bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolation of a Reactive Tricoordinate α‐Oxo Gold Carbene Complex
Authors: Zeineddine Abdallah , Rekhroukh Feriel , Sosa Carrizo E. Daiann , Mallet‐Ladeira Sonia , Miqueu Karinne , Amgoune Abderrahmane , Bourissou Didier 
Published: December 2017

AbstractThe [(P,P)Au=C(Ph)CO2Et]+ complex 3 [where (P,P) is an o‐carboranyl diphosphine ligand] was prepared by diazo decomposition at −40 °C. It is the first α‐oxo gold carbene complex to be characterized. Its crystallographic structure was determined and DFT calculations have been performed, unraveling the key influence of the chelating (P,P) ligand. The gold center is tricoordinate and the electrophilicity of the carbene center is decreased. Complex 3 mimics transient α‐oxo gold carbenes in a series of catalytic transformations, and provides support for the critical role of electrophilicity in the chemoselectivity of phenol functionalization (O−H vs. C−H insertion).
Artificial Cysteine S‐Glycosylation Induced by Per‐O‐Acetylated Unnatural Monosaccharides during Metabolic Glycan Labeling
Authors: Qin Wei , Qin Ke , Fan Xinqi , Peng Linghang , Hong Weiyao , Zhu Yuntao , Lv Pinou , Du Yifei , Huang Rongbing , Han Mengting , Cheng Bo , Liu Yuan , Zhou Wen , Wang Chu , Chen Xing 
Published: December 2017

AbstractThe unexpected, non‐enzymatic S‐glycosylation of cysteine residues in various proteins by per‐O‐acetylated monosaccharides is described. This artificial S‐glycosylation greatly compromises the specificity and validity of metabolic glycan labeling in living cells by per‐O‐acetylated azido and alkynyl sugars, which has been overlooked in the field for decades. It is demonstrated that the use of unacetylated unnatural sugars can avoid the artifact formation and a corrected list of O‐GlcNAcylated proteins and O‐GlcNAc sites in HeLa cells has been assembled by using N‐azidoacetylgalactosamine (GalNAz).
Sodium 4‐mercaptophenolate capped CdSe/ZnS quantum dots as a fluorescent probe for pH detection in acidic aqueous media
Authors: Xu Hu , Li Dong , Zhao Yun , Wang Xiaomei , Li Dan , Wang Yuhong 
Published: December 2017

AbstractDevelopment of the fluorescent pH detection method is promising due to the sensitivity, easy operation, and low‐cost, etc. However, traditional organic fluorophores have still some disadvantages such as the tedious preparation and purification as well as low photostability and water solubility, which limits the rapid detection application. Semiconductor quantum dots (QDs) have recently risen to prominence as an alternative for organic fluorophores in fluorescence analysis by virtue of their convenient synthesis and superior optical properties. In this study, we report on sodium 4‐mercaptophenolate functionalized CdSe/ZnS QDs (denoted as −OPhS‐QDs), which can serve as a selective “on–off” fluorescence probe for aqueous media pH. −OPhS‐QDs exhibit strong fluorescence in near neutral medium. As a Lewis organic base, −OPhS‐ moieties on QDs surface easily binds to proton under acidic conditions to yield 4‐mercaptophenol capped QDs (i.e. HOPhS‐QDs), which acts as an efficient hole trapper. As a result, the QDs photoluminescence (PL) is switched off. Under optimal conditions, the present probe exhibits a good linear relationship between fluorescence response and pH values in the pH range 3.0–5.2. Furthermore, the present probe exhibits a high selectivity for proton over other common cations and has been successfully used for pH detection in real water samples.
Rational Design and Synthesis of Unsaturated Se‐Containing Osmacycles with σ‐Aromaticity
Authors: Zhou Xiaoxi , Wu Jingjing , Hao Yulei , Zhu Congqing , Zhuo Qingde , Xia Haiping , Zhu Jun 
Published: December 2017

AbstractInvited for the cover of this issue are the groups of Haiping Xia and Jun Zhu at the University of Xiamen. The image depicts their discovery of metallacyles with σ‐aromaticity dominating in an unsaturated Se‐containing ring. Read the full text of the article at 10.1002/chem.201703870.
Nitrate Esters of Heteroaromatic Compounds as Candida albicans CYP51 Enzyme Inhibitors
Authors: Smiljkovic Marija , Matsoukas Minos‐Timotheos , Kritsi Eftichia , Zelenko Urska , Grdadolnik Simona Golic , Calhelha Ricardo C. , Ferreira Isabel C. F. R. , Sankovic‐Babic Snezana , Glamoclija Jasmina , Fotopoulou Theano , Koufaki Maria , Zoumpoulakis Panagiotis , Sokovic Marina 
Published: December 2017

