bluuebunny/crossref_metadata_2025 huggingface dataset:
Forced out of a life narrative into the open
Authors: Speedy Jane
Published: January 2017

This paper is composed of several texts. It contains fragments of writing based on extracts from ‘Staring at the park: an auto‐ethnographic poetic inquiry’, an award‐winning book by Jane Speedy, and a series of images made with an i‐Pad. The visual text does not illustrate the written version. They are, rather, placed alongside each other, in juxtaposition, as if placed together in a gallery or installation. Thus frameworks from the visual arts are used within this piece to uphold more literary forms and, perhaps, to ‘trouble’ and open out our usual ways of seeing and attending to research texts. I hope this piece allows people in to a poet‐stroke life space that is the UK's biggest cause of disability, but is not much talked about or understood.
A novel mutation in the OAR domain of the ARX gene
Authors: Tapie Alejandra , Pi‐Denis Natalia , Souto Jorge , Vomero Alejandra , Peluffo Gabriel , Boidi María , Ciganda Martín , Curbelo Nicolás , Raggio Victor , Roche Leda , Pastro Lucía
Published: January 2017

Key Clinical Message

Mutations in ARX gene should be considered in patients with mental disability or/and epilepsy. It is an X‐linked gene that has pleiotropic effects. Here, we report the case of a boy diagnosed with Ohtahara syndrome. We performed the molecular analysis of the gene and identified a new missense mutation.
Support Effects on CO Oxidation on Metal‐supported Ultrathin FeO(1 1 1) Films
Authors: Weng Xuefei , Zhang Ke , Pan Qiushi , Martynova Yulia , Shaikhutdinov Shamil , Freund Hans‐Joachim
Published: January 2017

FeO(1 1 1) films grown on a Au(1 1 1) substrate were studied in the low temperature CO oxidation reaction at near‐atmospheric pressure. Enhanced reactivity over the otherwise inert Au(1 1 1) surface was only observed if the iron oxide films possessed so‐called “weakly bound oxygen” (WBO) species upon oxidation at elevated pressures. The reaction rate measured under O‐rich conditions (CO/O2=1/5, totally 60 mbar, He balance to 1 bar) was found to correlate with the total amount of WBO measured in the “oxidized” films by temperature programmed desorption. The initial reaction rate measured as a function of the film coverage showed a maximum at about one monolayer (ML), in contrast to ≈0.4 ML obtained for the Pt(1 1 1)‐supported FeO(1 1 1) films measured with the same setup. When compared to FeO(1 1 1)/Pt(1 1 1), WBO species on FeO(1 1 1)/Au(1 1 1) desorb at a much lower (i.e., by ≈200 K) temperature, but also in much smaller amounts. Scanning tunneling microscopy studies showed that the FeO(1 1 1) layer on Au(1 1 1) is fairly stable towards high pressure oxidation in the low coverage regime, but undergoes substantial reconstruction at near‐monolayer coverages, thus resulting in poorly‐defined structures. Comparison of structure–reactivity relationships observed for Au(1 1 1) and Pt(1 1 1) supported FeO(1 1 1) films revealed the complex role of a metal support on reactivity. Although a strong interaction with the Pt(1 1 1) surface stabilizes a planar FeO(1 1 1)‐derived structure for the active oxide phase, in the case of a more weakly interacting Au(1 1 1) surface, the reaction atmosphere induces structural transformations governed by the thermodynamic phase diagram of the iron oxide, albeit it seems crucial to have a dense FeO(1 1 1) film as the precursor.
Graphene Quantum Dot Modified Fe3O4 Nanoparticles Stabilize PdCu Nanoparticles for Enhanced Catalytic Activity in the Sonogashira Reaction
Authors: Gholinejad Mohammad , Ahmadi Jahantab , Nájera Carmen , Seyedhamzeh Mohammad , Zareh Fatemeh , Kompany‐Zareh Mohsen
Published: January 2017

In this report, Fe3O4 nanoparticles are modified for the first time with graphene quantum dots (GQD) and used for the stabilization of PdCu bimetallic nanoparticles. The new magnetic compound, PdCu@GQD@Fe3O4, is characterized by different methods such as SEM, high‐resolution (HR)‐TEM, energy‐dispersive X‐ray spectroscopy (EDS) mapping, XRD, and X‐ray photoelectron spectroscopy (XPS). This material is applied as an efficient catalyst for the Sonogashira reaction of aryl iodides, bromides, and chlorides in toluene or N,N‐dimethylacetamide at 60–110 °C in very high yields with 0.3 mol % of Pd loading. According to different tests, such as polyvinylpyridine poisoning, hot filtration, and kinetic studies, this catalyst works under heterogeneous conditions. By magnetic separation of the catalyst, it can be recycled for six consecutive runs with only a small decrease in activity without appreciable structural modification of the reused catalyst, which is characterized by TEM and XPS.
Nitrogen‐doped Carbon Nanofibers for the Oxygen Reduction Reaction: Importance of the Iron Growth Catalyst Phase
Authors: Buan Marthe E. M. , Muthuswamy Navaneethan , Walmsley John C. , Chen De , Rønning Magnus
Published: January 2017

