bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrogen Peroxide Production on a Carbon Nitride–Boron Nitride‐Reduced Graphene Oxide Hybrid Photocatalyst under Visible Light
Authors: Kofuji Yusuke , Isobe Yuki , Shiraishi Yasuhiro , Sakamoto Hirokatsu , Ichikawa Satoshi , Tanaka Shunsuke , Hirai Takayuki
Published: January 2018

Photocatalytic production of hydrogen peroxide (H2O2) from earth‐abundant water and O2 is a desirable artificial photosynthesis for solar fuel production. A metal‐free hybrid photocatalyst consisting of pyromellitic diimide‐doped carbon nitride (g‐C3N4/PDI), boron nitride (BN), and reduced graphene oxide (rGO) was prepared. The g‐C3N4/PDI‐BN‐rGO catalyst, when photoirradiated in water with O2 by visible light at room temperature, efficiently produces H2O2. The photoexcited g‐C3N4/PDI moiety transfers the conduction band electrons to rGO, leading to selective production of H2O2 via two‐electron reduction of O2 on the rGO surface. In contrast, the valence‐band holes photoformed on the g‐C3N4/PDI moieties are transferred to BN, leading to efficient oxidation of water. The electron–hole separation enhanced by the incorporation of rGO and BN significantly suppresses the charge recombination and exhibits high photocatalytic activity. The solar‐to‐chemical conversion (SCC) efficiency for H2O2 production on the hybrid catalyst is 0.27 %, which is higher than the highest efficiencies obtained by overall water splitting on powdered catalysts.
Asymmetric Synthesis of Chiral Halogenated Amines using Amine Transaminases
Authors: Dawood Ayad W. H. , de Souza Rodrigo O. M. A. , Bornscheuer Uwe T.
Published: January 2018

Amine transaminases (ATAs) are versatile and industrially relevant biocatalysts that catalyze the transfer of an amine group from a donor to an acceptor molecule. Asymmetric synthesis from a prochiral ketone is the most preferred route to the desired amine product, as it is obtainable in a theoretical yield of 100 %. In addition to the requirement of active and enantioselective ATAs, the choice of a suitable amine donor is also important to save costs and to avoid additional enzymes to shift the equilibrium and/or to recycle the cofactors. In this work, we identified suitable (R)‐ and (S)‐ATAs from Aspergillus fumigatus and Silicibacter pomeroyi, respectively, to afford a set of halogen‐substituted derivatives of brominated or chlorinated 1‐phenyl‐2‐propanamine, 4‐phenylbutan‐2‐amine, and 1‐(3‐pyridinyl)ethanamine. Optimization of the donor–acceptor ratio enabled application of isopropylamine as an amine donor, which resulted in high conversions and amines with 73–99 % ee.
Air‐stable Ruthenium(II)‐NNN Pincer Complexes for the Efficient Coupling of Aromatic Diamines and Alcohols to 1H‐benzo[d]imidazoles with the Liberation of H2
Authors: Li Lin , Luo Qi , Cui Huahua , Li Renjie , Zhang Jing , Peng Tianyou
Published: January 2018

Two new phosphine‐free RuII‐NNN pincer complexes ([RuCl(L1)(CH3CN)2]Cl (1) and [RuCl(L2)(CH3CN)2]Cl (2) [L1=2,6‐bis(1H‐imidazole‐2‐yl)pyridine, L2=2,6‐bis(1‐hexyl‐1H‐imidazole‐2‐yl)pyridine] were synthesized to catalyze the condensation of benzyl alcohol and benzene‐1,2‐diamine homogeneously to 2‐pheny‐1H‐benzo[d]imidazole and H2. The reactivity in the order of 1>2 is lower than that of the phosphine‐containing RuII‐NNN pincer complex [RuCl2(L1)(PPh3)3] (3), and thus a homogeneous system that contained 1, 1 equivalent of 1,2‐bis(diphenylphosphanyl)ethane, and 10 equivalents of NaBPh4 was developed to improve the catalytic efficiency for the condensation of primary alcohols and benzene‐1,2‐diamine (or its derivatives) to 2‐substituted 1H‐benzo[d]imidazoles in excellent yields (up to 97 %) and turnover numbers (388). This system can be used to realize the facile one‐step synthesis of 1H‐benzo[d]imidazole derivatives from alcohols without the use of an oxidant and/or a stoichiometric amount of inorganic base that is usually necessary in homogeneous systems reported previously.
Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites
Authors: Obradović Darija , Andrić Filip , Zlatović Mario , Agbaba Danica
Published: January 2018

Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, δd, δp, and δh, which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of solubility parameters for the drugs of interest in this study. Therefore, in the present study, partial least square regression (PLS), artificial neural networks (ANNs), regression trees (RT), boosted trees (BT), and random forests (RF) were applied to estimate Hansen's solubility parameters of ziprasidone, aripiprazole, and their impurities/metabolic derivatives, targeting their biopharmaceutical classes and absorption routes. A training set of 47 structurally diverse and pharmacologically active compounds and 290 molecular descriptors and pharmaceutically important properties were used to build the prediction models. The modeling approaches were compared by the sum of ranking differences, using the consensus values as a reference for the unknowns and the experimentally determined values as a gold standard for the calibration set. In both instances, the PLS models, together with ANNs, demonstrated better performance than RT, BT and especially RF. Based on the best scored models, we were able to pinpoint the most probable absorption sites for each drug and the corresponding metabolite, i.e., the upper parts of the gastrointestinal tract, small intestine, or absorption along entire length of gastrointestinal tract.
Generating Electricity from Water through Carbon Nanomaterials
Authors: Xu Yifan , Chen Peining , Peng Huisheng
Published: January 2018

Over the past ten years, electricity generation from water in carbon‐based materials has aroused increasing interest. Water‐induced mechanical‐to‐electrical conversion has been discovered in carbon nanomaterials, including carbon nanotubes and graphene, through the interaction with flowing water as well as moisture. In this Concept article, we focus on the basic principles of electric energy harvesting from flowing water through carbon nanomaterials, and summarize the material modification and structural design of these nanogenerators. The current challenges and potential applications of power conversion with carbon nanomaterials are finally highlighted.
n‐butane partial oxidation in a fixed bed: A resolved particle computational fluid dynamics simulation
Authors: Partopour Behnam , Dixon Anthony G.
Published: January 2018

Maleic anhydride (MA) is an important chemical intermediate, which is mainly produced by the highly exothermic partial oxidation of n‐butane in fixed bed reactors. Production of maleic anhydride is limited by problems of temperature control and loss of selectivity. Here we present three‐dimensional resolved‐particle computational fluid dynamics (CFD) simulations of n‐butane partial oxidation in a randomly packed bed of 807 spherical catalyst particles. We used a semi‐empirical two‐site surface mechanism from the literature and obtained distributions of temperature, gas phase species, and surface species in the bed. The local selectivity patterns are strongly controlled by the changes in the gas phase flow field, the temperature in the fixed bed, and the weakly adsorbed oxygen surface coverage fraction (λO) profiles inside the particles. Most of the selectivity loss due to product combustion happens in the interior of the catalyst particles, as opposed to the production of MA, which is mainly in the near‐surface layers. We observed loss of selectivity and yield in the centre of the bed at increased bed depths, because of the temperature increase and decrease in gas phase oxygen there. The simulations show sharp λO gradients inside the particles. Near the cooled tube wall λO is strongly affected by the temperature, while at the bed centre gas phase oxygen diffusion limitations contribute to a depleted oxygen surface resulting in lower selectivity.
Discovery of Novel Muscarinic Receptor Modulators by Integrating a Natural Product Framework and a Bioactive Molecule
Authors: Varkhedkar Rajesh , Dogra Shalini , Tiwari Divya , Hussain Yusuf , Yadav Prem Narayan , Pandey Ganesh
Published: January 2018

Muscarinic acetylcholine receptors (mAChRs) are important therapeutic targets for several diseases of the central nervous system and periphery. However, the lack of subtype‐selective ligands for these receptors is a major challenge. A novel approach involving the integration of a natural product framework with a bioactive molecule (iNPBM) by using gephyrotoxin and the isoindoline framework is demonstrated for the discovery of new and selective mAChR modulators. We established a scalable and versatile synthetic scheme to enable the synthesis of various analogues that provided the first structure–activity relationship study of this class of compounds. Pharmacological profiling of these compounds demonstrated several ligands with high affinity and selectivity for mAChRs. Specifically, RG‐06 and RG‐09 were found to be antagonists of M3‐mAChR, whereas RG‐02 was found to be an agonist at M2‐mAChR. Furthermore, RG‐02 exhibited salutary effects in an established pharmacological model of a cognitive deficit in mice.
Clinical Bioavailability of the Novel BACE1 Inhibitor Lanabecestat (AZD3293): Assessment of Tablet Formulations Versus an Oral Solution and the Impact of Gastric pH on Pharmacokinetics
Authors: Ye Naidong , Monk Scott A. , Daga Pankaj , Bender David M. , Rosen Laura B. , Mullen Jamie , Minkwitz Margaret C. , Kugler Alan R.
Published: January 2018

