bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of heated‐air blanket on the dispersion of squames in an operating room
Authors: He X. , Karra S. , Pakseresht P. , Apte S. V. , Elghobashi S.
Published: January 2018

High‐fidelity, predictive fluid flow simulations of the interactions between the rising thermal plumes from forced air warming blower and the ultra‐clean ventilation air in an operating room (OR) are conducted to explore whether this complex flow can impact the dispersion of squames to the surgical site. A large‐eddy simulation, accurately capturing the spatiotemporal evolution of the flow in 3 dimensions together with the trajectories of squames, is performed for a realistic OR consisting of an operating table (OT), side tables, surgical lamps, medical staff, and a patient. Two cases are studied with blower‐off and blower‐on together with Lagrangian trajectories of 3 million squames initially placed on the floor surrounding the OT. The large‐eddy simulation results show that with the blower‐off, squames are quickly transported by the ventilation air away from the table and towards the exit grilles. In contrast, with the hot air blower turned on, the ventilation airflow above and below the OT is disrupted significantly. The rising thermal plumes from the hot air blower drag the squames above the OT and the side tables and then they are advected downwards toward the surgical site by the ventilation air from the ceiling. Temporal history of the number of squames reaching 4 imaginary boxes surrounding the side tables, the OT, and the patient's knee shows that several particles reach these boxes for the blower‐on case.
Nanoparticle Probes for Super‐Resolution Fluorescence Microscopy
Authors: Lin Youhui , Nienhaus Karin , Nienhaus Gerd Ulrich
Published: January 2018

The Abbe resolution limit of ∼200 nm of conventional light‐optical microscopy greatly restricts the observation of subcellular processes. This Abbe resolution barrier has been surpassed by super‐resolution fluorescence microscopy methods that use time as an additional dispersing dimension. Light irradiation can be employed to externally control the emission properties of the luminescent markers, or spontaneous fluctuations of the emission of individual emitters can be analyzed. Here we review the development and application of light‐emitting nanoscale particles for super‐resolution imaging and discuss their (photo)physical and (photo)chemical characteristics to offer guidance in the selection of the optimal nanoparticle marker for an intended super‐resolution imaging experiment.
CoderLabs: A cloud‐based platform for real‐time online labs with user collaboration
Authors: Touhafi Abdellah , Braeken An , Tahiri Abderrahim , Zbakh Mostapha
Published: January 2018

In this paper, we describe the architecture of a collaborative and real‐time environment for remote experiments. We also introduce a web‐based remote lab composer, which allows the interconnection and exchange of data between remote laboratories. The environment is created with web standards as HTML5 such that no plug‐in needs to be installed by the user. Users are able to use the remote lab simultaneously and in collaboration. This collaboration between users is made feasible by adopting a message broker. We will discuss how Google Coder is used to develop, change, or create a user interface for a remote experiment and how the labs can be shared in the cloud. Our newest addition to this research consists of a drag and drop lab composer, which allows Lab‐developers to use standard widgets, data‐visualization tools, and data‐ports to compose complex remote labs. A lab‐composer engine is developed to automate the coupling of the physical instances and collect the data to be visualized. The principles behind our lab‐composer engine are explained in the last part of the paper.
Intelligent vehicle navigation system with assistance and alerting capabilities
Authors: Vochin Marius , Zoican Sorin , Borcoci Eugen
Published: January 2018

Navigation assistance systems are aiming to improve safety and provide traffic optimization and have become more and more popular in a modern vehicular technology. The reason is given by the significant traffic increase and numerous congestion events in large cities, large complexity of road infrastructure, and unexpected or hazardous conditions that can be found on roads. This paper proposes an innovative navigation system solution that intelligently gathers traffic data provided by integrated car sensors and/or onboard security systems and uses it to warn other participants. System concepts, architecture, design, implementation, and performance evaluation aspects are presented, and tasks organization for an embedded cost‐effective implementation using a real‐time kernel is illustrated.
Special issue on social network security and privacy
Authors: Kutylowski Miroslaw , Wang Yu , Xu Shouhuai , Yang Laurence T.
Published: January 2018

This special issue contains 28 full papers selected from the Computer Animation
Boosting the NMR Assignment of Carbohydrates with Clean In‐Phase Correlation Experiments
Authors: Gyöngyösi Tamás , Timári István , Haller Jens , Koos Martin R. M. , Luy Burkhard , Kövér Katalin E.
Published: January 2018

Novel CLIP‐COSY based homo‐ and heteronuclear correlation experiments are reported for the rapid, semi‐automated NMR assignment of small to medium‐sized molecules. The homonuclear CLIP‐COSY and corresponding relayed experiments employ the perfect‐echo based mixing sequence for in‐phase coherence transfer between directly and/or indirectly coupled proton spins. The combined analysis of the resulting CLIP‐COSY and relayed spectra made it possible to easily track down, layer by layer, the proton–proton connectivity network. In larger molecules the narrow chemical shift range of protons may, however, compromise the efficacy of the homonuclear correlation based assignment strategy. To overcome this limitation, an HSQC variant of the CLIP‐COSY experiment has now been devised. Combined treatment of HSQC‐CLIP‐COSY (relayed) and standard HSQC spectra facilitates simultaneous and semi‐automatic assignment of 1H and 13C resonances of medium‐sized molecules, such as pentasaccharides. The recently introduced PSYCHE broadband homonuclear decoupling scheme has been also implemented into the devised homo‐ and heteronuclear CLIP‐COSY based experiments, resulting in fully decoupled high‐resolution pure‐shift correlation spectra.
Methylation of Polyols with Trimethylphosphate in the Presence of a Lewis or Brønsted Acid Catalyst
Authors: Duclos Marie‐Christine , Herbinski Aurélien , Mora Anne‐Sophie , Métay Estelle , Lemaire Marc
Published: January 2018