A systematic evaluation of the oxygen reduction reaction (ORR) on nitrogen‐doped carbon nanofibers (N‐CNFs) has been performed by tuning the properties of the N‐CNFs by using chemical vapor deposition. Analysis of the as‐synthesized N‐CNFs shows that the iron used as the growth catalyst consists of iron carbides, including Fe7C3, χ‐Fe5C2, and θ‐Fe3C, depending on the carbon activity of the synthesis feed. Furthermore, a relationship between the growth catalyst phase, the N‐CNF properties, and the electrocatalytic activity for the oxygen reduction in acidic electrolyte is revealed. The best catalytic activity and selectivity was achieved if the N‐CNFs were grown from Hägg carbide, χ‐Fe5C2, suggesting that this carbide phase favors the incorporation of active sites into the N‐CNFs. Controlling the phase of the iron particles used as growth catalysts is therefore essential for obtaining N‐CNFs with a high active site density for the oxygen reduction reaction.
Fluid‐Solid Adsorption in Batch and Continuous Processing: A Review and Insights into Modeling
Authors: Russo Vincenzo , Trifuoggi Marco , Di Serio Martino , Tesser Riccardo
Published: January 2017

Adsorption is a highly versatile separation technique that can be used both for product separation and waste purification, involving selective interaction of one or more compounds from the liquid phase on a solid called adsorbent. In literature, several models have been proposed to describe both the kinetics and the equilibrium data of different systems. These models are relevant for fluid‐solid adsorption and fluid‐solid reactions. Kinetic models can be classified in either pseudo‐kinetic or diffusive models. Most of them cannot be applied directly in simulating the behavior of continuous columns, while others are applicable only in a narrow range of experimental conditions. The performances of a general continuous adsorption model have been tested by performing a dedicated parametric investigation with the aim to give an overview of how the parameters affect the continuous operation.
Electrochemical Biosensing for the Diagnosis of Viral Infections and Tropical Diseases
Authors: Campuzano Susana , Yáñez‐Sedeño Paloma , Pingarrón José Manuel
Published: January 2017

Rapid and reliable diagnosis of viral infections and tropical diseases and timely initiation of appropriate treatment are essential for their successful clinical management. This Review summarizes some basic concepts regarding the main viral infection and tropical diseases to which society is facing today and the conventional methods available for their detection. The tremendous potential offered by electrochemical affinity biosensors to address this important challenge, meeting the required demands for viral infections and tropical diseases diagnosis, is clearly stated by discussing challenges, opportunities, implementation, and application of selected examples focused on the determination of specific biomarkers of different molecular (genetic, regulatory, and functional) levels. The highlighted approaches demonstrate the use of a plethora of specific receptors and assay formats and a great diversity of attractive electrochemical approaches in this rapidly advancing and highly interesting field.
Multichromophoric Perylenediimide–Silicon Phthalocyanine–C60 System as an Artificial Photosynthetic Analogue
Authors: Martín‐Gomis Luis , Peralta‐Ruiz Francisco , Thomas Michael B. , Fernández‐Lázaro Fernando , D'Souza Francis , Sastre‐Santos Ángela
Published: January 2017

Sequential photoinduced energy transfer followed by electron transfer and the formation of charge‐separated states, which are primary events of natural photosynthesis, have been demonstrated in a newly synthesized multichromophoric covalently linked triad, PDI‐SiPc‐C60. The triad comprises a perylenediimide (PDI), which primarily fulfils antenna and electron‐acceptor functionalities, silicon phthalocyanine (SiPc) as an electron donor, and fulleropyrrolidine (C60) as a second electron acceptor. The multi‐step convergent synthetic procedure developed here produced good yields of the triad and control dyads, PDI‐SiPc and SiPc‐C60. The structures and geometries of the newly synthesized donor–acceptor systems have been established from spectral, computational, and electrochemical studies with reference to appropriate control compounds. Ultrafast energy transfer from 1PDI* to SiPc in the case of PDI‐SiPc and PDI‐SiPc‐C60 was witnessed. An energy‐level diagram established from spectral and electrochemical data suggested the formation of two types of charge‐separated states, that is, PDI‐SiPc.+‐C60.− and PDI.−‐SiPc.+‐C60 from the 1SiPc* in the triad, with generation of the latter being energetically more favorable. However, photochemical studies involving femtosecond transient spectroscopy revealed the formation of PDI‐SiPc.+‐C60.− as a major charge‐separated product. This observation may be rationalized in terms of the closer spatial proximity to SiPc of C60 compared to PDI in the triad. The charge‐separated state persisted for a few nanoseconds prior to populating the 3SiPc* state during charge recombination.
Covalent‐Bond Formation via On‐Surface Chemistry
Authors: Held Philipp Alexander , Fuchs Harald , Studer Armido
Published: January 2017

In this Review article pioneering work and recent achievements in the emerging research area of on‐surface chemistry is discussed. On‐surface chemistry, sometimes also called two‐dimensional chemistry, shows great potential for bottom‐up preparation of defined nanostructures. In contrast to traditional organic synthesis, where reactions are generally conducted in well‐defined reaction flasks in solution, on‐surface chemistry is performed in the cavity of a scanning probe microscope on a metal crystal under ultrahigh vacuum conditions. The metal first acts as a platform for self‐assembly of the organic building blocks and in many cases it also acts as a catalyst for the given chemical transformation. Products and hence success of the reaction are directly analyzed by scanning probe microscopy. This Review provides a general overview of this chemistry highlighting advantages and disadvantages as compared to traditional reaction setups. The second part of the Review then focuses on reactions that have been successfully conducted as on‐surface processes. On‐surface Ullmann and Glaser couplings are addressed. In addition, cyclodehydrogenation reactions and cycloadditions are discussed and reactions involving the carbonyl functionality are highlighted. Finally, the first examples of sequential on‐surface chemistry are considered in which two different functionalities are chemoselectively addressed. The Review gives an overview for experts working in the area but also offers a starting point to non‐experts to enter into this exciting new interdisciplinary research field.
A METHOD OF RECONSTRUCTING HORIZONTALLY‐INHOMOGENEOUS IONOSPHERIC STRUCTURE USING HF SKY‐WAVE BACKSCATTER IONOGRAMS
Authors: Jing FENG , Bin‐Bin NI , Zheng‐Yu ZHAO , Wen LIU , Na WEI , Peng LOU
Published: January 2017

