidas Anastasios D. , Sproules Stephen , Miras Haralampos N. 
Published: January 2018

AbstractMixed‐valent polyoxometalate (POM) clusters are one of the most interesting host species, showing a wide range of structural features and properties. The facile preparation and functionalisation of a mixed‐valent polyoxofluorovanadates is reported, where two electrons are trapped to antipodal sites of the clusters. The first members of this family of clusters with the general formula, [VV12VIV2O16(μ‐O)10(μ3‐O)10(μ3‐F)2(L)2]6−, where L: py=pyridine (1); pyr=pyrazine (2); im=imidazole (3), are unique organic‐inorganic hybrids with the addition of aN‐donor ligand at either end of the polyoxofluorovanadate. The composition and connectivity of1–3were characterised by single‐crystal X‐ray diffraction and electrospray ionisation mass spectrometry. Electron paramagnetic resonance spectroscopy revealed that the two well‐separated VIVions in each cluster are fully uncoupled withJ=0, giving a degenerate singlet–triplet ground state. This attenuation of the exchange interaction is probed with density functional theoretical calculations that reveal that the inclusion of the fluoride ion in the cluster produces a bond pathway biased toward destructive interference between competing ferromagnetic and antiferromagnetic interactions. These robust molecular materials are the ideal combination of desirable electronic properties, with an organic handle with which they can be integrated into spintronic circuitry for molecular devices.
Metal Complex‐Controlled Regio‐, Diastero‐ and Enantioselective 1,3‐Dipolar Cycloaddition of Azomethine Ylides with Benzo[b]thiophene Sulfones
Authors: Harada Masato , Kato Shuma , Haraguchi Ryosuke , Fukuzawa Shin‐ichi 
Published: January 2018

AbstractThe Cu(MeCN)4PF6/DTBM‐Segphos complex catalyzed the highly diastereo‐ and enantioselective 1,3‐dipolar cycloaddition of azomethine ylides with benzo[b]thiophene sulfones with the usual regiochemistry to give single isomers of the exo‐cycloadducts in good yields. In contrast, the AgOAc/ThioClickFerrophos complex catalyzed the reaction with atypical regiochemistry to give the endo‐cycloadducts as major products with excellent enantioselectivities. Thus, the choice of chiral metal complex enabled the regio‐ and stereoselective synthesis of chiral fused sulfolanes.
Chinese and South Asian ethnicity, immigration status, and clinical cancer outcomes in the Ontario Cancer System
Authors: Stevenson James K.R. , Cheung Matthew C. , Earle Craig C. , Fischer Hadas D. , Camacho Ximena , Saskin Refik , Shah Baiju R. , Austin Peter C. , Singh Simron 
Published: January 2018

BACKGROUNDIn the United States, certain minority groups have been shown to have inferior cancer outcomes compared with the white majority population. However, to the authors' knowledge, the majority of research has not separated ethnicity from immigration status. The objective of the current study was to determine the impact of ethnicity, independent of immigration status, on cancer outcomes in Chinese and South Asian populations in Ontario, Canada.METHODSThe authors conducted a population‐based retrospective cohort study using administrative databases in Ontario, Canada. Incident cancer cases were captured in Canadian‐born Chinese and South Asian individuals, Chinese and South Asian immigrants, and the general Ontario reference population (non‐Chinese/non‐South Asian and non‐immigrant) between 2000 and 2012. Subjects were followed until death (all‐cause and cancer‐specific), and Cox proportional hazard models were used to estimate the impact of Chinese and South Asian ethnicity on cancer outcomes after adjusting for explanatory variables.RESULTSA total of 423,678 cancer cases were identified; at total of 6631 cases were identified in Canadian‐born Chinese individuals and 2752 cases in Canadian‐born South Asian individuals. After adjustment, the rate of all‐cause mortality was lower for Canadian‐born Chinese (hazard ratio [HR], 0.829; 95% confidence interval [95% CI], 0.795‐0.865), Canadian‐born South Asian (HR, 0.856; 95% CI, 0.797‐0.919), and Chinese immigrant (recent immigrant: HR, 0.661 [95% CI, 0.610‐0.716] and non‐recent immigrant: HR, 0.853 [95% CI, 0.803‐0.906]) populations compared with the general Ontario population. A similar effect was found for cancer‐specific mortality.CONCLUSIONSChinese and South Asian ethnic groups appear to have lower cancer mortalities compared with the general Ontario population. After removing the well‐documented protective effect of immigration, Chinese and South Asian ethnicities were found to be associated with a cancer survival advantage in Ontario, Canada. Cancer 2018;124:1473‐82. © 2018 American Cancer Society.
Orthopedia homeobox is preferentially expressed in typical carcinoids of the lung
Authors: Hanley Krisztina Z. , Dureau Zachary J. , Cohen Cynthia , Shin Dong M. , Owonikoko Taofeek K. , Sica Gabriel L. 
Published: January 2018