The alkylation of alcohols and polyols has been investigated with alkylphosphates in the presence of a Lewis or Brønsted acid catalyst. The permethylation of polyols was developed under solvent‐free conditions at 100 °C with either iron triflate or Aquivion PW98, affording the isolated products in yields between 52 and 95 %. The methodology was also adjusted to carry out peralkylation with longer alkyl chains.
A standardized flow cytometry procedure for the monitoring of regulatory T cells in clinical trials
Authors: Pitoiset Fabien , Barbié Michèle , Monneret Guillaume , Braudeau Cécile , Pochard Pierre , Pellegrin Isabelle , Trauet Jacques , Labalette Myriam , Klatzmann David , Rosenzwajg Michelle
Published: January 2018

Background

Quantification of regulatory T cells (Tregs) is crucial in immunomonitoring in clinical trials as this cell population has been shown to be involved in a wide range of diseases, including cancers, autoimmune diseases, infections, and allergies. Human Tregs are defined as CD4+ CD25+ CD127low FoxP3+ cells, and the standardization of their staining by flow cytometry is a challenge, especially in multicenter clinical trials, notably because of the intracellular location of FoxP3.

Method

A flow cytometry staining procedure was settled and standardized to measure human Tregs in peripheral whole blood using precoated dried antibodies in ready‐to‐use tubes. It was compared with reference methods and implemented and validated to be suitable with different cytometer platforms.

Results

The standardized protocol developed with dried antibodies and reduced volumes of whole blood allows an optimal identification of Tregs. Compared with classical staining procedure, it reduces the number of steps required, in a very fast and simple technique. The accuracy of the method was confirmed by a multicenter comparison with different cytometer brands.

Conclusions

Our results highlight the reliability of this high‐standard protocol that could become a reference method for the monitoring of Tregs in clinical trials. © 2018 International Clinical Cytometry Society
Tracking the effects of dyslexia in reading and spelling development: A longitudinal study of Greek readers
Authors: Diamanti Vassiliki , Goulandris Nata , Stuart Morag , Campbell Ruth , Protopapas Athanassios
Published: January 2018

In this study, we followed Greek children with and without dyslexia for 18 months, assessing them twice on a battery of phonological, reading, and spelling tasks, aiming to document the relative progress achieved and to uncover any specific effects of dyslexia in the development of reading and spelling beyond the longitudinal associations among variables that are observed in typical readers. A wide‐ranging match was achieved between the dyslexic group and the younger reading‐matched comparison group, enabling longitudinal comparisons on essentially identical initial performance profiles. Group differences were found in the development of tasks relying on phonological processing skill, such as phoneme deletion in pseudowords, pseudoword reading accuracy and time, as well as in graphemic spelling accuracy. The results confirm findings from cross‐sectional studies of reading difficulty in the relatively transparent Greek orthography and are consistent with a phonological processing deficit underlying and reciprocally interacting with underdevelopment of reading and spelling skills in the impaired population.
Random species loss underestimates dilution effects of host diversity on foliar fungal diseases under fertilization
Authors: Liu Xiang , Chen Fei , Lyu Shengman , Sun Dexin , Zhou Shurong
Published: January 2018

With increasing attention being paid to the consequences of global biodiversity losses, several recent studies have demonstrated that realistic species losses can have larger impacts than random species losses on community productivity and resilience. However, little is known about the effects of the order in which species are lost on biodiversity–disease relationships. Using a multiyear nitrogen addition and artificial warming experiment in natural assemblages of alpine meadow vegetation on the Qinghai‐Tibetan Plateau, we inferred the sequence of plant species losses under fertilization/warming. Then the sequence of species losses under fertilization/warming was used to simulate the species loss orders (both realistic and random) in an adjacently novel removal experiment manipulating plot‐level plant diversity. We explicitly compared the effect sizes of random versus realistic species losses simulated from fertilization/warming on plant foliar fungal diseases. We found that realistic species losses simulated from fertilization had greater effects than random losses on fungal diseases, and that species identity drove the diversity–disease relationship. Moreover, the plant species most prone to foliar fungal diseases were also the least vulnerable to extinction under fertilization, demonstrating the importance of protecting low competence species (the ability to maintain and transmit fungal infections was low) to impede the spread of infectious disease. In contrast, there was no difference between random and realistic species loss scenarios simulated from experimental warming (or the combination of warming and fertilization) on the diversity–disease relationship, indicating that the functional consequences of species losses may vary under different drivers.
Multiscale landscape genomic models to detect signatures of selection in the alpine plant Biscutella laevigata
Authors: Leempoel Kevin , Parisod Christian , Geiser Céline , Joost Stéphane
Published: January 2018