The relative bioavailability of lanabecestat administered as 2 tablet formulations versus an oral solution was investigated. This phase 1 single‐center, open‐label, randomized, 3‐period crossover study involved healthy male and nonfertile female subjects aged 18–55 years (NCT02039180). Subjects received a single 50‐mg lanabecestat dose as solution, tablet A, or tablet B on day 1 of each crossover period; 14 of 16 subjects completed the study. Relative bioavailability based on plasma lanabecestat AUC0–∞ (area under the plasma drug concentration–time curve from zero to infinity) geometric mean ratio versus oral solution (primary variable) was: tablet A, 1.052 (90% confidence interval [CI], 1.001–1.106); tablet B, 1.040 (0.989–1.093). These 90%CIs for geometric mean ratios are within accepted standard bioequivalence boundaries for all other pharmacokinetic (PK) parameters for both lanabecestat and metabolite (AZ13569724). All 3 formulations had similar plasma lanabecestat concentration–time profiles. Six adverse events were reported by 6 subjects (37.5%, all mild). GastroPlus modeling predicted a negligible impact of gastric pH changes on systemic PK (up to pH 7.4). Both tablet formulations fall within standard accepted bioequivalence criteria versus the oral solution. A single 50‐mg lanabecestat dose was well tolerated as a solution or tablet formulation in this population.
A data‐driven approach to modeling power consumption for a hybrid supercomputer
Authors: Sîrbu Alina , Babaoglu Ozalp
Published: January 2018

Power consumption of current High Performance Computing systems has to be reduced by at least one order of magnitude before they can be scaled up towards ExaFLOP performance. While we can expect novel hardware technologies and architectures to contribute towards this goal, significant advances have to come also from software technologies such as proactive and power‐aware scheduling, resource allocation, and fault‐tolerant computing. Development of these software technologies in turn relies heavily on our ability to model and accurately predict power consumption in large computing systems. In this paper, we present a data‐driven model of power consumption for a hybrid supercomputer (which held the top spot in the Green500 ranking in June 2013) that combines CPU, GPU, and MIC technologies to achieve high levels of energy efficiency. Our model takes as input workload characteristics—the number and location of resources that are used by each job at a certain time—and calculates a predicted power consumption at the system level. The model is application‐code‐agnostic and is based solely on a data‐driven predictive approach, where log data describing the past jobs in the system are employed to estimate future power consumption. For this, three different model components are developed and integrated. The first employs support vector regression to predict power usage for jobs before these are started. The second uses a simple heuristic to predict the length of jobs, again before they start. The two predictions are then combined to estimate power consumption due to the job at all computational elements in the system. The third component is a linear model that takes as input the power consumption at the computing units and predicts system‐wide power consumption. Our method achieves highly‐accurate predictions starting solely from workload information and user histories. The model can be applied to power‐aware scheduling and power capping: alternative workload dispatching configurations can be evaluated from a power perspective and more efficient ones can be selected. The methodology outlined here can be easily adapted to other HPC systems where the same types of log data are available.
Short time Fourier transformation and deep neural networks for motor imagery brain computer interface recognition
Authors: Wang Zijian , Cao Lei , Zhang Zuo , Gong Xiaoliang , Sun Yaoru , Wang Haoran
Published: January 2018

Motor imagery (MI) is an important control paradigm in the field of brain‐computer interface (BCI), which enables the recognition of personal intention. So far, numerous methods have been designed to classify EEG signal features for MI task. However, deep neural networks have been seldom applied to analyze EEG signals. In this study, two novel kinds of deep learning schemes based on convolutional neural networks (CNN) and Long Short‐Term Memory (LSTM) were proposed for MI‐classification. The frequency domain representations of EEG signals were obtained using short time Fourier transform (STFT) to train models. Classification results were compared between conventional algorithm, CNN, and LSTM models. Compared with two other methods, CNN algorithms had shown better performance. These conclusions verified that CNN method was promising for MI‐based BCIs.
Towards Sustainable Production of Formic Acid
Authors: Bulushev Dmitri A. , Ross Julian R. H.
Published: January 2018

