bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoswitching the Efficacy of a Small‐Molecule Ligand for a Peptidergic GPCR: from Antagonism to Agonism
Authors: Gómez‐Santacana Xavier , de Munnik Sabrina M. , Vijayachandran Prashanna , Da Costa Pereira Daniel , Bebelman Jan Paul M. , de Esch Iwan J. P. , Vischer Henry F. , Wijtmans Maikel , Leurs Rob 
Published: June 2018

AbstractFor optical control of GPCR function, we set out to develop small‐molecule ligands with photoswitchable efficacy in which both configurations bind the target protein but exert distinct pharmacological effects, that is, stimulate or antagonize GPCR activation. Our design was based on a previously identified efficacy hotspot for the peptidergic chemokine receptor CXCR3 and resulted in the synthesis and characterization of five new azobenzene‐containing CXCR3 ligands. G protein activation assays and real‐time electrophysiology experiments demonstrated photoswitching from antagonism to partial agonism and even to full agonism (compound VUF16216). SAR evaluation suggests that the size and electron‐donating properties of the substituents on the inner aromatic ring are important for the efficacy photoswitching. These compounds are the first GPCR azo ligands with a nearly full efficacy photoswitch and may become valuable pharmacological tools for the optical control of peptidergic GPCR signaling.
Transformation of 14C‐Labeled Graphene to 14CO2 in the Shoots of a Rice Plant
Authors: Huang Chi , Xia Tian , Niu Junfeng , Yang Yu , Lin Sijie , Wang Xiangke , Yang Guoqing , Mao Liang , Xing Baoshan 
Published: June 2018

AbstractThis study focused on using carbon‐14‐labeled few‐layer graphene (FLG) to determine its uptake, distribution, transformation, and depuration in rice plants. After 7 d hydroponic exposure to FLG suspension at 250 μg L−1, roots accumulated 694.8 mg kg−1 graphene and shoots had 53.7 mg kg−1 graphene from intra‐plant translocation. FLG could likely pass through the cell wall and membrane and enter the chloroplast in the shoots. After 14 days of depuration, only about 15 % of the accumulated FLG were eliminated into the depuration solution with about 70 % of graphene retained in the plants. About 9 % of the accumulated FLG was degraded to 14CO2 and proposed that reaction with OH. in the leaves may likely contribute to the degradation of FLG, which had structural defects. These findings have an important impact on the long‐term environmental fate of graphene‐related materials in soil–plant systems.
Sol–Gel Synthesis of Metal–Phenolic Coordination Spheres and Their Derived Carbon Composites
Authors: Wei Jing , Wang Gen , Chen Feng , Bai Min , Liang Yan , Wang Huanting , Zhao Dongyuan , Zhao Yongxi 
Published: June 2018

AbstractA formaldehyde‐assisted metal–ligand crosslinking strategy is used for the synthesis of metal–phenolic coordination spheres based on sol–gel chemistry. A range of mono‐metal (Co, Fe, Al, Ni, Cu, Zn, Ce), bi‐metal (Fe‐Co, Co‐Zn) and multi‐metal (Fe‐Co‐Ni‐Cu‐Zn) species can be incorporated into the frameworks of the colloidal spheres. The formation of coordination spheres involves the pre‐crosslinking of plant polyphenol (such as tannic acid) by formaldehyde in alkaline ethanol/water solvents, followed by the aggregation assembly of polyphenol oligomers via metal–ligand crosslinking. The coordination spheres can be used as sensors for the analysis of nucleic acid variants with single‐nucleotide discrimination, and a versatile precursor for electrode materials with high electrocatalytic performance.
Phthalocyanine‐Assembled Nanodots as Photosensitizers for Highly Efficient Type I Photoreactions in Photodynamic Therapy
Authors: Li Xingshu , Lee Dayoung , Huang Jian‐Dong , Yoon Juyoung 
Published: June 2018

AbstractOwing to their unique, nanoscale related optical properties, nanostructures assembled from molecular photosensitizers (PSs) have interesting applications in phototheranostics. However, most nanostructured PS assemblies are super‐quenched, thus, preventing their use in photodynamic therapy (PDT). Although some of these materials undergo stimuli‐responsive disassembly, which leads to partial recovery of PDT activity, their therapeutic potentials are unsatisfactory owing to a limited ability to promote generation reactive oxygen species (ROS), especially via type I photoreactions (i.e., not by 1O2 generation). Herein we demonstrate that a new, nanostructured phthalocyanine assembly, NanoPcA, has the ability to promote highly efficient ROS generation via the type I mechanism. The results of antibacterial studies demonstrate that NanoPcA has potential PDT applications.
Radical Trifluoromethoxylation of Arenes Triggered by a Visible‐Light‐Mediated N−O Bond Redox Fragmentation
Authors: Jelier Benson J. , Tripet Pascal F. , Pietrasiak Ewa , Franzoni Ivan , Jeschke Gunnar , Togni Antonio 
Published: June 2018