Plant species are known to adapt locally to their environment, particularly in mountainous areas where conditions can vary drastically over short distances. The climate of such landscapes being largely influenced by topography, using fine‐scale models to evaluate environmental heterogeneity may help detecting adaptation to micro‐habitats. Here, we applied a multiscale landscape genomic approach to detect evidence of local adaptation in the alpine plant Biscutella laevigata. The two gene pools identified, experiencing limited gene flow along a 1‐km ridge, were different in regard to several habitat features derived from a very high resolution (VHR) digital elevation model (DEM). A correlative approach detected signatures of selection along environmental gradients such as altitude, wind exposure, and solar radiation, indicating adaptive pressures likely driven by fine‐scale topography. Using a large panel of DEM‐derived variables as ecologically relevant proxies, our results highlighted the critical role of spatial resolution. These high‐resolution multiscale variables indeed indicate that the robustness of associations between genetic loci and environmental features depends on spatial parameters that are poorly documented. We argue that the scale issue is critical in landscape genomics and that multiscale ecological variables are key to improve our understanding of local adaptation in highly heterogeneous landscapes.
Meta‐barcoding insights into the spatial and temporal dietary patterns of the threatened Asian Great Bustard (Otis tarda dybowskii) with potential implications for diverging migratory strategies
Authors: Liu Gang , Shafer Aaron B. A. , Hu Xiaolong , Li Linhai , Ning Yu , Gong Minghao , Cui Lijuan , Li Huixin , Hu Defu , Qi Lei , Tian Hengjiu , Wang Bojun
Published: January 2018

Food resources are often not sufficient to satisfy the nutritional and energetic requirements during winter conditions at high latitudes. Dietary analysis is a prerequisite to fully understanding the feeding ecology of a species and the nature of trophic interactions. Previous dietary studies of Asian Great Bustard (Otis tarda dybowskii) relied on behavioral observations, resulting in categorization of diet limited to broad taxonomic groupings. Here, we applied a high‐throughput sequencing meta‐barcoding approach to quantify the diet of resident and migratory Asian Great Bustard in three wintering sites during early winter and late winter. We detected 57 unique plant taxa in the bustard diet, among which 15 species were confirmed by a local plant database we generated. Both agricultural and natural foods were detected, indicating a relatively broad dietary niche. Spatiotemporal dietary changes were discovered, revealing diet differences among wintering sites and a general shift toward lower plant diversity later in winter. For the nonmigratory population, we detected a significantly more diverse array of plant species in their diet. We hypothesize that dietary variation between resident and migratory populations could be involved in the recent transition to partial migration in this species, although climate change can not be excluded. Collectively, these results support protecting unharvested grain fields and naturally unplowed lands to help conserve and promote population growth of Asian Great Bustard.
Transcriptome response of Atlantic salmon (Salmo salar) to competition with ecologically similar non‐native species
Authors: He Xiaoping , Houde Aimee Lee S. , Neff Bryan D. , Heath Daniel D.
Published: January 2018

Non‐native species may be introduced either intentionally or unintentionally, and their impact can range from benign to highly disruptive. Non‐native salmonids were introduced into Lake Ontario, Canada, to provide recreational fishing opportunities; however, the establishment of those species has been proposed as a significant barrier to the reintroduction of native Atlantic salmon (Salmo salar) due to intense interspecific competition. In this study, we compared population differences of Atlantic salmon in transcriptome response to interspecific competition. We reared Atlantic salmon from two populations (LaHave River and Sebago Lake) with fish of each of three non‐native salmonids (Chinook salmon Oncorhynchus tshawytscha, rainbow trout O. mykiss, and brown trout S. trutta) in artificial streams. We used RNA‐seq to assess transcriptome differences between the Atlantic salmon populations and the responses of these populations to the interspecific competition treatments after 10 months of competition in the stream tanks. We found that population differences in gene expression were generally greater than the effects of interspecific competition. Interestingly, we found that the two Atlantic salmon populations exhibited similar responses to interspecific competition based on functional gene ontologies, but the specific genes within those ontologies were different. Our transcriptome analyses suggest that the most stressful competitor (as measured by the highest number of differentially expressed genes) differs between the two study populations. Our transcriptome characterization highlights the importance of source population selection for conservation applications, as organisms with different evolutionary histories can possess different transcriptional responses to the same biotic stressors. The results also indicate that generalized predictions of the response of native species to interactions with introduced species may not be appropriate without incorporating potential population‐specific response to introduced species.
Meandering Coplanar Line Type Thin‐Film Magnetic Field Sensor with Direct Bias
Authors: YABUKAMI SHIN , UETAKE HIROAKI , MORIYA KENTA , TOMINAMI TSUYOSHI , ONODERA HIDEHIKO
Published: January 2018

We propose a new simple method to directly apply dc current to the CoNbZr/Cu film of a sensor. A very sensitive thin‐ film sensor was developed using a meandering coplanar line with biasing conductors fabricated from SrTiO film (0.75 μm thick), amorphous Co85Nb12Zr3 film (1.0 mm × 2.45 mm, 1 μm thick) and Cu/Cr film (2 μm/0.1 μm). We discuss direct bias to CoNbZr film and Cu film under a CoNbZr film and compare it with an application of bias magnetic field. Good sensitivity (phase change over 100 degrees/Oe) was obtained by the proposed method.
Observed trends of soil fauna in the Antarctic Dry Valleys: early signs of shifts predicted under climate change
Authors: Andriuzzi W. S. , Adams B. J. , Barrett J. E. , Virginia R. A. , Wall D. H.
Published: January 2018