Formic acid is a widely used commodity chemical. It can be used as a safe, easily handled, and transported source of hydrogen or carbon monoxide for different reactions, including those producing fuels. The review includes historical aspects of formic acid production. It briefly analyzes production based on traditional sources, such as carbon monoxide, methanol, and methane. However, the main emphasis is on the sustainable production of formic acid from biomass and biomass‐derived products through hydrolysis and oxidation processes. New strategies of low‐temperature synthesis from biomass may lead to the utilization of formic acid for the production of fuel additives, such as methanol; upgraded bio‐oil; γ‐valerolactone and its derivatives; and synthesis gas used for the Fischer–Tropsch synthesis of hydrocarbons. Some technological aspects are also considered.
An efficient load balancing method for ad hoc networks
Authors: Singh Jaspreet , Rai C. S.
Published: January 2018

Routing is the most basic and essential operation of any ad hoc network. A mobile ad hoc network presents many challenges, because of the severe resource limitations such as dynamic and varying topology, lack of centralized control, insecure medium, and limited battery power, among others. Therefore, optimization and conservation is the key to success of any ad hoc network operation. In this paper, we propose and define 2 new metrics for ad hoc networks: bandwidth utilization ratio and load index. These metrics can be used as an indicator to measure and monitor the network usability and to improve its efficiency by efficient load distribution. They can be used to predict the additional load that can be accommodated in the network, without causing any congestion or overflows. We also propose a new load balancing routing scheme for ad hoc networks, called efficient load balancing method. This method tries to offset the load on different paths using load index as a metric. Load index is defined as a measure of a node's degree of involvement in the message routing process, which is indicative of its load. To make this algorithm efficient, we limit our routes to a few efficient ones only. This number of alternate routes used, out of the pool of all available routes, is defined as degree of distribution. Simulation results adequately prove the efficiency of proposed method, vis‐à‐vis 2 other load balancing approaches, and these are verified statistically at 99% confidence interval. A p × q factorial design is used to verify that simulation results are the actual measurements and not due to some unknown errors.
Genotyping strategy matters when analyzing hypervariable major histocompatibility complex‐Experience from a passerine bird
Authors: Rekdal Silje L. , Anmarkrud Jarl Andreas , Johnsen Arild , Lifjeld Jan T.
Published: January 2018

Genotyping of classical major histocompatibility complex (MHC) genes is challenging when they are hypervariable and occur in multiple copies. In this study, we used several different approaches to genotype the moderately variable MHC class I exon 3 (MHCIe3) and the highly polymorphic MHC class II exon 2 (MHCIIβe2) in the bluethroat (Luscinia svecica). Two family groups (eight individuals) were sequenced in replicates at both markers using Ion Torrent technology with both a single‐ and a dual‐indexed primer structure. Additionally, MHCIIβe2 was sequenced on Illumina MiSeq. Allele calling was conducted by modifications of the pipeline developed by Sommer et al. (BMC Genomics, 14, 2013, 542) and the software AmpliSAS. While the different genotyping strategies gave largely consistent results for MHCIe3, with a maximum of eight alleles per individual, MHCIIβe2 was remarkably complex with a maximum of 56 MHCIIβe2 alleles called for one individual. Each genotyping strategy detected on average 50%–82% of all MHCIIβe2 alleles per individual, but dropouts were largely allele‐specific and consistent within families for each strategy. The discrepancies among approaches indicate PCR biases caused by the platform‐specific primer tails. Further, AmpliSAS called fewer alleles than the modified Sommer pipeline. Our results demonstrate that allelic dropout is a significant problem when genotyping the hypervariable MHCIIβe2. As these genotyping errors are largely nonrandom and method‐specific, we caution against comparing genotypes across different genotyping strategies. Nevertheless, we conclude that high‐throughput approaches provide a major advance in the challenging task of genotyping hypervariable MHC loci, even though they may not reveal the complete allelic repertoire.
Evolution of a key trait greatly affects underground community assembly process through habitat adaptation in earthworms
Authors: Ikeda Hiroshi , Fukumori Kayoko , Shoda‐Kagaya Etsuko , Takahashi Masamichi , Ito Masamichi T. , Sakai Yoshimi , Matsumoto Kazuma
Published: January 2018