AbstractA simple trifluoromethoxylation method enables non‐directed functionalization of C−H bonds on a range of substrates, providing access to aryl trifluoromethyl ethers. This light‐driven process is distinctly different from conventional procedures and occurs through an OCF3 radical mechanism mediated by a photoredox catalyst, which triggers an N−O bond fragmentation. The pyridinium‐based trifluoromethoxylation reagent is bench‐stable and provides access to synthetic diversity in lead compounds in an operationally simple manner.
Difluorination at Boron Leads to the First Electrophilic Ligated Boryl Radical (NHC‐BF2.)
Authors: Subervie Daniel , Graff Bernadette , Nerkar Swapnil , Curran Dennis P. , Lalevée Jacques , Lacôte Emmanuel 
Published: June 2018

Abstract1,3‐Dimethylimidazol‐2‐ylidene difluoroborane (NHC‐BF2H) was prepared in a one‐pot, two‐step reaction from the parent ligated borane (NHC‐BH3). The derived difluoroboryl radical (NHC‐BF2.) was generated by laser flash photolysis experiments and characterized by UV spectroscopy and rate‐constant measurements. It is transient and reacts quickly with O2. Unusually, it also reacts more rapidly with ethyl vinyl ether than with methyl acrylate. By this measure, it is the first electrophilic ligated boryl radical. Both NHC‐BH3 and NHC‐BF2H serve as co‐initiators in bulk photopolymerizations, converting both electron‐poor and electron‐rich monomers at roughly similar rates. However, the difluorinated coinitiator provides polymers with dramatically increased chain lengths from both monomers.
DFT Calculations, Spectroscopic Studies, Biological Activity and Non Linear Optical Properties (NLO) of Novel Ternary Cu(II)‐Chelates Derived from 5‐Acetyl‐4‐hydroxy‐2H‐1,3‐thiazinedione
Authors: Halim Shimaa Abdel , Adly Omima M.I. 
Published: June 2018

New ternary Cu(II)‐chelates with the general formula [ML L′(H2O)x] (NO3)y x (H2O), x = 0–2 and y = 0–1, (L) = 5‐acetyl‐4‐hydroxy‐2H‐1,3‐thiazine‐2,6(3H)‐dione with in the presence of a secondary ligand (L′) [N,O‐donor; 8 hydroxyquinoline or N,N‐donor; 1,10‐phenanthroline and diethethylendiamine]. Characterization of the synthesized complexes was established based on elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H‐NMR and ESR) as well as thermal gravimetric analysis (TGA). The complexes exhibited octahedral and square planer geometry. The antimicrobial activity for the studied complexes was tested for different kind of organisms. The geometrical and non‐linear optical parameters of the studied complexes 1–3 are investigated theoretically at the B3LYP/GENECP level of theory. The optimized geometries of the studied complexes are non‐planner as indicated from the dihedral angles. The natural charge population (core, valence and Rydberg), exact electronic configuration, total Lewis, and total non‐Lewis is computed and discussed in terms of natural bond orbitals (NBO) analysis. The calculated EHOMO and ELUMO energies at the same level of theory of the studied complexes were used to calculate the global properties; hardness (η), global softness (S), electrophilicity (ω) and electronegativity (χ). The total dipole moment (μtot), total and anisotropy of polarizability (˂α˃), (Δα) and first hyperpolarizability (˂β˃) values were calculated and compared with urea as a reference compound. From the values of the computed first hyperpolarizability (˂β˃), the ligand and the studied complexes show promising optical properties.
WO3 Quantum Dots Decorated GO/Mg‐doped ZnO Composites for Enhanced Photocatalytic Activity under Nature Sunlight
Authors: Zhao Huiyang , Fang Qun , Chen Chuansheng , Chao Zisheng , Tsang Yuenhong , Wu Yiyong 
Published: June 2018