Long‐term observations of ecological communities are necessary for generating and testing predictions of ecosystem responses to climate change. We investigated temporal trends and spatial patterns of soil fauna along similar environmental gradients in three sites of the McMurdo Dry Valleys, Antarctica, spanning two distinct climatic phases: a decadal cooling trend from the early 1990s through the austral summer of February 2001, followed by a shift to the current trend of warming summers and more frequent discrete warming events. After February 2001, we observed a decline in the dominant species (the nematodeScottnema lindsayae) and increased abundance and expanded distribution of less common taxa (rotifers, tardigrades, and other nematode species). Such diverging responses have resulted in slightly greater evenness and spatial homogeneity of taxa. However, total abundance of soil fauna appears to be declining, as positive trends of the less common species so far have not compensated for the declining numbers of the dominant species. Interannual variation in the proportion of juveniles in the dominant species was consistent across sites, whereas trends in abundance varied more. Structural equation modeling supports the hypothesis that the observed biological trends arose from dissimilar responses by dominant and less common species to pulses of water availability resulting from enhanced ice melt. No direct effects of mean summer temperature were found, but there is evidence of indirect effects via its weak but significant positive relationship with soil moisture. Our findings show that combining an understanding of species responses to environmental change with long‐term observations in the field can provide a context for validating and refining predictions of ecological trends in the abundance and diversity of soil fauna.
Spontaneous Bicyclometalation of a Single Cobalt(I) Complex Stabilized by a δ‐C–H Agostic Interaction
Authors: Beck Robert , Camadanli Sebnem , Klein Hans‐Friedrich
Published: January 2018

CoCH3(PMe3)4is known for a long time for its potential to activate less reactive C–H Bonds under extremely mild conditions by methane elimination. A spontaneous second C–H bond activation at the same center of cobalt complex is not expected. In contrast to previous investigations with certain aryl‐iminophosphane chelating ligands, in this work two consecutive metalation steps at the same complex center lead to a rare example of a cobalt metallabicycle. In the first step a C–H activation results in a five‐membered chelate ring, whereas the second ring is formed by an incomplete C–H activation which stops at a stable, rarely observed δ‐C–H agostic interaction. The results are supported by NMR spectroscopy, X ray structure analysis and density functional theory (DFT) calculations. Knowledge of such agostic interactions are essential in order to understand catalytic reaction paths and studies of such molecular structures of their ring sizes, bite angles and electronic properties have shown that these ligands allow sensitive control within the metal coordination sphere.
Recent Progress in Ethylene Polymerization Catalyzed by Ni and Pd Catalysts
Authors: Wang Jun , Wang Li , Yu Haojie , Ullah Raja Summe , Haroon Muhammad , Zain‐ul‐Abdin  , Xia Xia , Khan Rizwan Ullah
Published: January 2018

Ethylene polymerization catalyzed by Ni and Pd catalysts is an area of great interest both in academic research and for industrial production. The structures of Ni and Pd catalysts can dramatically influence polymerization performance. In this review, the influence of newly reported Ni and Pd catalysts on ethylene polymerization, from ligand effects to metal–metal cooperativity, as well as the polymerization conditions, are discussed to provide fresh guidelines for rational design of high‐performances catalysts, highly efficient study of polymerization mechanisms, and successful synthesis of PE variants with unique microstructures and properties.
Zinc Dihydride and Mixed Halo Hydrides Supported by an N‐Heterocyclic Carbene
Authors: Rit Arnab , Wiegand Ann‐Kristin , Mukherjee Debabrata , Spaniol Thomas P. , Okuda Jun
Published: January 2018

A series of zinc dihalides [(IMes)ZnX2] [X = Cl (1a) Br (1b), I (1c); IMes = 1,3‐bis(2,4,6‐trimethylphenyl)imidazolin‐2‐ylidene] is reported. The iodide 1c underwent salt metathesis with NaH as an alternative synthesis of [(IMes)ZnH2]2 (2). 2 readily reacted with (tBu)NCO and Ph2CO under Zn‐H insertion to give [(IMes)Zn(tBuNCHO‐κN)2] (3) and [(IMes)Zn(OCHPh2)2] (4), respectively. Ph2S2 and I2 oxidized the hydride ligands in 2 to give dihydrogen and [(IMes)Zn(SPh)2] (5) and 1c, respectively. A series of mixed halo hydrides [(IMes)Zn(X)(H)]2 [X = Cl (6a), Br (6b), I (6c)] was obtained upon comproportionating 2 with 1a–c. The new compounds were fully characterized, including X‐ray crystallographic analysis of 3 and 6b.
Synthesis of Symmetric and Nonsymmetric NiII Thiophosphinito PECSP (E = S, O) Pincer Complexes and Their Applications in Kumada Coupling under Mild Conditions
Authors: Hasche Patrick , Joksch Markus , Vlachopoulou Georgia , Agarwala Hemlata , Spannenberg Anke , Beweries Torsten
Published: January 2018