High‐frequency (HF) sky‐wave backscatter sounding, as a powerful tool for detecting the ionosphere and studying the characteristics of radio channels, can be used to monitor the ionosphere continuously at a remote distance and to acquire the ionospheric parameters in a large area. Backscatter ionograms show the relationship between operating frequency, group path, and echo amplitude. Since an ionogram carries the information of the ionospheric profile along the detection path, the ionospheric parameters can be evaluated through the inversion technique. An algorithm for backscatter sounding ionogram inversion is developed based on the restriction of solution space to reconstruct the horizontally inhomogeneous structures of the ionosphere. Furthermore, the Newton‐Kontorovich method that generally treats nonlinear operator equations and the Tikhonov regularization method that generally deals with ill‐posed problems are effectively combined to resolve the equations. The algorithm can get a stable and unique solution under the solution space limitation. The algorithm we have developed was tested against both model data and observation data, and compared with the method of Fridman and Fridman (1994). Test results prove that the method in this paper has reliable convergence, is insensitive to measurement errors, and has higher accuracy for the inversion of ionospheric structures than the method of Fridman and Fridman (1994). Our algorithm not only can inverse horizontal changes in electron density under quiet conditions (at night or during the daytime at mid‐latitudes), but also can diagnose the horizontally inhomogeneous structures of the ionosphere during sunrise or sunset periods with high accuracy. This consequently demonstrates the application value of the proposed algorithm in the treatment of the complex and volatile measured backscatter ionograms.
INFLUENCES OF THERMAL FORCING OVER THE SLOPE/PLATFORM OF THE TIBETAN PLATEAU ON ASIAN SUMMER MONSOON: NUMERICAL STUDIES WITH THE WRF MODEL
Authors: Zi‐Qian WANG , An‐Min DUAN , Mao‐Shan LI , Bian HE
Published: January 2017

With the global warming, the evolution of Asian summer monsoon (ASM) becomes more complicated, while the thermal effect of the Tibetan Plateau (TP) is an important forcing to the variability of weather and climate in ASM region. Regional climate model (RCM) is a useful tool in the regional climate change research and has higher resolutions that can represent topography and land surface processes more accurately comparing with atmospheric general circulation models (AGCMs). In this study, the impact of thermal forcing over different terrains of TP on ASM (including South and East ASM (SASM and EASM)) is investigated using the Weather Research and Forecasting (WRF) model. Results indicate that the local circulation and precipitation around the Himalayas (HIM) are significantly influenced by the surface heating over the HIM's southern slope, which is a dominant factor for the formation of the north branch of SASM. Meanwhile, the climbing moist airflow and precipitation over the southern slope of TP are mainly induced by HIM's thermal forcing. Due to HIM's sloping heating, the upper‐level troposphere warm center is steadily located over the HIM area and the EASM is also intensified obviously (Characterized both by the enhanced low‐level southwesterly over East China and the enhanced southward anomalous dry‐cold northerly). As to the surface heating over TP's platform region (PL), although its influence on the summer monsoon circulation and precipitation is weaker than the HIM's, it induces a wider response of SASM and a stronger influence on the meridional Hadley circulation. The PL's heating is able to regulate low‐level southwesterly over the remote tropical ocean. Furthermore, a comparison of multiple monsoon indices reveals that both HIM sloping heating and PL heating can intensify SASM or EASM, but the impacts of thermal forcing over different terrains are distinct on the two subsystems of ASM.
3‐D INVERSION OF FREQUENCY‐DOMAIN CSEM DATA BASED ON GAUSS‐NEWTON OPTIMIZATION
Authors: Rong‐Hua PENG , Xiang‐Yun HU , Bo HAN
Published: January 2017

Quantitative interpretation of large‐scale controlled‐source electromagnetic (CSEM) data in frequency domain requires efficient and stable 3D forward modeling and inversion codes. In this work, we present an efficient approach to 3D inversion of CSEM data, which is based on Gauss‐Newton (GN) optimization in combination with a direct solver for the forward modeling. In order to avoid computing and storing sensitivity matrix explicitly, a preconditioned conjugate gradient solver (PCG) is used to solve the system of the normal equations resulted from linearization at each GN iteration. This scheme only requires matrix‐vector products of Jocabian and its transpose with vectors, which are equivalent to one forward and one adjoint problem. Therefore the matrix factorization obtained when solving forward problem can be used in subsequent PCG process, which dramatically speeds up PCG iterations and reduces overall computational cost. Numerical experiments on synthetic data from land and marine CSEM surveying configurations show that our inversion scheme exhibits excellent convergence rate and only ten‐odd to tens of iterations are needed to reach desired data misfit, demonstrating its efficiency and stability.
INFLUENCE OF BIMODEL VERTICAL WIND SHEAR ON TYPHOON STRUCTURE AND INTENSITY
Authors: Qi‐Hua LI , Han‐Cheng LU , Wei ZHONG , Wei‐Cai TAN , Yuan SUN
Published: January 2017