AbstractFour heteroaromatic compounds bearing nitrate esters were selected using a virtual‐screening procedure as putative sterol 14α‐demethylase (CYP51) Candida albicans inhibitors. Compounds were examined for their inhibition on C. albicans growth and biofilm formation as well as for their toxicity. NMR spectroscopy studies, in silico docking, and molecular dynamics simulations were used to investigate further the selectivity of these compounds to fungal CYP51. All compounds exhibited good antimicrobial properties, indicated with low minimal inhibitory concentrations and ability to inhibit formation of fungal biofilm. Moreover, all of the compounds had the ability to inhibit growth of C. albicans cells. N‐(2‐Nitrooxyethyl)‐1Η‐indole‐2‐carboxamide was the only compound with selectivity on C. albicans CYP51 that did not exhibit cytotoxic effect on cells isolated from liver and should be further investigated for selective application in new leads for the treatment of candidiasis.
NMR Lineshapes and Scalar Relaxation of the Water‐Endofullerene H217O@C60
Authors: Elliott Stuart James , Bengs Christian , Kouril Karel , Meier Benno , Alom Shamim , Whitby Richard John , Levitt Malcolm Harris 
Published: December 2017

AbstractThe 17O isotopomer of the water‐endofullerene H2O@C60 displays a remarkable proton NMR spectrum, with six well resolved peaks. These peaks are due to the J‐coupling between the water protons and the 17O nucleus, which has spin‐5/2. The resolution of these peaks is enabled by the suppression of water proton exchange by the fullerene cage. The six peaks display an unusual pattern of linewidths, which we model by a Liouville‐space treatment of scalar relaxation due to quadrupolar relaxation of the 17O nuclei. The data are consistent with rotational diffusion of the water molecules on the sub‐picosecond timescale.
Cyclopentanone Derivatives from 5‐Hydroxymethylfurfural via 1‐Hydroxyhexane‐2,5‐dione as Intermediate
Authors: Wozniak Bartosz , Spannenberg Anke , Li Yuehui , Hinze Sandra , de Vries Johannes G. 
Published: December 2017

AbstractAn efficient strategy for the conversion of biomass derived 5‐hydroxymethylfurfural (HMF) into 2‐hydroxy‐3‐methylcyclopent‐2‐enone (MCP) by an intramolecular aldol condensation of 1‐hydroxyhexane‐2,5‐dione (HHD) has been developed. Further transformations of MCP towards the diol, enol acetate, levulinic acid and N‐heterocyclic compounds are also reported.
Artificial bee colony–based spectrum handoff algorithm in wireless cognitive radio networks
Authors: Bayrakdar Muhammed Enes , Çalhan Ali 
Published: December 2017

SummaryIn this work, we proposed a new artificial bee colony–based spectrum handoff algorithm for wireless cognitive radio systems. In our wireless cognitive radio system, primary users, secondary users, and related base stations exist in the same communication environment. For our artificial bee colony–based algorithm, secondary users that always struggle to discover an idle channel have a leading role. While honey bees work hard to find the best‐quality nectar source for foraging, secondary users try to find idle channels for making communication. In this way, secondary users are organized for different missions such as sensing and handoff similar to honey bees to minimize spectrum handoff delay by working together. In the spectrum handoff stage, some secondary users must sense the spectrum so that the interrupted secondary user may perform the spectrum handoff process. In our developed spectrum handoff algorithm, the spectrum availability characteristic is observed on the basis of the missions of the bees in the artificial bee colony algorithm with the aim of minimizing the spectrum handoff delay and maximizing probability of finding an idle channel. With the help of the algorithm that is developed using the artificial bee colony, spectrum handoff delay of secondary users is considerably decreased for different number of users without reducing probability of finding an available channel.
“Double‐duty” conventional dendritic cells in the amphibian Xenopus as the prototype for antigen presentation to B cells
Authors: Neely Harold R. , Guo Jacqueline , Flowers Emily M. , Criscitiello Michael F. , Flajnik Martin F. 
Published: December 2017