The reaction of 1,3‐dimercaptobenzene with iPr2PCl in the presence of the base NaH, furnishes the symmetric ligand [C6H4‐1,3‐(SPiPr2)2] (1a). The direct reaction of this ligand as well as of the literature‐known nonsymmetric ligand [C6H4‐1‐(SPiPr2)‐3‐(OPiPr2)] (1b) with NiCl2 affords the symmetric bis(thiophosphinito) PSCSP pincer complex [{C6H3‐2,6‐(SPiPr2)2}NiCl] (2a) as well as the phosphinito–thiophosphinito POCSP pincer complex [{C6H3‐2‐(SPiPr2)‐6‐(OPiPr2)}NiCl] (2b). Both complexes were fully characterised and their catalytic performance in Kumada coupling of aryl halides and p‐tolylmagnesium bromide under mild conditions was evaluated.
Enhancing the Catalytic Performance of Candida antarctica Lipase B by Immobilization onto the Ionic Liquids Modified SBA‐15
Authors: Zhong Nanjing , Li Yue , Cai Chunsheng , Gao Yongqing , Liu Ning , Liu Guoqin , Tan Wenying , Zeng Yaoying
Published: January 2018

In this study, mesoporous silica SBA‐15 is modified by imidazole based ionic liquids (IL) with three different side‐chain length of cations and two different anions. Prepared supports (IL‐SBA‐15) are characterized by small‐angle powder X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS) as well as Fourier transform infrared (FT‐IR), and then used to immobilize Candida antarctica lipase B (CALB). The enzymatic properties of the obtained IL‐SBA‐15‐CALB are evaluated, and the catalytic selectivity toward diacylglycerols (DAG) production in glycerolysis of triacylglycerols (TAG) reaction is also studied. Compared with the parent SBA‐15 immobilized CALB (SBA‐15‐CALB), the IL modification gives a maximum improvement of enzymatic activity from 1855 to 5044 U g−1; in addition, the selectivity toward the diacylglycerols (DAG) production also increases, with the DAG/MAG ratio increasing from 3.72 to 11.99, and the DAG content increasing from 53.6 to 67.2 wt%.

Practical applications: Immobilization of lipases facilitates the separation of products and the recovery of lipases for reuse. The present study shows that CALB immobilized on the IL modified SBA‐15 is potential for DAG production through glycerolysis, due to its considerable reusability as well as its high glycerolysis activity and selectivity toward DAG production, it could be considered for practical applications.

Glycerolysis of corn oil catalyzed by ionic liquids modified SBA‐15 supports CALB to produce diacylglycerols. SBA‐15 is modified by ionic liquids, and then employed as carrier for Candida antarctica lipase B (CALB) immobilization. The obtained solid lipases are used to catalyze glycerolysis for diacylglycerols (DAG) production. Compared with the parent SBA‐15 immobilized CALB (SBA‐15‐CALB), ionic liquids modification gives a maximum improvement of enzymatic activity from 1855 to 5044 U g−1; in addition, the selectivity toward the DAG production is also increased, with the DAG/MAG ratio increasing from 3.72 to 11.99, and the DAG content increasing from 53.6 to 67.2 wt%.
Highly Efficient Catalytic Oxidation of Inert C(sp3)–H Bonds by the Synergistic Effect of Copper Nanoparticles/N‐Doped Graphene
Authors: Sun Wei , Gao Lingfeng , Feng Xue , Sun Xu , Zheng Gengxiu
Published: January 2018

The applicability of Cu is still limited in the heterogeneous catalytic oxidation of C(sp3)–H bonds. This problem was resolved by exploiting the synergistic effect existing between Cu nanoparticles (Cu NPs) and N‐doped graphene. We demonstrate a highly efficient, green protocol for the catalytic oxidation of inert C(sp3)–H bonds with only oxygen as the oxidant catalyzed by Cu NPs/N‐doped graphene (Cu‐N‐rGO). The new composite materials were obtained through a very simple one‐pot solvothermal process. Remarkably, newly prepared Cu‐N‐rGO showed 34.5 % conversion and 89.2 % selectivity for the catalytic oxidation of cyclohexane to KA oil [mixture of cyclohexanone (K) and cyclohexanol (A)] in a single cycle and thus exhibited significantly higher efficiency than the N‐free Cu catalysts. Cu‐N‐rGO has good stability because the doped nitrogen atoms allow strong interactions between the Cu species and graphene, so that the conversion and selectivity can be maintained over five runs. The delicate relationship between the Cu NPs and nitrogen was investigated by accurate control of the ratio of nitrogen and Cu in doped graphene. A hypothesized free‐radical chain mechanism and a peroxidative oxidation process were proven and explained, and the synergistic effect of the Cu NPs and N‐doped graphene in facilitating the oxidation process was also elucidated.
Purified mCPBA, a Useful Reagent for the Oxidation of Aldehydes
Authors: Horn Alexander , Kazmaier Uli
Published: January 2018

Purified mCPBA is a useful reagent for the oxidation of several classes of aldehyde. Although linear unbranched aliphatic aldehydes are oxidized to the corresponding carboxylic acids, α‐branched ones undergo Baeyer–Villiger oxidation to formates. α‐Branched α,β‐unsaturated aldehydes provide enolformates and/or epoxides, which can be saponified to α‐hydroxy ketones with shortening of the carbon chain by 1 carbon. Unbranched α,β‐unsaturated aldehydes undergo an interesting Baeyer–Villiger oxidation/epoxidation/formate migration/BV oxidation cascade, which results in formyl‐protected hydrates with an overall loss of two carbon atoms.
Domino Reaction of Naphthoquinone and β‐Arylpyruvic Acids: Synthesis of 3‐(Naphthoquinonyl)naphthofuran‐2(3H)‐ones
Authors: Ortiz‐Rojano Laura , Martínez‐Mingo Mario , García‐García Carolina , Ribagorda María , Carreño M. Carmen
Published: January 2018