Simulations of Typhoon (Tropical Cyclone) Fitow (2013) are used in this study to analyze the influence of the vertical wind shear (VWS) on its structure and intensity. A vertical wave‐like distribution of VWS is revealed. This wave‐like distribution varies at different stage of typhoon Fitow (2013), and exhibits bimodal structure in the mature stage. It is found that the VWS between the top and bottom of middle troposphere is the major part of the total VWS. The typhoon intensity obviously changes about 6 hours after the distribution mutation of VWS. The different configuration of the secondary circulation induced by bimodal VWS and the typhoon vertical circulation causes the asymmetric structure of the deep convection bands, and they tend to be symmetric gradually with the enhancement of cyclonic circulation. The diagnostic analysis also indicates that the wave‐like distribution of VWS results in the inhomogeneous feature of vorticity forces in vertical direction. And the vorticity forces in the middle and low troposphere favor the development of convective instability. In accordance with the theoretical models, the maximum vertical velocity appears at the same altitude with the inflection of the vertical wind profile. Therefore, the bimodal VWS is crucial to the structure change of deep convection bands and the intensity maintenance in typhoon Fitow(2013). Furthermore, the wave‐like distribution of VWS might be the trigger of instability accounting for the convective‐rolls in typhoon.
Spatial distribution of synapses on tyrosine hydroxylase–expressing juxtaglomerular cells in the mouse olfactory glomerulus
Authors: Kiyokage Emi , Kobayashi Kazuto , Toida Kazunori
Published: January 2017

Olfactory sensory axons converge in specific glomeruli where they form excitatory synapses onto dendrites of mitral/tufted (M/T) and juxtaglomerular (JG) cells, including periglomerular (PG), external tufted (ET), and superficial‐short axon cells. JG cells consist of heterogeneous subpopulations with different neurochemical, physiological, and morphological properties. Among JG cells, previous electron microscopic (EM) studies have shown that the majority of synaptic inputs to tyrosine hydroxylase (TH)‐immunoreactive neurons were asymmetrical synapses from olfactory nerve (ON) terminals. However, recent physiological results revealed that 70% of dopaminergic/γ‐aminobutyric acid (GABA)ergic neurons received polysynaptic inputs via ET cells, whereas the remaining 30% received monosynaptic ON inputs. To understand the discrepancies between EM and physiological data, we used serial EM analysis combined with confocal laser scanning microscope images to examine the spatial distribution of synapses on dendrites using mice expressing enhanced green fluorescent protein under the control of the TH promoter. The majority of synaptic inputs to TH‐expressing JG cells were from ON terminals, and they preferentially targeted distal dendrites from the soma. On the other hand, the numbers of non‐ON inputs were fewer and targeted proximal dendrites. Furthermore, individual TH‐expressing JG cells formed serial synapses, such as M/T→TH→another presumed M/T or ON→TH→presumed M/T, but not reciprocal synapses. Serotonergic fibers also associated with somatic regions of TH neurons, displaying non‐ON profiles. Thus, fewer proximal non‐ON synapses provide more effective inputs than large numbers of distal ON synapses and may occur on the physiologically characterized population of dopaminergic‐GABAergic neurons (70%) that receive their most effective inputs indirectly via an ON→ET→TH circuit. J. Comp. Neurol. 525:1059–1074, 2017. © 2016 Wiley Periodicals, Inc.
An effective graph‐theoretic approach towards simultaneous detection of fault(s) and cut(s) in wireless sensor networks
Authors: Swain Rakesh Ranjan , Dash Tirtharaj , Khilar Pabitra Mohan
Published: January 2017

A failed sensor node partitions a wireless sensor network (WSN) into 2 or more disjoint components, which is called as a cut in the network. The cut detection has been considered as a very challenging problem in the WSN research. In this paper, we propose a graph‐theoretic distributed protocol to detect simultaneously the faults and cuts in the WSN. The proposed approach could be accomplished mainly in 3 phases, such that initialization phase, fault detection phase, and a cut detection phase. The protocol is an iterative method where at every time iteration, the node updates its state to calculate the potential factor. We introduced 2 terminologies such as a safe zone or cut zone of the network. The proposed method has been evaluated regarding various performance evaluation measures by implementing the same in the network simulator NS–2.35. The obtained results show that the proposed graph‐theoretic approach is simple yet very powerful for the intended tasks.
Herbivore exclusion promotes a more stochastic plant community assembly in a natural grassland
Authors: Alberti Juan , Bakker Elisabeth S. , van Klink Roel , Olff Han , Smit Christian
Published: January 2017

Both bottom‐up (e.g., nutrients) and top‐down (e.g., herbivory) forces structure plant communities, but it remains unclear how they affect the relative importance of stochastic and deterministic processes in plant community assembly. Moreover, different‐sized herbivores have been shown to have contrasting effects on community structure and function, but their effects on the processes governing community assembly (i.e., how they generate the impacts on structure) remain largely unknown. We evaluated the influence of bottom‐up and top‐down forces on the relative importance of deterministic and stochastic processes during plant community assembly. We used the data of a 7‐yr factorial experiment manipulating nutrient availability (ambient and increased) and the presence of vertebrate herbivores (>1 kg) of different body size in a floodplain grassland in The Netherlands. We used a null model that describes a community composition expected by chance (i.e., stochastic assembly) and compared the plant community composition in the different treatments with this null model (the larger the difference, the more deterministically assembled). Our results showed that herbivore exclusion promoted a more stochastic plant community assembly, whereas increased nutrients played a relatively minor role in determining the relative importance of stochasticity in community assembly. Large herbivores facilitated intermediate‐sized mammal herbivores, resulting in synergistic effects of enhanced grazing pressure and a more deterministic and convergent plant community assembly. We conclude that herbivores can act as strong deterministic forces during community assembly in natural systems. Our results also reveal that although large‐ and intermediate‐sized mammal herbivores often have contrasting effects on many community and ecosystem properties, they can also synergistically homogenize plant communities.
A Bidentate Resorcinarene‐Based Palladium Carbene Complex
Authors: Ngodwana Lonwabo , Bose Sritama , Smith Vincent J. , van Otterlo Willem A. L. , Arnott Gareth E.
Published: January 2017