AbstractTwo populations of dendritic cells (DCs) are found in mammals, one derived from hematopoietic precursors (conventional/cDC), and another derived from mesenchymal precursors, the follicular DC (FDC); the latter is specialized for antigen presentation to B cells, and has only been definitively demonstrated in mammals. Both cDC and FDC are necessary for induction of germinal centers (GC) and GC‐dependent class switch recombination (CSR) and somatic hypermutation (SHM). We demonstrate that in Xenopus, an amphibian in which immunoglobulin CSR and SHM occur without GC formation, a single type of DC has properties of both cDC and FDC, including high expression of MHC class II for the former and display of native antigen at the cell surface for the latter. Our data confirm that the advent of FDC functionality preceded emergence of bona fide FDC, which was in turn crucial for the development of GC formation and efficient affinity maturation in mammals.
Mapping dune dynamics by InSAR coherence
Authors: Havivi Shiran , Amir Doron , Schvartzman Ilan , August Yitzhak , Maman Shimrit , Rotman Stanley R. , Blumberg Dan G. 
Published: December 2017

AbstractIt is generally held that subtle changes in sandy environments are very difficult to detect in imagery. Nonetheless, this study demonstrates how synthetic aperture radar (SAR) interferometric decorrelation can be used to identify changes in individual sand dunes. The use of coherence maps over time facilitates the analysis of dune dynamics, both temporally and spatially. The Ashdod‐Nizzanim coastal dunes, along the southern coastal plain of Israel, were chosen as an illustrative example of the analysis of dune dynamics. High‐resolution TerraSAR‐X (TSX) radar images covering the entire research area were acquired for the period February to July 2012, together with meteorology data (wind and rain) for the area. The coherence results enabled the stability of individual dunes to be described as a function of time. It was found that the dune crests were more stable than the windward slopes and that the degree of stability was dependent on the distance of the dune from the sea. The results of this study show the potential of using interferometric synthetic aperture radar (InSAR) decorrelation for aeolian studies, even in areas characterized by low coherence. Copyright © 2017 John Wiley & Sons, Ltd.
Baddeleyite U–Pb age and geochemical data of the mafic dykes from South Qinling: Constraints on the lithospheric extension
Authors: Zhang Guishan , Liu Shuwen , Han Wenhua , Zheng Houyi 
Published: December 2017

The nature of magma sources, time frame, and geodynamic settings of the late Early Paleozoic mafic magmatic activities in the South Qinling Orogen is not clearly understood. The Ziyang area with concentrated and representative outcrops of the late Early Paleozoic mafic dykes was selected as a study area, and detailed petrology, whole‐rock geochemistry, isotopic geochemistry, and baddeleyite U–Pb chronology were combined to reveal the origin of the mafic dykes. Baddeleyite U–Pb chronological study shows that the formation age of the mafic dykes is 425.4 ± 6.4 Ma, indicating they were formed in the Late Silurian. The mafic dykes in the Ziyang area are alkaline rock series, are generally characterized by enriched Rb, Ba, Sr, La, Ce, Nb, and Ta, and have similar geochemical characteristics to those of OIB‐type basalt. The spider diagram of trace elements shows that the mafic dykes are weakly depleted in K and strongly depleted in Zr, Hf, and Ti. The mafic dykes are composed of depleted Nd and Pb isotopes and moderately enriched Sr isotopes, with εNd(t) = +3.4 to +3.6, (87Sr/86Sr)i = 0.70382–0.70412, (206Pb/204Pb)i = 17.542–17.802, (207Pb/204Pb)i = 15.557–15.569, and (208Pb/204Pb)i = 37.531–37.880. The elemental and isotopic geochemistry shows that the mafic dykes in the Ziyang area did not undergo crustal contamination during formation and that their geochemical characteristics could reflect the characteristics of their source. Amphibole whose formation was related to metasomatism by carbonate fluids was likely present in the mantle source. Therefore, the mantle source might have underwent metasomatism by carbonate fluids. The mantle metasomatism occurred recently, so the metasomatism of mantle source was likely caused by a subducted ocean plate in the early Neoproterozoic. The mafic dykes in the Ziyang area were formed in an intracontinental rift environment, and mantle plume activities were the main cause of the intracontinental rifting.
The intraparietal sulcus governs multisensory integration of audiovisual information based on task difficulty
Authors: Regenbogen Christina , Seubert Janina , Johansson Emilia , Finkelmeyer Andreas , Andersson Patrik , Lundström Johan N. 
Published: December 2017