Unprecedented reactivity between naphthoquinone and β‐aryl‐α‐keto acids has been uncovered. The process combined the redox properties of the Michael‐type naphthoquinone acceptor with arylpyruvic acid, which is acting first as a C3‐donor pro‐nucleophile and later as an acylating agent. As a result, densely substituted naphthofuran‐2(3H)‐ones were generated in a mild and simple one‐pot reaction.
Influence of emotional valence on perceived psychological distance depends on emotional intensity
Authors: Mei Dongmei , Li Liman Man Wai , Wang Yiheng
Published: January 2018

Previous findings regarding the relationship between emotional valence and psychological distance were mixed. The current research examined whether emotional intensity moderates the influence of emotional valence on psychological distance. We manipulated intensity and valence by asking participants to describe a positive or negative event from either a high intensity or low intensity perspective. Studies 1 and 2 revealed that negative events were perceived to be more distant than positive events in the low‐intensity condition in two distinct cultural groups. Study 3 further proved that the obtained patterns were generalizable to different emotions. Finally, Study 4 found that a reduced alert level, but not perceived threats, mediated the interactive effects of valence and intensity on psychological distance. This research highlights the importance of considering the joint effect of different dimensions of emotion, thus advancing the understanding of complex processes of emotion.
Studies of Electrode Reactions and Coordination Geometries of Cu(I) and Cu(II) Complexes with Bicinchoninic Acid
Authors: Chen Dinglong , Wang Xiaoying , He Yonghui , Kai Tianhan , Li Zhiqiang , Xiang Juan , Jiang Dianlu , Zhou Feimeng
Published: January 2018

Bicinchoninic acid (BCA) is widely used for determining the valence state of copper in biological systems and quantification of the total protein concentration (BCA assay). Despite its well‐known high selectivity of Cu(I) over Cu(II), the exact formation constants for Cu(I)(BCA)23− and Cu(II)(BCA)22− complexes remain uncertain. These uncertainties, affect the correct interpretations of the roles of copper in biological processes and the BCA assay data. By studying the voltammetric behaviors of Cu(I)(BCA)23− and Cu(II)(BCA)22−, we demonstrate that the apparent lack of redox reaction reversibility is caused by an adsorption wave of Cu(II)(BCA)22−. With the adsorption wave identified, we found that the Cu(I)/Cu(II) selectivity of BCA is essentially identical to another popular ligand, bathocuproinedisulfonic acid (BCS). Density functional theory calculation on the geometries of Cu(I)(BCA)23− and Cu(II)(BCA)22− rationalizes the preferential Cu(I) binding by BCA and the strong adsorption of the Cu(II)(BCA)22− complex at the glassy carbon electrode. Based on the shift in the standard reduction potential of free Cu(II)/Cu(I) upon binding to BCA, we affirm that the formation constants for Cu(I)(BCA)23− and Cu(II)(BCA)22− are 1017.2 and 108.9, respectively. Therefore, BCA can be chosen among various ligands for effective and reliable studies of the copper binding affinities of different biomolecules.
Assay of Glomalin Using a Quartz Crystal Microbalance Biosensor
Authors: Pohanka Miroslav , Vlcek Vitezslav
Published: January 2018

Glomalin is a soil protein abundantly occurring in the soil. In the current time, knowledge about glomalin is limited and there are also missing simple test for the determination of glomalin in the environment. This work is devoted to construction of a biosensor which is expected to be a simple device for the determination of glomalin in extracts from soil samples. The biosensor was constructed using an antibody against glomalin and piezoelectric quartz crystal microbalance (QCM) sensor platform allowing label free assay. Electrodes of QCM were activated using cysteamine and glutaraldehyde and finally, an antibody against glomalin was immobilized. Glomalin was acquired from various soil samples by extraction in an autoclave and its content was determined by a standard spectrophotometric test. Time necessary to bind sufficient amount of glomalin was discovered for the biosensor and four hours incubation interval corresponded with maximal efficacy. Limit of detection for the biosensor based assay was found to be equal to 3.40 μg/g which is enough to cover all the tested soil samples containing glomalin in a concentration from 291 μg/g to 3.47 mg/g. The assay also fully correlated with the standard tests. In a conclusion, the piezoelectric biosensor seems to be a suitable platform for the determination of glomalin in samples of environment origin. The method represents an improvement of the current analytical platforms that are based on measurement of total protein content in soil extract.
Preparation of β‐cyclodextrin‐gold nanoparticles modified open tubular column for capillary electrochromatographic separation of chiral drugs
Authors: Zhou Li , Jiang Shenmeng , Zhang Xue , Fang Linlin , Guo Xingjie
Published: January 2018

In this paper, β‐cyclodextrin (β‐CD) modified gold nanoparticles (AuNPs) coated open tubular column (OT column) was prepared for capillary electrochromatography. The open tubular column was constructed through self‐assembly of gold nanoparticles on 3‐mercaptopropyl‐trimethoxysilane (MPTMS) prederivatized capillary and subsequent modification of thiols β‐cyclodextrin (SH‐β‐CD). Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and ultraviolet visible spectroscopy were carried out to characterize the prepared open tubular column and synthesized gold nanoparticles. By comparing different coating times of gold nanoparticles and thiols β‐cyclodextrin, we got the optimal conditions for preparing the open tubular column. Also, the separation parameters were optimized including buffer pH, buffer concentration and applied voltage. Separation effectiveness of open tubular column was verified by the separation of four pairs of drug enantiomers including bifonazole, fexofenadine, omeprazole and lansoprazole, and satisfactory separation results were achieved for these analytes studied. In addition, the column showed good stability and repeatability. The relative standard deviation values less than 5% were obtained through intra‐day, inter‐day, and column‐to‐column investigations.
Distribution and time‐series modelling of ordinal circular data
Authors: Jha J. , Biswas A.
Published: January 2018