Underground community assemblies have not been studied well compared with aboveground communities, despite their importance for our understanding of whole ecosystems. To investigate underground community assembly over evolutionary timescales, we examined terrestrial earthworm communities (Oligochaeta: Haplotaxida) in conserved mountainous primary forests in Japan as a model system. We collected 553 earthworms mostly from two dominant families, the Megascolecidae and the Lumbricidae, from 12 sites. We constructed a molecular taxonomic unit tree based on the analysis of three genes to examine the effects of a biogeographic factor (dispersal ability) and an evolutionary factor (habitat adaptation) on the earthworm community assembly process. The phylogenetic distance of the earthworm communities among sites was positively correlated with geographic distance when intraspecific variation was included, indicating that the divergence within species was affected by biogeographic factors. The community assembly process in the Megascolecidae has also been affected by environmental conditions in relation to an evolutionary relationship between habitat environment and intestinal cecum type, a trait closely related to habitat depth and diet, whereas that in the Lumbricidae has not been affected as such. Intestinal cecum type showed a pattern of niche conservatism in the Megascolecidae lineage. Our results suggest that investigating the evolution of a key trait related to life history can lead to the clear description of community assembly process over a long timescale and that the community assembly process can differ greatly among related lineages even though they live sympatrically.
Synthesis, Cytotoxicity Evaluation in Human Cell Lines and in Vitro DNA Interaction of a Hetero‐Arylidene‐9(10H)‐Anthrone
Authors: Peixoto Daniela , Figueiredo Margarida , Malta Gabriela , Roma‐Rodrigues Catarina , Baptista Pedro V. , Fernandes Alexandra R. , Barroso Sónia , Carvalho Ana Luísa , Afonso Carlos A. M. , Ferreira Luisa M. , Branco Paula S.
Published: January 2018

A new and never before reported hetero‐arylidene‐9(10H)‐anthrone structure (4) was unexpectedly isolated on reaction of 1,2‐dimethyl‐3‐ethylimidazolium iodide (2) and 9‐anthracenecarboxaldehyde (3) under basic conditions. Its structure was unequivocally confirmed by X‐ray crystallography. No cytotoxicity in human healthy fibroblasts and in two different cancer cell lines was observed, indicating its applicability in biological systems. Compound 4 interacts with CT‐DNA by intercalation between the adjacent base pairs of DNA with a high binding affinity [Kb = 2.0 (±0.20) × 105 m–1], which is 10 × higher than that described for doxorubicin [Kb = 3.2 (±0.23) × 104 m–1]. Furthermore, compound 4 quenches the fluorescence emission of a GelRed–CT‐DNA system with a quenching constant (KSV) of 3.3 (±0.3) × 103 m–1 calculated by the Stern–Volmer equation.
Stable and Sensitive Amperometric Determination of Endocrine Disruptor Bisphenol A at Residual Metal Impurities Within SWCNT
Authors: Kanagavalli Pandiyaraj , Senthil Kumar Shanmugam
Published: January 2018

A simple and attentive method was attempted for the determination of endocrine disruptor molecule, Bisphenol A (BPA) using residual metal impurity act as a reactant present in as received SWCNT. The electrochemical behavior of BPA oxidation and its reaction mechanism was investigated by cyclic voltammetry using “as received SWCNT modified on glassy carbon electrode” (SWCNT/GCE) and the obtained results were compared with bare GCE. The SWCNT/GCE showed high electrocatalytic activity, sensitivity, stability and more importantly not much surface fouling compared with bare GCE. This is because of the formation of electroactive quinone and catechol as byproducts on SWCNT/GCE during electro‐oxidation of BPA. More interestingly, the electrochemically acid treated SWCNT/GCE not showed any characteristic oxidation and reduction peaks during electro‐oxidation of BPA which indicates that the presence of a residual metal impurity in SWCNT plays a vital role in electro‐oxidation of BPA. The amperometric detection of BPA oxidation on SWCNT/GCE showed excellent stability and good linear response from the wide range of concentration of 10–100 μM. The limit of detection and sensitivity of BPA electro‐oxidation on SWCNT/GCE is to be 7.3 μM (S/N=3) and 0.6494 μA/μM cm2 respectively. Finally, the fabricated sensor using SWCNT/GCE was successfully applied for the detection of BPA in plastic water bottles with excellent recovery range from 98–102 %.
An O2 Tolerant Polymer/Glucose Oxidase Based Bioanode as Basis for a Self‐powered Glucose Sensor
Authors: Lopez Francesca , Zerria Sarra , Ruff Adrian , Schuhmann Wolfgang
Published: January 2018