AbstractObject recognition benefits maximally from multimodal sensory input when stimulus presentation is noisy, or degraded. Whether this advantage can be attributed specifically to the extent of overlap in object‐related information, or rather, to object‐unspecific enhancement due to the mere presence of additional sensory stimulation, remains unclear. Further, the cortical processing differences driving increased multisensory integration (MSI) for degraded compared with clear information remain poorly understood. Here, two consecutive studies first compared behavioral benefits of audio‐visual overlap of object‐related information, relative to conditions where one channel carried information and the other carried noise. A hierarchical drift diffusion model indicated performance enhancement when auditory and visual object‐related information was simultaneously present for degraded stimuli. A subsequent fMRI study revealed visual dominance on a behavioral and neural level for clear stimuli, while degraded stimulus processing was mainly characterized by activation of a frontoparietal multisensory network, including IPS. Connectivity analyses indicated that integration of degraded object‐related information relied on IPS input, whereas clear stimuli were integrated through direct information exchange between visual and auditory sensory cortices. These results indicate that the inverse effectiveness observed for identification of degraded relative to clear objects in behavior and brain activation might be facilitated by selective recruitment of an executive cortical network which uses IPS as a relay mediating crossmodal sensory information exchange.
Nasal epithelial barrier disruption by particulate matter ≤2.5 μm via tight junction protein degradation
Authors: Zhao Renwu , Guo Zhiqiang , Zhang Ruxin , Deng Congrui , Xu Jian , Dong Weiyang , Hong Zhicong , Yu Hongzhi , Situ Huiru , Liu Chunhui , Zhuang Guoshun 
Published: December 2017

AbstractUpper airway diseases including sinonasal disorders may be caused by exposure to fine particulate matter (≤2.5 μm; PM2.5), as proven by epidemiological studies. PM2.5 is a complex entity whose chemical constituents and physicochemical properties are not confined to a single, independent “particle” but which in this study means a distinctive environmental “toxin.” The mechanism whereby PM2.5 induces nasal epithelial barrier dysfunction leading to sinonasal pathology remains unknown. In the present study, human nasal epithelial cells were exposed to non‐cytotoxic doses of PM2.5 to examine how PM2.5 affects the nasal epithelial barrier. Tight junction (TJ) integrity and function were assessed by transepithelial electric resistance and paracellular permeability. The expression levels of TJ proteins such as zona occludens‐1, occludin and claudin‐1 were assessed by immunofluorescence staining and western blot. PM2.5 exposure induced epithelial barrier dysfunction as reflected by increased paracellular permeability and decreased transepithelial electric resistance. TJ proteins zona occludens‐1, occludin and claudin‐1 were found to be downregulated. Pretreatment with N‐acetyl‐l‐cysteine alleviated PM2.5‐mediated reactive oxygen species generation in RPMI 2650 cells, further preventing barrier dysfunction and attenuating the degradation of TJ proteins. These results suggest that PM2.5 induces nasal epithelial barrier disruption via oxidative stress, and N‐acetyl‐l‐cysteine counteracts this PM2.5‐mediated effect. Thus, nasal epithelial barrier disruption caused by PM2.5, which leads to sinonasal disease, may be prevented or treated through the inhibition of reactive oxygen species.
Assessment of cellular and serum proteome from tongue squamous cell carcinoma patient lacking addictive proclivities for tobacco, betel nut, and alcohol: Case study
Authors: Khowal Sapna , Naqvi Samar H. , Monga Seema , Jain Swatantra K. , Wajid Saima 
Published: December 2017