BACKGROUNDTwenty‐seven percent of neuroendocrine tumors (NETs) are associated with distant metastases, and in some patients, the primary site is unknown. Orthopedia homeobox protein (OTP) has been described as a useful marker for lung carcinoids (LCs) and for separating low‐grade typical carcinoids (TCs) from intermediate‐grade atypical carcinoids (ACs) in resection specimens. This study evaluated OTP, thyroid transcription factor 1 (TTF‐1), and Ki‐67 expression in fine‐needle aspiration (FNA) samples of various NETs.METHODSA search for NETs diagnosed via FNA with subsequent resection was performed. Cell block sections were stained for OTP, TTF‐1, and mindbomb E3 ubiquitin protein ligase 1 (Mib‐1). Nuclear expression for OTP and TTF‐1 was considered positive. Nuclear Ki‐67 staining was reported as a percentage. Results were correlated with the grade and primary site for resection specimens.RESULTSSixty‐three FNA samples of NETs were identified: 14 liver samples, 14 pancreatic samples, 13 lymph node samples, 12 lung samples, 3 retroperitoneum samples, 2 small intestine samples, and 5 other samples. OTP was positive in 12 of 63 NETs (19%) from the following sites: lung (n = 8), liver (lung primary; n = 2), skin (n = 1), and lymph node (lung primary; n = 1). In well‐differentiated NETs, only LCs were OTP‐positive, whereas TTF‐1 was positive in LCs and nonlung NETs (67% vs 7%). Within the LC category, OTP was positive in 100% of the TCs versus 17% of the ACs.CONCLUSIONSOTP is specific for LCs because well‐differentiated nonlung NETs are negative for OTP. OTP preferentially stains TCs over ACs. In well‐differentiated NETs, OTP staining is highly specific for LCs, and in combination with a low Ki‐67 index, it suggests a pulmonary TC. Cancer Cytopathol 2018;126:236‐42. © 2018 American Cancer Society.
A Comparative Study on the Photophysics and Photochemistry of Xanthene Dyes in the Presence of Polyamidoamine (PAMAM) Dendrimers
Authors: Arbeloa Ernesto Maximiliano , Previtali Carlos Mario , Bertolotti Sonia Graciela 
Published: January 2018

AbstractThe photophysical and photochemical properties of the xanthene dyes Eosin Y, Erythrosin B, and Rose Bengal are evaluated in the presence of amino‐terminated polyamidoamine (PAMAM) dendrimers of relatively high generation (G3–G5) in alkaline aqueous solution. UV/Vis absorption and fluorescence spectra of the dyes show bathochromic shifts, which correlate with the size of the dendrimer. Binding constants (Kbind) are calculated from absorption data. The resulting high Kbind values indicate strong interactions between both molecules. Triplet–triplet absorption spectra of the dyes are recorded by laser flash photolysis, and a decrease in the triplet lifetimes is observed in the presence of dendrimers. At the same time, an increase in the absorption of the semireduced form of the dyes is observed. Rate constants for triplet quenching (3kq) and radical quantum yields (ΦR) are obtained. The results are explained by a very efficient electron‐transfer process from PAMAM to xanthene dyes for all of the dye/dendrimer couples that are evaluated.
Morphology‐Independent Efficient Singlet Exciton Fission in Perylene Diimide Thin Films
Authors: Aulin Yaroslav V. , Felter Kevin M. , Günbas D. Deniz , Dubey Rajeev K. , Jager Wolter F. , Grozema Ferdinand C. 
Published: January 2018