The synthesis and characterization of a distally bridged, bidentate resorcinarene bis(carbene) palladium complex is described for the first time. Preliminary catalytic studies show promise for future developments along this framework.
Synthesis and Structure of 1,2‐Dimethylene[2.10]metacyclophane and Its Conversion into Chiral [10]Benzenometacyclophanes
Authors: Akther Thamina , Islam Md. Monarul , Matsumoto Taisuke , Tanaka Junji , Thuéry Pierre , Redshaw Carl , Yamato Takehiko
Published: January 2017

Bromination of 5,21‐di‐tert‐butyl‐8,24‐dimethoxy‐1,2‐dimethyl[2.10]metacyclophan‐1‐ene (MCP‐1‐ene; 1) with benzyltrimethylammonium tribromide exclusively afforded 1,2‐bis(bromomethyl)‐5,21‐di‐tert‐butyl‐8,24‐dimethoxy[2.10]MCP‐1‐ene (2). Debromination of 2 with Zn and AcOH in CH2Cl2 solution at room temperature for 24 h produced dimethylene[2.10]MCP 7 in 92 % yield, which is a stable solid compound. Compound 7 was treated with dimethyl acetylenedicarboxylate (DMAD) to provide 1,2‐(3′,6′‐dihydrobenzo)‐5,21‐di‐tert‐butyl‐8,24‐dimethoxy[2.10]MCP‐4′,5′‐dimethylcarboxylate (8) in good yield. Diels–Alder adduct 8 was converted into a novel and inherently chiral areno‐bridged dimethoxy[2.10]MCP‐4′,5′‐dimethylcarboxylate 9, possessing C1 symmetry, by aromatization with 2,3‐dichloro‐5,6‐dicyano‐1,4‐benzoquinone (DDQ). A new type of N‐phenyl‐maleimide substituted 1,2‐(3′,6′‐dihydrobenzo)‐5,21‐di‐tert‐butyl‐8,24‐dimethoxy[2.10]MCP‐4′,5′‐N‐phenylmaleimide 10 was also synthesized from 7 through treatment with N‐phenylmaleimide in toluene at 110 °C followed by aromatization with DDQ. Single‐crystal X‐ray analysis of 9 revealed the formation of a syn‐isomer.
Seasonal allocation of carbohydrates between above‐ and below‐ground organs of Typha domingensis
Authors: Eid Ebrahem M. , Shaltout Kamal H.
Published: January 2017

Seasonal carbohydrates allocation by Typha domingensis was evaluated to identify the potential physiological weaknesses in the growth cycle of this plant in Lake Burullus, Egypt. Monthly plant samples (February–October 2014) were separated into shoots, roots and rhizomes to evaluate the seasonal changes in water‐soluble carbohydrates (WSC), starch and total non‐structural carbohydrates (TNC) for each plant organ. The present study indicated that rhizomes are strong carbohydrates sink during the life cycle of T. domingensis. Starch represented the greatest part of the TNC pool, surpassing the concentration of WSC 1.8–4.3 times. The WSC, starch and TNC concentrations of T. domingensis below‐ground organs (rhizomes and roots) were high at the beginning of the vegetative period (February); they reached their minima in March to support the shoots growth, then were followed by a gradual increase due to the translocation from shoots. The time when T. domingensis is expected to be most susceptible to a management technique is at the point in the seasonal cycle when the stored carbohydrates are at the lowest (in March).
Staff training and outreach support for Cognitive Stimulation Therapy and its implementation in practice: a cluster randomised trial
Authors: Streater Amy , Spector Aimee , Hoare Zoe , Aguirre Elisa , Russell Ian , Orrell Martin
Published: January 2017

Objective

There is evidence that Cognitive Stimulation Therapy and maintenance Cognitive Stimulation Therapy are effective in mild to moderate dementia. There is, however, little evidence available for its implementation in practice and the impact of outreach support on the sustainability of the programme.

Methods

Two hundred and forty‐one staff members were randomised from 63 dementia care settings between outreach support including an online forum, email, and telephone support, compared to usual Cognitive Stimulation Therapy control group. The primary outcome was average number of attendees to the Cognitive Stimulation Therapy and maintenance Cognitive Stimulation Therapy programmes.

Results

There was no difference in average number of attendees between the intervention and usual Cognitive Stimulation Therapy control groups for the Cognitive Stimulation Therapy (p = 0.82) or the maintenance Cognitive Stimulation Therapy programme (p = 0.97).