The development of O2 tolerant glucose sensors based on the highly active and robust enzyme glucose oxidase is still a major challenge because of the competition between the natural electron acceptor O2 and free‐diffusing or polymer‐bound artificial electron acceptors. We report the fabrication of a glucose oxidase based bioanode that operates under ambient conditions. Combination of this bioanode with a bilirubin oxidase based biocathode enabled the fabrication of a glucose/O2 powered biofuel cell as integrated power source for a self‐powered device. Glucose oxidase at the anode was electrically wired via a low‐potential redox polymer, i. e. a Toluidine Blue‐modified poly(methacrylate) based polymer, that ensures a high open‐circuit voltage of the biofuel cell but also catalytically reduces O2 and hence requires a protection shield for measurements under ambient conditions. The sensing layer was deposited by means of potential pulse‐assisted co‐deposition of glucose oxidase within the redox polymer and was protected from O2 by a newly proposed lactate oxidase/catalase based O2 removal layer that was immobilized within a hydrophilic redox‐silent polymer on top of the sensing layer. The protection layer was powered by lactate, a natural component in human blood. The biofuel cell exhibited an OCV of ca. 650 mV and the power output was dependent on the glucose concentration without any interference from oxygen providing that lactate was available in the analyte solution.
An improved design to capture magnetic microparticles for capillary electrophoresis based immobilized microenzyme reactors
Authors: Ramana Pranov , Schejbal Jan , Houthoofd Kristof , Martens Johan , Adams Erwin , Augustijns Patrick , Glatz Zdenĕk , Van Schepdael Ann
Published: January 2018

In this paper, we demonstrate the effectiveness of a new 3D printed magnet holder that enables capture of magnetic microparticles in commercially available capillary electrophoresis equipment with a liquid or air based coolant system. The design as well as the method to capture magnetic microparticles inside the capillary are discussed. This setup was tested at temperature and pH values suitable for performing enzymatic reactions. To demonstrate its applicability in CE‐ immobilized microenzyme reactors (IMER) development, human flavin‐containing monooxygenase 3 and bovine serum albumin were immobilized on amino functionalized magnetic microparticles using glutaraldehyde. These microparticles were subsequently used to perform in‐line capillary electrophoresis with clozapine as a model substrate. This setup could be used further to establish CE‐IMERs of other drug metabolic enzymes in a commercially available liquid based capillary coolant system. The CE‐IMER setup was successful, although a subsequent decrease in enzyme activity was observed on repeated runs.
Accurate automated assessment of gully cross‐section geometry using the photogrammetric interface FreeXSapp
Authors: Castillo C. , Marín‐Moreno V.J. , Pérez R. , Muñoz‐Salinas R. , Taguas E.V.
Published: January 2018

During recent years, 3‐D techniques such as LiDAR and Structure‐from‐Motion (SfM) photogrammetry have been increasingly used for gully erosion assessment. However, innovative image‐based approaches based on these advances may also be used to provide accurate cross‐sectional measurements which are less expensive and time‐demanding. In this work, we present the FreeXSapp methodology, a new piece of freely‐available software based on existing SfM tools (MicMac and PMVS2) and augmented‐reality targets (ArUco markers) which performs the automated 3‐D reconstruction, scaling, orientation and analysis of gully cross‐sections (XSs) from images taken from the gully margin using a smartphone camera. As a field application, the volume of a 60‐m‐long medium‐size gully was evaluated, where a total of 10 XSs were measured and analyzed in approximately 30 min. The relative accuracy in estimating width and depth dimensions was in the order of 0.5%, with a precision ratio (relative to the camera–XS distance) of ~1500. Overall, using this methodology showed excellent performance in terms of time and cost requirements when compared with typical 3‐D and conventional 2‐D techniques. The FreeXSapp interface is downloadable for free for Windows operating systems at http://www.uco.es/users/ccastillo/freexsapp. Copyright © 2018 John Wiley & Sons, Ltd.
Terrestrial toxicity model for nickel: Comparison of culture method and modeling approaches
Authors: Jiang Yang , Zhao Xiaopeng , Gu Xueyuan , Gu Cheng , Wang Xiaorong
Published: January 2018