AbstractPerylene diimides are conjugated chromophores that are of considerable interest owing to their ability to transform a singlet excited state into two triplets by singlet fission. Although singlet fission has previously been reported for certain perylene diimide derivatives, there is some uncertainty about the rates and yield of the process in these materials. In this report, ultrafast transient absorption spectroscopy is used to demonstrate that singlet fission in perylene diimides can occur on a sub‐picosecond timescale with quantum yields approaching the theoretical limit of 200 %.
CF3 Substitution of [Cu(P^P)(bpy)][PF6] Complexes: Effects on Photophysical Properties and Light‐Emitting Electrochemical Cell Performance
Authors: Keller Sarah , Brunner Fabian , Junquera‐Hernández José M. , Pertegás Antonio , La‐Placa Maria‐Grazia , Prescimone Alessandro , Constable Edwin C. , Bolink Henk J. , Ortí Enrique , Housecroft Catherine E. 
Published: January 2018

AbstractHerein, [Cu(P^P)(N^N)][PF6] complexes (P^P=bis[2‐(diphenylphosphino)phenyl]ether (POP) or 4,5‐bis(diphenylphosphino)‐9,9‐dimethylxanthene (xantphos); N^N=CF3‐substituted 2,2′‐bipyridines (6,6′‐(CF3)2bpy, 6‐CF3bpy, 5,5′‐(CF3)2bpy, 4,4′‐(CF3)2bpy, 6,6′‐Me2‐4,4′‐(CF3)2bpy)) are reported. The effects of CF3 substitution on their structure as well as their electrochemical and photophysical properties are also presented. The HOMO–LUMO gap was tuned by the N^N ligand; the largest redshift in the metal‐to‐ligand charge transfer (MLCT) band was for [Cu(P^P){5,5′‐(CF3)2bpy}][PF6]. In solution, the compounds are weak yellow to red emitters. The emission properties depend on the substitution pattern, but this cannot be explained by simple electronic arguments. Among powders, [Cu(xantphos){4,4′‐(CF3)2bpy}][PF6] has the highest photoluminescence quantum yield (PLQY; 50.3 %) with an emission lifetime of 12 μs. Compared to 298 K solution behavior, excited‐state lifetimes became longer in frozen Me‐THF (77 K; THF=tetrahydrofuran), thus indicating thermally activated delayed fluorescence (TADF). Time‐dependent (TD)‐DFT calculations show that the energy gap between the lowest‐energy singlet and triplet excited states (0.12–0.20 eV) permits TADF. Light‐emitting electrochemical cells (LECs) with [Cu(POP)+(6‐CF3bpy)][PF6], [Cu(xantphos)(6‐CF3bpy)][PF6], or [Cu(xantphos){6,6′‐Me2‐4,4′‐(CF3)2bpy}][PF6] emit yellow electroluminescence. The LEC with [Cu(xantphos){6,6′‐Me2‐4,4′‐(CF3)2bpy}][PF6] had the fastest turn‐on time (8 min), and the LEC with the longest lifetime (t1/2=31 h) contained [Cu(xantphos)(6‐CF3bpy)][PF6]; these LECs reached maximum luminances of 131 and 109 cd m−2, respectively.
An effective copyright‐protected content delivery scheme for P2P file sharing networks
Authors: Su Majing , Zhang Hongli , Bhuiyan Md Zakirul Alam , Du Xiaojiang , Zhang Peng 
Published: January 2018

SummaryIllegal sharing of copyrighted materials in peer‐to‐peer (P2P) networks has become a serious threat to the content industries. Despite many copyright‐protected P2P systems that have been designed to prevent piracy, the user authentication–based approaches face the challenge of collusion attacks and the encryption‐based approaches may be vulnerable to poisoning attacks. Observing these, in this paper, we present a novel copyright‐protected content delivery scheme (CPP) for P2P file‐sharing networks based on piece‐level stochastic encryption. In CPP, peers must pay for decryption key sequences before accessing to the plaintext content. For each peer, the sequence of the decryption keys is different from others, so the unauthorized peers could not access the content even if some colluders share their keys. Modified piece with hash enable peers to check the correctness of each piece after downloading, preventing the propagation of poisoned pieces. There is neither massive state maintenance nor frequent user authentication during the download process. Peers purchase after downloading, protecting their benefits when quitting the system before paying. Analysis and experiments show that CPP is suitable for delivering large files, and it is resilience to collusion attacks and poisoning attacks.
The Paris system for reporting urinary cytology improves correlation with surgical pathology biopsy diagnoses of the lower urinary tract
Authors: Bertsch Elizabeth C. , Siddiqui Momin T. , Ellis Carla L. 
Published: January 2018