Conclusions

Outreach support does not affect the average number of people with dementia attending the Cognitive Stimulation Therapy or maintenance Cognitive Stimulation Therapy programme. Irrespective of outreach support, the programmes remain widely implemented and yield perceived benefits for people with dementia. Copyright © 2017 John Wiley & Sons, Ltd.
Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with β‐substituted disaccharides
Authors: Abhinav K. V. , Sharma Kaushal , Surolia A. , Vijayan Mamannamana
Published: January 2017

Crystal structures of jacalin in complex with GlcNAc β‐(1,3) Gal‐β‐OMe and Gal β‐(1,3) Gal‐β‐OMe have been determined. The binding of the ligands to jacalin is similar to that of analogous α‐substituted disaccharides. However, the β‐substituted β‐(1,3) linked disaccharides get distorted at the anomeric center and the glycosidic linkage. The distortion results in higher internal energies of the ligands leading to lower affinity to the lectin. This confirms the possibility of using ligand distortion as a strategy for modulating binding affinity. Unlike in the case of β‐substituted monosaccharides bound to jacalin, where a larger distortion at the anomeric center was observed, smaller distortions are distributed among two centers in the structures of the two β‐substituted β‐(1,3) linked disaccharides presented here. These disaccharides, like the unsubstituted and α‐substituted counterparts, bind jacalin with the reducing Gal at the primary binding site, indicating that the lower binding affinity of β‐substituted disaccharides is not enough to overcome the intrinsic propensity of Gal β‐(1,3) Gal‐based disaccharides to bind jacalin with the reducing sugar at the primary site. © 2017 IUBMB Life, 69(2):72–78, 2017
Identification of two novel isoforms of mouse NUR77 lacking N‐terminal domains
Authors: Rehman Sayeed ur , Sarwar Tarique , Husain Mohammed Amir , Ishqi Hassan Mubarak , Tabish Mohammad
Published: January 2017

Nur77 is a member of nuclear receptor superfamily that acts as a transcription factor and regulates expression of multiple genes. Subcellular localization of Nur77 protein plays an important role in the survival and cell death. In this study, we have predicted and confirmed alternatively spliced two new transcripts of Nur77 gene in mouse. The newly identified transcripts have their alternatively spliced first exon located upstream of published 5′‐UTR of the gene. Transcription factor binding sites in the possible promoter regions of these transcripts were also analyzed. Expression of novel transcript variants was found to be significantly lower than the already published transcript. New transcript variants encode for NUR77 protein isoforms which are significantly smaller in size due to lack of transactivation domain and a part of DNA binding domain. Western blot analysis using NUR77 specific antibody confirmed the existence of these smaller variants in mouse. Localization of these new isoforms was predicted to be majorly outside the nucleus. In silico analysis of the conceptually translated proteins was performed using different bioinformatics tools. The results obtained in this study offer further insight into novel area of research on extensively studied Nur77. © 2017 IUBMB Life, 69(2):106–114, 2017
Detoxification of benzo[a]pyrene primarily depends on cytochrome P450, while bioactivation involves additional oxidoreductases including 5‐lipoxygenase, cyclooxygenase, and aldo‐keto reductase in the liver
Authors: Wang Liupeng , Xu Wenwei , Ma Leilei , Zhang Suxing , Zhang Kezhi , Ye Peizhen , Xing Guozhen , Zhang Xuefeng , Cao Yiyi , Xi Jing , Gu Jun , Luan Yang
Published: January 2017

Cytochrome P450s are involved in detoxification and activation of benzo[a]pyrene (BaP) with unclear balance and unknown contribution of other oxidoreductases. Here, we investigated the BaP and BaP‐induced mutagenicity in hepatic and extra‐hepatic tissues using hepatic P450 reductase null (HRN) gpt mice. After 2‐week treatment (50 mg/kg, i.p. 4 days), BaP in the liver and lung of HRN‐gpt mice were increased. BaP promoted gpt mutant frequency (MF) in HRN‐gpt mice liver. MF of gpt in the lung and Pig‐a in hematopoietic cells induced by BaP in HRN‐gpt mice were increased than in gpt mice. BaP‐7,8‐diol‐9,10‐epoxide (BPDE)‐DNA adducts in vitro was analyzed for enzymes detection in BaP bioactivation. Specific inhibitors of 5‐lipoxygenase, cyclooxygenase‐1&2, and aldo‐keto reductase resulted in more than 80% inhibition rate in the DNA adduct formation, further confirmed by Macaca fascicularis hepatic S9 system. Our results suggested the detoxification of BaP primarily depends on cytochrome P450, while the bioactivation involves additional oxidoreductases.
Three‐body expansion of the fragment molecular orbital method combined with density‐functional tight‐binding
Authors: Nishimoto Yoshio , Fedorov Dmitri G.
Published: January 2017

The three‐body fragment molecular orbital (FMO3) method is formulated for density‐functional tight‐binding (DFTB). The energy, analytic gradient, and Hessian are derived in the gas phase, and the energy and analytic gradient are also derived for polarizable continuum model. The accuracy of FMO3‐DFTB is evaluated for five proteins, sodium cation in explicit solvent, and three isomers of polyalanine. It is shown that FMO3‐DFTB is considerably more accurate than FMO2‐DFTB. Molecular dynamics simulations for sodium cation in water are performed for 100 ps, yielding radial distribution functions and coordination numbers. © 2017 Wiley Periodicals, Inc.
Efficient modeling of liquid phase photoemission spectra and reorganization energies: Difficult case of multiply charged anions
Authors: Rubešová Martina , Jurásková Veronika , Slavíček Petr
Published: January 2017