Graphene oxide/Mg‐doped ZnO/tungsten oxide quantum dots composites (WQGOMZ) were prepared through co‐precipitation method, and were studied by X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray photoelectron spectroscopy (XPS), Fluorescence spectra (FL), and UV–vis diffuse reflection spectra. Furthermore, the photocatalytic activity of resultant WQGOMZ was evaluated under nature sunlight. Experimental results showed that WO3QDs can remarkably heighten the photocatalytic activity of GOMZ composite, in which is nearly 6.58 times higher than that of GOMZ composite. Simultaneously, WQGOMZ composites possess optical memory ability and maintain high photocatalytic stability for more than 40 days. The enhanced photocatalytic activity and optical memory ability are attributed to the effective synergistic effect between ZnO and WO3QDs.
Development of novel EST‐SSR markers for Rhododendron longipedicellatum (Ericaceae) and cross‐amplification in two congeners
Authors: Li Taiqiang , Liu Xiongfang , Li Zhenghong , Wan Youming , Liu Xiuxian , Ma Hong 
Published: June 2018

Premise of the StudyTo investigate the genetic background and population characteristics of Rhododendron longipedicellatum (Ericaceae), a newly discovered and critically endangered species, expressed sequence tag–simple sequence repeat markers were developed, and transferability was tested in two congeners, R. molle and R. simsii.Methods and ResultsBased on the transcriptome sequences of R. longipedicellatum, 102 primer sets were designed; 48 primer sets were successfully amplified, with 15 showing polymorphisms in 150 individuals from five extant populations of R. longipedicellatum. The number of alleles per locus ranged from four to 18, and the levels of observed and expected heterozygosity for the 15 loci varied from 0.255 to 0.913 and from 0.306 to 0.851, respectively. All 15 loci were found to amplify in R. molle and R. simsii.ConclusionsThese polymorphic SSR markers can be used in conservation genetic and phylogeographic studies to elucidate the rarity and origin of R. longipedicellatum.
Pheromone‐binding proteins in the Asian gypsy moth females, Lymantria dispar, recognizing the sex pheromone and plant volatiles
Authors: Yu Yanxue , Zhou Ping , Zhang Junhua , Zheng Chao , Zhang Jian , Chen Naizhong 
Published: June 2018

AbstractLepidopterans are known to have different pheromone‐binding proteins with differential expression patterns that facilitate specific signal transduction of semiochemicals. Two PBPs of the Asian gypsy moth, Lymantria dispar, were reported to express in both females and males, but their physiological functions were unknown. Results showed that LdisPBP1 and LdisPBP2 were expressed in the sensilla trichodea of males and the s. trichodea and s. basiconica of females. When LdisPBP1 gene was targeted by RNA interference (RNAi) in males, the expression of LdisPBP1 and LdisPBP2 decreased by 69 and 76%, respectively, and when LdisPBP2 gene was targeted by RNAi, they decreased by 60 and 42%, respectively. In females, after treatment with LdisPBP1 dsRNA, LdisPBP1 and LdisPBP2 levels were reduced by 26 and 69%, respectively, and LdisPBP2 dsRNA reduced the relative expression of them by 4 and 62%, respectively. The expression of LdisPBP1 and LdisPBP2 was interdependent. Electroantennogram (EAG) recordings showed that LdisPBPs participate in the recognition of the sex pheromone in males, and the sex pheromone and plant volatiles in females. The function of LdisPBPs represents the sex‐specific roles.
JAK‐1 Inhibition Suppresses Interferon‐Induced BAFF Production in Human Salivary Gland
Authors: Lee Jaeseon , Lee Jennifer , Kwok Seung‐Ki , Baek SeungYe , Jang Se Gwang , Hong Seung‐Min , Min Jae‐Woong , Choi Sun Shim , Lee Juhyun , Cho Mi‐La , Park Sung‐Hwan 
Published: June 2018

ObjectiveTo examine whether a JAK inhibitor regulates functional responses of human salivary gland epithelial cells (SGECs) and disease parameters in an animal model of Sjögren's syndrome (SS).MethodsCommon differentially expressed genes (DEGs) were analyzed among peripheral blood mononuclear cells from patients with primary SS and other data sets, using blood and SG tissue. Validation of expression in SGs was analyzed by focus score. Inhibition of messenger RNA expression of DEGs and BAFF by filgotinib was analyzed using reverse transcription–polymerase chain reaction in primary SGECs. SG organoid cultures were used to determine the association between DEGs and BAFF via knockdown using small interfering RNAs or to determine regulation of BAFF by JAK inhibitor. Filgotinib (1.5 mg/kg) was intraperitoneally injected into 8‐week‐old NOD/ShiLtJ mice 3 times per week to analyze manifestations of disease. Finally, STAT signaling was assessed in human and mouse SGECs.ResultsExpression of the DEGs IFNG and BAFF increased in SGs from patients with primary SS, as assessed by focus score. There was a significant correlation between IFIT2 and BAFF expression. JAK inhibitor suppressed interferon (IFN)–induced transcription of DEGs and BAFF in human primary SGECs. Knockdown of DEGs or inhibition of JAK caused reduced secretion of BAFF in human SG organoid cultures. In addition, filgotinib‐treated mice exhibited increased salivary flow rates and marked reductions in lymphocytic infiltration of SGs. JAK inhibitor regulated IFNα‐ and IFNγ‐induced pSTAT‐1Y701, pSTAT‐3Y705, and protein inhibitor of activated STAT‐3 (PIAS‐3) in human SGECs as well as IFNγ‐induced pSTAT‐1Y701, pSTAT‐3S727, and PIAS‐1 in mouse SGECs.ConclusionJAK inhibition controls aberrant activation of SGECs and may be a novel therapeutic approach for primary SS.
Ordering of series and parallel systems comprising heterogeneous generalized modified Weibull components
Authors: Balakrishnan Narayanaswamy , Nanda Phalguni , Kayal Suchandan 
Published: June 2018