IntroductionThe current study seeks to compare both the original diagnoses (OD) and the updated Paris system diagnoses (PD) of urinary cytology specimens to the corresponding surgical pathology (biopsy) diagnoses (SD) to determine which diagnostic paradigm (OD vs PD) has a stronger correlation to the SD.Design56 cases from 34 patients that had a malignant SD associated with a corresponding cytology specimen from the same location within up to 90 days of the biopsy procedure were selected. We reviewed the cytology specimens and assigned a PD to each case. We then compared each OD and each PD to the corresponding SD. Correspondence was defined as when the SD had the same result or equal weight as either cytopathologic diagnosis.ResultsOf the 47 cases with an available SD, the PD alone corresponded in 32%, both PD and OD corresponded in 26%, neither corresponded in 42%. The OD in isolation did not correspond to the SD in any cases, indicating superior correlation with the PD as compared to the OD (P = 0.0002). Of the 15 cases where the PD corresponded, 11/15 were from the lower tract and the remaining 4 were from the upper tract, indicating superior correlation with the PD in specimens from the lower urinary tract (P = 0.034). In the 27 cases where the PD alone and “both” the PD and the OD correlated to the SD, 9/27 were from the upper tract and 18/27 were from the lower tract, indicating further support for increased correlation between the cytopathology and biopsy diagnoses in the lower urinary tract above the upper tract (P = 0.032).ConclusionWhen applied, the PD has a stronger correlation to the SD, particularly when the biopsies are from the lower urinary tract. Further study with more cases is required to support this significant association.
Proper experimental design requires randomization/balancing of molecular ecology experiments
Authors: Bálint Miklós , Márton Orsolya , Schatz Marlene , Düring Rolf‐Alexander , Grossart Hans‐Peter 
Published: January 2018

AbstractProperly designed (randomized and/or balanced) experiments are standard in ecological research. Molecular methods are increasingly used in ecology, but studies generally do not report the detailed design of sample processing in the laboratory. This may strongly influence the interpretability of results if the laboratory procedures do not account for the confounding effects of unexpected laboratory events. We demonstrate this with a simple experiment where unexpected differences in laboratory processing of samples would have biased results if randomization in DNA extraction and PCR steps do not provide safeguards. We emphasize the need for proper experimental design and reporting of the laboratory phase of molecular ecology research to ensure the reliability and interpretability of results.
Dominant plant species shape soil bacterial community in semiarid sandy land of northern China
Authors: Wang Shaokun , Zuo Xiaoan , Zhao Xueyong , Awada Tala , Luo Yongqing , Li Yuqiang , Qu Hao 
Published: January 2018

AbstractPlant species affect soil bacterial diversity and compositions. However, little is known about the role of dominant plant species in shaping the soil bacterial community during the restoration of sandy grasslands in Horqin Sandy Land, northern China. We established a mesocosm pots experiment to investigate short‐term responses of soil bacterial diversity and composition, and the related soil properties in degraded soils without vegetation (bare sand as the control, CK) to restoration with five plant species that dominate across restoration stages: Agriophyllum squarrosum (AS), Artemisia halodendron (AH), Setaria viridis (SV), Chenopodium acuminatum (CA), and Corispermum macrocarpum (CM). We used redundancy analysis (RDA) to analyze the association between soil bacterial composition and soil properties in different plant species. Our results indicated that soil bacterial diversity was significantly lower in vegetated soils independent of plant species than in the CK. Specifically, soil bacterial species richness and diversity were lower under the shrub AH and the herbaceous plants AS, SV, and CA, and soil bacterial abundance was lower under AH compared with the CK. A field investigation confirmed the same trends where soil bacteria diversity was lower under AS and AH than in bare sand. The high‐sequence annotation analysis showed that Proteobacteria, Actinobacteria, and Bacteroidetes were the most common phyla in sandy land irrespective of soil plant cover. The OTUs (operational taxonomic units) indicated that some bacterial species were specific to the host plants. Relative to bare sand (CK), soils with vegetative cover exhibited lower soil water content and temperature, and higher soil carbon and nitrogen contents. The RDA result indicated that, in addition to plant species, soil water and nitrogen contents were the most important factors shaping soil bacterial composition in semiarid sandy land. Our study from the pot and field investigations clearly demonstrated that planting dominant species in bare sand impacts bacterial diversity. In semiarid ecosystems, changes in the dominant plant species during vegetation restoration efforts can affect the soil bacterial diversity and composition through the direct effects of plants and the indirect effects of soil properties that are driven by plant species.