An efficient approach for quantitative modeling of liquid phase photoelectron spectra, reorganization energies, and redox potentials with DFT‐based molecular dynamics simulations is presented. The method is based on a large scale cluster‐continuum approach combined with the so‐called reflection principle (RP). Finite size clusters of solute molecules with solvating water molecules are at first generated using either classical molecular dynamics or molecular dynamics with a quantum thermostat which accounts for nuclear quantum effects. In the next step, the electron binding energies are calculated. Finite‐size corrections for (i) positions of electron binding energies and (ii) width of the spectrum are evaluated via a dielectric continuum approach. The performance of such a reflection principle with additional broadening approach (RP‐AB) for oxidation of multiply charged iron anions, [Fe(CN)6]4− and [Fe(CN)6]3− is demonstrated. The role of nuclear quantum effects is discussed as well as the relation between spectroscopic data and electrochemical quantities. Results are compared with recent liquid photoemission experiments, explaining the obstacles for applying liquid phase photoemission spectroscopy as a direct method for obtaining absolute redox potentials and suggesting a way to overcome them. © 2017 Wiley Periodicals, Inc.
The selectivity of protein‐imprinted gels and its relation to protein properties: A computer simulation study
Authors: Yankelov Rami , Yungerman Irena , Srebnik Simcha
Published: January 2017

Polymer‐based protein recognition systems have enormous potential within clinical and diagnostic fields due to their reusability, biocompatibility, ease of manufacturing, and potential specificity. Imprinted polymer matrices have been extensively studied and applied as a simple technique for creating artificial polymer‐based recognition gels for a target molecule. Although this technique has been proven effective when targeting small molecules (such as drugs), imprinting of proteins have so far resulted in materials with limited selectivity due to the large molecular size of the protein and aqueous environment. Using coarse‐grained molecular simulation, we investigate the relation between protein makeup, polymer properties, and the selectivity of imprinted gels. Nonspecific binding that results in poor selectivity is shown to be strongly dependent on surface chemistry of the template and competitor proteins as well as on polymer chemistry. Residence time distributions of proteins diffusing within the gels provide a transparent picture of the relation between polymer constitution, protein properties, and the nonspecific interactions with the imprinted gel. The pronounced effect of protein surface chemistry on imprinted gel specificity is demonstrated.
Using a pattern‐oriented approach to study leaders: Implications for burnout and perceived role demand
Authors: Arnold Kara A. , Connelly Catherine E. , Gellatly Ian R. , Walsh Megan M. , Withey Michael J.
Published: January 2017

Using a pattern‐oriented approach, we identified clusters of leaders who shared theoretically meaningful combinations of transformational, contingent reward, management by exception active, management by exception passive, and laissez‐faire leadership styles. Drawing upon conservation of resources theory, we examined whether leaders who shared a similar pattern of leadership styles differed from leaders who belonged to other profile groups, with respect to felt burnout and perceived role demands. Hypotheses were tested using a time‐lagged field study involving 183 leaders. Using latent profile analyses, we found four theoretically interpretable patterns. Leaders who belonged to the comprehensive cluster (elevated scores on the transformational, contingent reward, and the passive styles; 14.2%) experienced the highest levels of burnout and role demands, whereas those who were disengaged (low scores on all styles; 33.3%) reported the lowest levels. Leaders who exhibited a passive behavioral pattern (elevated scores on management by exception active, management by exception passive, and laissez‐faire relative to the other styles; 27.3%) experienced more burnout and role demands than did leaders who exhibited an optimal pattern (elevated scores on transformational and contingent reward styles relative to the passive styles; 25.1%). The theoretical and practical implications of a pattern‐oriented approach to leadership research were discussed. Copyright © 2017 John Wiley & Sons, Ltd.
Biohydrogel induced soil–water interactions: how to untangle the gel effect? A review
Authors: Brax Mathilde , Buchmann Christian , Schaumann Gabriele Ellen
Published: January 2017

Biohydrogels such as microbial exudates and root‐derived mucilage are soil‐born cross‐linked polymers, able to form porous three‐dimensional networks during water uptake. The gel effect is the variation of soil properties, such as soil hydrology and soil structural stability, resulting from biohydrogel swelling in soil. Conventionally, soil–water–hydrogel interactions are investigated by measuring soil bulk properties such as water retention curves and porosity, without further analyzing the effect of biohydrogel phases in soil on a quantitative basis. Therefore, the evaluation of advanced and novel methods for the characterization of biohydrogel phases in soil and soil–water–hydrogel interactions is necessary. This review evaluates currently available methods for their potential to analyze processes associated to the gel effect.

A promising approach to investigate the spatio‐temporal distribution of biohydrogel phases in porous media is based on Nuclear Magnetic Resonance (NMR) such as 1H‐NMR relaxometry, as well as on imaging techniques such as Environmental Scanning Electron Microscopy (ESEM). Especially NMR techniques enable the identification of different water populations based on their differences in the relaxation, and thus the mobility of water molecules in biohydrogels and non‐gel water in soil pores.

Rheology measures the flow behavior of biohydrogels, providing information on the structural behavior of the hydrogel network and its gelling mechanism. Soil rheology further quantifies the effect of the biohydrogel phases on the interactions between soil particles, and thus the impact on soil microstructural stability. However, rheology does not elucidate the spatio‐temporal distribution and structural state of biohydrogel phases in soil.