AbstractIn this paper, we deal with comparisons of the smallest and largest order statistics arising from independent heterogeneous generalized modified Weibull random variables in terms of various stochastic orderings. The main results established here are based on (i) vector majorization of parameters and (ii) multivariate chain majorization with heterogeneity in two and three parameters.
Toleranzanforderungen bei langen kombinierten Spundwänden
Authors: Grabe Jürgen , Osthoff David 
Published: June 2018

AbstractDie „wichtigste Vorsorgemaßnahme gegen Schlossschäden“ ist gemäß EAU 2012 die lagetreue Einbringung der Tragelemente von kombinierten Spundwänden. Toleranzen für kombinierte Spundwände sind nicht allgemein festgelegt und für jede Baumaßnahme gesondert zu vereinbaren.Heutige Konstruktionen mit kombinierten Spundwänden unterliegen zunehmend erhöhten Anforderungen in Form von großen Geländesprüngen und hohen Wasserüberdrücken. Gerade im Hinblick auf die damit verbundenen Profillängen und die erhöhten Beanspruchungen der Spundwandschlösser während der Herstellung sind die derzeitigen Toleranzangaben und Bewertungskriterien zum Einbau der Zwischenbohlen oftmals unzureichend.In diesem Beitrag wird die beschriebene Problematik dargestellt und im Hinblick auf Überwachung, Ausführungskontrollen und Lösungsansätze diskutiert.
Disposable luciferase‐based microfluidic chip for rapid assay of water pollution
Authors: Denisov Ivan , Lukyanenko Kirill , Yakimov Anton , Kukhtevich Igor , Esimbekova Elena , Belobrov Peter 
Published: June 2018

AbstractIn the present study, we demonstrate the use of a disposable luciferase‐based microfluidic bioassay chip for environmental monitoring and methods for fabrication. The designed microfluidic system includes a chamber with immobilized enzymes of bioluminescent bacteria Photobacterium leiognathi and Vibrio fischeri and their substrates, which dissolve after the introduction of the water sample and thus activate bioluminescent reactions. Limits of detection for copper (II) sulfate, 1,3‐dihydroxybenzene and 1,4‐benzoquinone for the proposed microfluidic biosensor measured 3 μM, 15 mM, and 2 μM respectively, and these values are higher or close to the level of conventional environmental biosensors based on lyophilized bacteria. Approaches for entrapment of enzymes on poly(methyl methacrylate) (PMMA) plates using a gelatin scaffold and solvent bonding of PMMA chip plates under room temperature were suggested. The proposed microfluidic system may be used with some available luminometers and future portable luminescence readers.
Vacuolar ATPase as a potential therapeutic target and mediator of treatment resistance in cancer
Authors: Whitton Bradleigh , Okamoto Haruko , Packham Graham , Crabb Simon J. 
Published: June 2018

AbstractVacuolar ATPase (V‐ATPase) is an ATP‐dependent H+‐transporter that pumps protons across intracellular and plasma membranes. It consists of a large multi‐subunit protein complex and influences a wide range of cellular processes. This review focuses on emerging evidence for the roles for V‐ATPase in cancer. This includes how V‐ATPase dysregulation contributes to cancer growth, metastasis, invasion and proliferation, and the potential link between V‐ATPase and the development of drug resistance.
Mosaic variegated aneuploidy syndrome caused by a CEP57 mutation diagnosed by whole exome sequencing
Authors: Brightman Diana S. , Ejaz Sehar , Dauber Andrew 
Published: June 2018