AbstractThe intriguing molecular pathways involved in oral carcinogenesis are still ambiguous. The oral squamous cell carcinoma (OSCC) ranks as the most common type constituting more than 90% of the globally diagnosed oral cancers cases. The elevation in the OSCC incidence rate during past 10 years has an alarming impression on human healthcare. The major challenges associated with OSCC include delayed diagnosis, high metastatic rates, and low 5‐year survival rates. The present work foundations on reverse genetic strategy and involves the identification of genes showing expressional variability in an OSCC case lacking addictive proclivities for tobacco, betel nut, and/or alcohol, major etiologies. The expression modulations in the identified genes were analyzed in 16 patients comprising oral pre‐cancer and cancer histo‐pathologies. The genes SCCA1 and KRT1 were found to down regulate while DNAJC13, GIPC2, MRPL17, IG‐Vreg, SSFA2, and UPF0415 upregulated in the oral pre‐cancer and cancer pathologies, implicating the genes as crucial players in oral carcinogenesis.
Potential role of salt‐bridges in the hinge‐like movement of apicomplexa specific β‐hairpin of Plasmodium and Toxoplasma profilins: A molecular dynamics simulation study
Authors: Kadirvel Priyadarsini , Anishetty Sharmila 
Published: December 2017

AbstractProfilin is one of the actin‐binding proteins that regulate dynamics of actin polymerization. It plays a key role in cell motility and invasion. It also interacts with several other proteins notably through its poly‐L‐proline (PLP) binding site. Profilin in apicomplexa is characterized by a unique mini‐domain consisting of a large β‐hairpin extension and an acidic loop which is relatively longer in Plasmodium species. Profilin is essential for the invasive blood stages of Plasmodium falciparum. In the current study, unbound profilins from Plasmodium falciparum (Pf), Toxoplasma gondii (Tg), and Homo sapiens (Hs) were subjected to molecular dynamics (MD) simulations for a timeframe of 100 ns each to understand the conformational dynamics of these proteins. It was found that the β‐hairpin of profilins from Pf and Tg shows a hinge‐like movement. This movement in Pf profilin may possibly be driven by the loss of a salt‐bridge within profilin. The impact of this conformational change on actin binding was assessed by docking three dimensional (3D) structures of profilin from Pf and Tg with their corresponding actins using ClusPro2.0. The stability of docked Pf profilin‐actin complex was assessed through a 50 ns MD simulation. As Hs profilin I does not have the apicomplexa specific mini‐domain, MD simulation was performed for this protein and its dynamics was compared to that of profilins from Pf and Tg. Using an immunoinformatics approach, potential epitope regions were predicted for Pf profilin. This has a potential application in the design of vaccines as they mapped to its unique mini‐domain.
Database of transcription factors in lung cancer (DBTFLC): A novel resource for exploring transcription factors associated with lung cancer
Authors: Amalraj Thabitha , Dravid Ameya A. , Tripathi Riya , Lulu S. Sajitha 
Published: December 2017

AbstractLung cancer is considered as the most prevalent form of cancer and it is found to be frequent cause of cancer related death. Even though, approved molecular targeted therapies other than chemotherapy are currently unavailable, the mechanism of pathogenesis in lung cancer remains still unclear. Transcription factors (TFs) play a critical role in cancer cell processes, such as cell proliferation, apoptosis, migration, and regulate gene expression. Thus, the identification and characterization of transcription factors involved in lung cancer would provide valuable information for further elucidation of the mechanism(s) underlying pathogenesis and the identification of potential therapeutic target types, which are critical for the development of therapeutic strategies. Through an extensive literature survey, we have identified 349 transcription factors noted for their strong involvement in lung cancer. Database of Transcription Factors in Lung Cancer (DBTFLC) was constructed as a data repository and analytical platform for systematic collection, curation of TFs and their interacting partners. The database includes all pertinent information such as lung cancer related TFs, chromosomal location, family, lung cancer type, references, TF‐TF interaction(s), and TF‐target gene interaction(s); thus, it could serve as a valuable resource for therapeutic studies in lung cancer. The database is freely available at http://www.vit.ac.in/files/database/Home.php
PI3K inhibitors IC87114 inhibits the migration and invasion of thyroid cancer cell in vitro and in vivo
Authors: Jiang Yan , Hao Shuai , Tian Wuguo , Gao Bo , Zhang Xiaohua , Zhang Shu , Guo Lingji , Yan Jie , Luo Donglin 
Published: December 2017

AbstractThyroid cancer is currently the most common endocrine malignancies, and PI3K/Akt pathway play an important role during its initiation and development. IC87114 is an inhibitor of PI3K/Akt pathway. Little is known about the role of IC87114 in the initiation and progression of thyroid cancer. Here, we demonstrated that IC87114 significantly inhibited both the migration and invasion of thyroid cancer cells, which can be mediated by inhibition of PI3K/Akt pathway. These results suggest that application of IC87114 may prove to be a particularly effective treatment for thyroid cancer.