All in all, a systematic combination of rheology, NMR and suitable imaging methods seems promising and necessary in order to elucidate the still widely unknown gel effect in soil.
Palliation and breast cancer
Authors: Yip Cheng‐Har
Published: January 2017

Metastatic breast cancer is an incurable disease. With improvement in systemic therapy, survival has improved over the past few years. Removing the primary tumor has shown improved survival in retrospective studies, but this may be due to selection bias. The first reported randomized controlled trial (RCT) from India showed no difference in survival with surgery. However another RCT from Turkey showed that a select group of patient with bone‐only metastases have a survival benefit.
Material characterization in flexible flow splitting
Authors: Neuwirth M. , Mester K. , Weiss M. , Bruder E.
Published: January 2017

There is a significant demand on flexibility in production processes, regarding freedom of part design and freedom of process design. The forming process linear flow splitting satisfies these demands by enriching the semi‐finished product sheet metal with geometric features. Additional flanges and bifurcations in integral style expand the range of component applications. By the further development of flexible flow splitting, these flanges can now be produced along a non‐linear bifurcation line and the application can be expanded on products with varying cross‐section. The continuous steady‐state process linear flow splitting is transferred into a flexible forming process that is characterized by non‐steady states and measurands. Methods of materials characterization are applied to investigate, if those non‐steady properties, that are visible in process characteristics and part geometry, can also be identified in the mechanical behavior.
ABCF2, an Nrf2 target gene, contributes to cisplatin resistance in ovarian cancer cells
Authors: Bao Lingjie , Wu Jianfa , Dodson Matthew , Rojo de la Vega Elisa Montserrat , Ning Yan , Zhang Zhenbo , Yao Ming , Zhang Donna D. , Xu Congjian , Yi Xiaofang
Published: January 2017

Previously, we have demonstrated that NRF2 plays a key role in mediating cisplatin resistance in ovarian cancer. To further explore the mechanism underlying NRF2‐dependent cisplatin resistance, we stably overexpressed or knocked down NRF2 in parental and cisplatin‐resistant human ovarian cancer cells, respectively. These two pairs of stable cell lines were then subjected to microarray analysis, where we identified 18 putative NRF2 target genes. Among these genes, ABCF2, a cytosolic member of the ABC superfamily of transporters, has previously been reported to contribute to chemoresistance in clear cell ovarian cancer. A detailed analysis on ABCF2 revealed a functional antioxidant response element (ARE) in its promoter region, establishing ABCF2 as an NRF2 target gene. Next, we investigated the contribution of ABCF2 in NRF2‐mediated cisplatin resistance using our stable ovarian cancer cell lines. The NRF2‐overexpressing cell line, containing high levels of ABCF2, was more resistant to cisplatin‐induced apoptosis compared to its control cell line; whereas the NRF2 knockdown cell line with low levels of ABCF2, was more sensitive to cisplatin treatment than its control cell line. Furthermore, transient overexpression of ABCF2 in the parental cells decreased apoptosis and increased cell viability following cisplatin treatment. Conversely, knockdown of ABCF2 using specific siRNA notably increased apoptosis and decreased cell viability in cisplatin‐resistant cells treated with cisplatin. This data indicate that the novel NRF2 target gene, ABCF2, plays a critical role in cisplatin resistance in ovarian cancer, and that targeting ABCF2 may be a new strategy to improve chemotherapeutic efficiency.
Iterative methods for solving a poroelastic shell model of Naghdi's type
Authors: Ljulj Matko , Tambača Josip
Published: January 2017

In this paper, we first formulate a linear quasi‐static poroelastic shell model of Naghdi's type. The model is given in three unknowns: displacement
of the middle surface, infinitesimal rotation
of the cross section of the shell, and the pressure π. The model has the structure of the quasi‐static Biot's system and can be seen as a system of the shell equation with pressure term as forcing and the parabolic type equation for the pressure with divergence of the filtration velocity as forcing term. On the basis of the ideas of the operator splitting methods, we formulate two sequences of approximate solutions, corresponding to ‘undrained split’ and ‘fixed stress split’ methods. We show that these sequences converge to the solution of the poroelastic shell model. Therefore, the iterations constitute two numerical methods for the model.

Moreover, both methods are optimized in a certain sense producing schemes with smallest contraction coefficient and thus faster convergence rates. Also, these convergences imply existence of solutions for the model. Copyright © 2017 John Wiley & Sons, Ltd.
Investigating magnetic susceptibility of human knee joint at 7 Tesla
Authors: Wei Hongjiang , Dibb Russell , Decker Kyle , Wang Nian , Zhang Yuyao , Zong Xiaopeng , Lin Weili , Nissman Daniel B. , Liu Chunlei
Published: January 2017

Purpose

To evaluate the magnetic susceptibility properties of different anatomical structures within the knee joint using quantitative susceptibility mapping (QSM).

Methods

A collagen tissue model was simulated and ex vivo animal cartilage experiments were conducted at 9.4 Tesla (T) to evaluate the B0 orientation‐dependent magnetic susceptibility contrast observed in cartilage. Furthermore, nine volunteers (six healthy subjects without knee pain history and three patients with known knee injury, between 29 and 58 years old) were scanned using gradient‐echo acquisitions on a high‐field 7T MR scanner. Susceptibility values of different tissues were quantified and diseased cartilage and meniscus were compared against that of healthy volunteers.

Results

Simulation and ex vivo animal cartilage experiments demonstrated that collagen fibrils exhibit an anisotropic susceptibility. A gradual change of magnetic susceptibility was observed in the articular cartilage from the superficial zone to the deep zone, forming a multilayer ultrastructure consistent with anisotropy of collagen fibrils. Meniscal tears caused a clear reduction of susceptibility contrast between the injured meniscus and surrounding cartilage illustrated by a loss of the sharp boundaries between the two. Moreover, QSM showed more dramatic contrast in the focal degenerated articular cartilage than
mapping.

Conclusion

The arrangement of the collagen fibrils is significant, and likely the most dominant source of magnetic susceptibility anisotropy. Quantitative susceptibility mapping offers a means to characterize magnetic susceptibility properties of tissues in the knee joint. It is sensitive to collagen damage or degeneration and may be useful for evaluating the status of knee diseases, such as meniscal tears and cartilage disease. Magn Reson Med 78:1933–1943, 2017. © 2017 International Society for Magnetic Resonance in Medicine.