Key Clinical MessageThis case highlights an important lesson for laboratory genetic testing. Geneticists and Genetic Counselors should be aware that although rare, mosaic variegated aneuploidy should be considered if mosaic aneuploidies are observed on karyotype, particularly in the context of short stature.
Acute respiratory syndrome following accidental inhalation of mercury vapor
Authors: Cortes Jorge , Peralta Jaime , Díaz‐Navarro Rienzi 
Published: June 2018

Key Clinical MessageAlthough the manufacture of glass mercury thermometers is now prohibited, they are still present in daily life and represent a source of accidental mercury intoxication. Physicians should be able to recognize the clinical manifestations of mercury poisoning caused by accidental exposure and know the appropriate treatment for this toxicological emergency.
Nickel‐based Catalysts for High‐temperature Water Gas Shift Reaction‐Methane Suppression
Authors: Ashok Jangam , Wai Ming Hui , Kawi Sibudjing 
Published: June 2018

AbstractThis article provides a critical review of Ni‐based catalysts employed in high temperature and ultra‐high temperature water gas shift reaction (WGS) for hydrogen production and methane suppression. The promotional role of nature and type of active metal and support for WGS reaction is discussed with respect to activity and selectivity. This review mainly covers the recent strategic catalytic formulations like promotion with alkali metals, alloying with another metal and core@‐shell‐like structures for suppressing methanation during WGS reaction. The change in nature and strength of CO adsorption over modified Ni‐surfaces is discussed using available in situ CO‐DRIFTS results. The various WGS reaction and CO methanation pathways are also presented together with insights gained from computational DFT studies.
Modification of Cu/SiO2 Catalysts by La2O3 to Quantitatively Tune Cu+‐Cu0 Dual Sites with Improved Catalytic Activities and Stabilities for Dimethyl Ether Steam Reforming
Authors: Huang Jingjing , Ding Tong , Ma Kui , Cai Jinmeng , Sun Zhirui , Tian Ye , Jiang Zheng , Zhang Jing , Zheng Lirong , Li Xingang 
Published: June 2018

AbstractDimethyl ether steam reforming (DME SR) is a promising route to provide H2 for on‐board H2‐based fuel cells. Herein, we synthesized the La2O3‐modified Cu/SiO2 catalyst with dual copper species of Cu0 and Cu+ for DME SR, which exhibits both the high catalytic performance and long‐term stability. The strong electron donor‐acceptor interaction between the lanthanum and copper species occurs after reduction of the catalysts, which is an essential factor to quantitatively determine the ratio of Cu+/(Cu0+Cu+). The addition of La can improve the dispersion of both metallic Cu and Cu2O on the catalysts, as well. After modulating the ratio of Cu+/(Cu0+Cu+) to ∼0.5 by varying the La loading, we achieved the highest activity and lowest CO selectivity. After the durability tests, the results of TEM, EXAFS, and XPS reveal that the addition of La on the Cu/SiO2 catalysts not only stabilizes the copper species from aggregation, especially for the metallic Cu, but also avoids over‐reduction of the Cu+ species to Cu0. The constant ratio of Cu+/(Cu0+Cu+) on the La‐modified Cu/SiO2 catalyst ensures the high catalytic stability in DME SR.
Fabrication of Fe2C Embedded in Hollow Carbon Spheres: a High‐Performance and Stable Catalyst for Fischer‐Tropsch Synthesis
Authors: Teng Xinsheng , Huang Shouying , Wang Jian , Wang Hongyu , Zhao Qiao , Yuan Yong , Ma Xinbin 
Published: June 2018

AbstractThe Fischer−Tropsch synthesis (FTS) is a non‐petroleum‐based alternative route, which directly produces fuels and value‐added chemicals (e. g. lower olefins) from coal‐, biomass‐ or natural gas‐derived syngas. The ϵ‐iron carbide, such as Fe2C, has been predicted to be active but not stable under high‐temperature FTS conditions. In this work, we have fabricated a novel catalyst with Fe2C embedded in hollow carbon spheres (HCS) by pyrolyzing the coated polymer and Fe(NO3)3 on silica spheres and then etching the hard template. XRD, XPS, TEM and N2 physical adsorption were employed to characterize the evolution and properties of as‐prepared catalysts, which significantly depend on pyrolysis temperature. Under FTS conditions, the obtained catalysts exhibit good dispersion, robustness of geometric construction, and resistance to sintering. More importantly, Fe2C was confirmed as the dominant and stable iron carbide species. The unique chemical surrounding and confinement effect provided by carbon matrix contribute to these peculiarities that are responsible for superior activity and stability in FTS. Furthermore, we found that the products distribution could be manipulated by changing the geometric diameters of HCS, due to the tunable CO/H2 ratio.