In this paper, we discuss the distribution of a circular random variable having positive probabilities only on uniformly spaced directions. We used the wrapping of geometric distribution to construct two discrete distributions on the circle. The distributional properties and estimation procedures for the underlying model parameters are discussed. Some tests for the distribution are proposed. Simulation studies are done to illustrate the distribution. Then, using the distribution, we carry out the time‐series analysis of wind direction data where the sample space also contains the no wind state.
Postoperative EEG association with seizure recurrence: Analysis of the NIH epilepsy surgery database
Authors: Hodges Sarah , Goldenholz Daniel M. , Sato Susumu , Theodore William H. , Inati Sara
Published: January 2018

The epilepsy surgery database from 1984 to 2012 at the National Institutes of Health (NIH) was reviewed to determine the association of postoperative electroencephalography (EEG) with seizure recurrence. Eighty‐three patients were analyzed, with 41 having at least 5 years of follow‐up. The relationship between epileptiform postoperative EEG findings and seizure recurrence at 1, 2, and 5 years was not significant, despite a significant decrease in abnormal EEG recordings after surgery. Clinicians use a variety of tools to predict seizure recurrence following epilepsy surgery to guide medication management and to modulate patient expectations. EEG is but one tool for assessing the likelihood of seizure recurrence following epilepsy surgery.
Experimental and numerical behaviour of dissipative devices based on carbon‐wrapped steel tubes for the retrofitting of existing precast RC structures
Authors: Pollini Andrea Vittorio , Buratti Nicola , Mazzotti Claudio
Published: January 2018

The 2012 Emilia earthquake (in Northern Italy) caused extensive damage to existing prefabricated reinforced concrete structures. These buildings were found being extremely vulnerable because, being designed for vertical loads only, they featured friction‐based connections between structural elements, most commonly between beams and columns. Given the large diffusion of these structures, their seismic retrofit is critical. Various techniques have been proposed in the literature, in most of which friction‐based connections are removed by inserting mechanical connectors that will make beam‐column connections hinged. These approaches lead to a significant increase of the base shear and therefore require strengthening of columns.

The paper presents dissipative devices based on carbon‐wrapped steel tubes to be used as an alternative low‐damage solution for the retrofit of beam‐column connections. The first part of the paper presents results of experimental tests on the devices and discusses their dissipative behaviour. The succeeding parts of the paper present numerical analyses on simple structures reinforced with the proposed device. The results of the numerical study show how the introduction of the dissipative devices produces a significant reduction of forces transmitted to the structure, by comparing the seismic response of simple frame structures equipped with dissipative devices with the response of equivalent elastic systems.
Trophic transfer of Cd from duckweed (Lemna minor L.) to tilapia (Oreochromis mossambicus)
Authors: Xue Yan , Peijnenburg Willie J.G.M. , Huang Jin , Wang Dengjun , Jin Yan
Published: January 2018

The transfer of the toxic heavy metal Cd from duckweed (Lemna minor L.) to the freshwater fish tilapia (Oreochromis mossambicus) was investigated. Concentrations of Cd in different chemical forms in duckweed and in different tissues (gut, edible muscle, and remnants or residual) of tilapia (i.e., ethanol-extractable fraction [FE], HCl-extractable fraction [FHCl], and residual fraction [FR]) were quantified, and the bioaccumulation factors (BAFs) of Cd in the tilapia body were calculated. Simple linear regression analysis was used to unravel the correlation and accumulation mechanisms of Cd along the short food chain. Our results showed that with increasing exposure concentrations of Cd (0–50 μM for duckweed and 0–10 μM for tilapia), the total, FE (Fe,d)-, FHCl (Fh,d)-, and FR (Fr,d)-Cd concentrations in duckweed and different tissues of tilapia increased progressively. The Cd sources (aqueous or dietary) influenced the BAF for Cd accumulation in the whole body of tilapia. Furthermore, regression analyses yielded significant positive correlations (R2 > 0.96) between the Cd concentration in duckweed and in both the 3 parts and the whole body of tilapia. This finding suggests that Cd transfer from duckweed to tilapia can be quantitatively evaluated when tilapia is exposed only to duckweed. In addition, the linear regression between Cd accumulation in whole tilapia and Fe,d-, Fh,d-, and Fr,d-Cd showed that particularly the correlation with Fe,d-Cd is statistically significant (p < 0.001). The accumulated Cd concentrations and chemical forms in tilapia tissues also positively correlated with Cd sources (solution or duckweed). Compared with waterborne exposure only, duckweed especially increased the accumulation of Cd in the gut of tilapia. Taken together, our findings support a strong dependence of Cd accumulation and transfer from duckweed to tilapia on its chemical forms, especially on Fe,d-Cd. This knowledge may expedite more accurate risk assessment of heavy metals through aquatic food chain ecosystems. Environ Toxicol Chem 2018;37:1367–1377. © 2018 SETAC
Bioconcentration model for non-ionic, polar, and ionizable organic compounds in amphipod
Authors: Chen Ciara Chun , Kuo Dave Ta Fu
Published: January 2018

The present study presents a bioconcentration model for non-ionic, polar, and ionizable organic compounds in amphipod based on first-order kinetics. Uptake rate constant k1 is modeled as logk1=10.81logKOW + 0.15 (root mean square error [RMSE] = 0.52). Biotransformation rate constant kM is estimated using an existing polyparameter linear free energy relationship model. Respiratory elimination k2 is calculated as modeled k1 over theoretical biota–water partition coefficient Kbiow considering the contributions of lipid, protein, carbohydrate, and water. With negligible contributions of growth and egestion over a typical amphipod bioconcentration experiment, the bioconcentration factor (BCF) is modeled as k1/(kM + k2) (RMSE = 0.68). The proposed model performs well for non-ionic organic compounds (log KOW range = 3.3–7.62) within 1 log-unit error margin. Approximately 12% of the BCFs are underpredicted for polar and ionizable compounds. However, >50% of the estimated k2 values are found to exceed the total depuration rate constants. Analyses suggest that these excessive k2 values and underpredicted BCFs reflect underestimation in Kbiow, which may be improved by incorporating exoskeleton as a relevant partitioning component and refining the membrane–water partitioning model. The immediate needs to build up high-quality experimental kM values, explore the sorptive role of exoskeleton, and investigate the prevalence of k2 overestimation in other bioconcentration models are also identified. The resulting BCF model can support, within its limitations, the ecotoxicological and risk assessment of emerging polar and ionizable organic contaminants in aquatic environments and advance the science of invertebrate bioaccumulation. Environ Toxicol Chem 2018;37:1378–1386. © 2018 SETAC
Four‐way multimodal fusion of 7 T imaging data using an mCCA+jICA model in first‐episode schizophrenia
Authors: Lottman Kristin K. , White David M. , Kraguljac Nina V. , Reid Meredith A. , Calhoun Vince D. , Catao Fabio , Lahti Adrienne C.
Published: January 2018

Acquisition of multimodal brain imaging data for the same subject has become more common leading to a growing interest in determining the intermodal relationships between imaging modalities to further elucidate the pathophysiology of schizophrenia. Multimodal data have previously been individually analyzed and subsequently integrated; however, these analysis techniques lack the ability to examine true modality inter‐relationships. The utilization of a multiset canonical correlation and joint independent component analysis (mCCA + jICA) model for data fusion allows shared or distinct abnormalities between modalities to be examined. In this study, first‐episode schizophrenia patients (nSZ=19) and matched controls (nHC=21) completed a resting‐state functional magnetic resonance imaging (fMRI) scan at 7 T. Grey matter (GM), white matter (WM), cerebrospinal fluid (CSF), and amplitude of low frequency fluctuation (ALFF) maps were used as features in a mCCA + jICA model. Results of the mCCA + jICA model indicated three joint group‐discriminating components (GM‐CSF, WM‐ALFF, GM‐ALFF) and two modality‐unique group‐discriminating components (GM, WM). The joint component findings are highlighted by GM basal ganglia, somatosensory, parietal lobe, and thalamus abnormalities associated with ventricular CSF volume; WM occipital and frontal lobe abnormalities associated with temporal lobe function; and GM frontal, temporal, parietal, and occipital lobe abnormalities associated with caudate function. These results support and extend major findings throughout the literature using independent single modality analyses. The multimodal fusion of 7 T data in this study provides a more comprehensive illustration of the relationships between underlying neuronal abnormalities associated with schizophrenia than examination of imaging data independently.
Default mode network modifications in Fabry disease: A resting‐state fMRI study with structural correlations
Authors: Cocozza Sirio , Pontillo Giuseppe , Quarantelli Mario , Saccà Francesco , Riccio Eleonora , Costabile Teresa , Olivo Gaia , Brescia Morra Vincenzo , Pisani Antonio , Brunetti Arturo , Tedeschi Enrico ,   AFFINITY study group
Published: January 2018

Aim of the study was to evaluate the presence of Default Mode Network (DMN) modifications in Fabry Disease (FD), and their possible correlations with structural alterations and neuropsychological scores. Thirty‐two FD patients with a genetically confirmed diagnosis of classical FD (12 males, mean age 43.3 ± 12.2) were enrolled, along with 35 healthy controls (HC) of comparable age and sex (14 males, mean age 42.1 ± 14.5). Resting‐State fMRI data were analyzed using a seed‐based approach, with six different seeds sampling the main hubs of the DMN. Structural modifications were assessed by means of Voxel‐Based Morphometry (VBM) and Tract‐Based Spatial Statistics analyses. Between‐group differences and correlations with neuropsychological variables were probed voxelwise over the whole brain. Possible correlations between FC modifications and global measures of microstructural alteration were also tested in FD patients with a partial correlation analysis. In the FD group, clusters of increased functional connectivity involving both supratentorial and infratentorial regions emerged, partially correlated to the widespread white matter (WM) damage found in these patients. No gray matter volume differences were found at VBM between the two groups. The connectivity between right inferior frontal gyrus and precuneus was significantly correlated with the Corsi block‐tapping test results (p = .0001). Widespread DMN changes are present in FD patients that correlate with WM alterations and cognitive performance. Our results confirm the current view of a cerebral involvement in FD patients not simply associated to major cerebrovascular events, but also related to significant and diffuse microstructural and functional changes.