In metal toxicity model studies of soil–plant systems, hydroponic culture is often employed to simulate soil conditions, but the validity of this approach has not been examined. The present study evaluated Ni toxicity to wheat root elongation using models developed in hydroponic and sand cultures and then compared the results with those obtained from real soils. Three mechanism toxicity models were examined: the free ion activity model, the biotic ligand model (BLM), and the Gouy-Chapman-Stern model. After being developed in hydroponic and sand culture bioassays, the models were validated with 18 soils from across China. The results showed that more accurate predictions were obtained with sand rather than hydroponic bioassays. Dissolved organic matter exerted only a limited effect on Ni toxicity, whereas an important role was found for osmotic effects. Of the 3 models, the sand-based BLM best predicted Ni toxicity to wheat root elongation (root-mean-square error = 16.2% and R2 = 0.79) and was as good as the BLM estimated directly from soils. The present study shows that sand is a better matrix than solution for root elongation bioassays of Ni toxicity and that osmotic effects must be taken into account in evaluating soil conditions. Environ Toxicol Chem 2018;37:1349–1358. © 2018 SETAC

Abstract
Ecology of harvest‐driven trait changes and implications for ecosystem management
Authors: Palkovacs Eric P , Moritsch Monica M , Contolini Gina M , Pelletier Fanie
Published: January 2018

Harvest of wild animals and plants is pervasive, exerts ecological and evolutionary pressure on populations, and is known to drive rapid changes in organismal traits. Although the factors that lead to rapid trait changes have received increased attention, the ecological consequences of harvest‐driven trait changes are less appreciated. We review recent evidence that harvest‐driven trait changes can affect community and ecosystem processes. Growing experimental evidence, modeling studies, and field observations have revealed that common responses to harvest include changes in life‐history and behavioral traits, which have the potential to reshape the ecology of harvested systems. On the basis of existing evidence, we propose a set of general mechanisms that link harvest‐driven trait changes to ecological processes, including trophic cascades, nutrient dynamics, keystone interactions, ecosystem stability, and habitat use. Managing harvested ecosystems sustainably may require strategies that account for harvest‐driven trait changes. We recommend that trait changes be monitored closely as part of ecosystem‐based management plans, especially in cases where targeted traits are known to affect important aspects of ecosystem function.
Optimization of physicochemical and textural properties of pizza cheese fortified with soybean oil and carrot extract
Authors: Motevalizadeh Ehsan , Mortazavi Seyed Ali , Milani Elnaz , Hooshmand‐Dalir Moosa Al‐Reza
Published: January 2018

Response surface methodology (RSM) was used to optimize pizza cheese containing carrot extract. The effects of two important independent variables including soybean oil (5%–20%) and carrot extract (5%–20%) were studied on physicochemical and textural properties of pizza cheese containing carrot extract. According to the results, RSM was successfully used for optimizing formulation of pizza cheese containing carrot juice. Results of this study revealed that oil (A), carrot (B), AB, square term of carrot (B2), B, AB, square term of oil (A2), B2, AB, AB, A2B, A2, A2, A, A2, A2, AB, and AB2 had the most effect on moisture, acidity, stretch, L*, a*, b*, hardness, meltability, springiness, peroxide value (PV), cohesiveness, chewiness, gumminess, fracture force, adhesiveness force, stiffness, flavor, and overall acceptability, respectively. A formulation upon 20% oil and 10.88% carrot extract was found as the optimal formulation for pizza cheese containing carrot extract. At the optimal formulation, PV, L*, a*, b*, meltability, stretch, cohesiveness, springiness, gumminess, chewiness, adhesive force, flavor, texture, and overall acceptability at the optimum formulation were measured 2.23, 82.51, −3.69, 18.05, 17.86, 85.61, 0.41, 7.874, 23.7, 0.27, 0.61, 3.50, 3.95, and 3.65, respectively.
Differences in white matter structure and cortical thickness between patients with traumatic and idiopathic chronic neck pain: Associations with cognition and pain modulation?
Authors: Coppieters I. , De Pauw R. , Caeyenberghs K. , Lenoir D. , DeBlaere K. , Genbrugge E. , Meeus M. , Cagnie B.
Published: January 2018

Brain alterations are hypothesized to be present in patients with chronic whiplash‐associated disorders (CWAD). The aim of this case–control study was to examine alterations in cortical thickness and white matter (WM) structure, and the presence of brain microhemorrhages in a patient group encountering chronic neck pain of traumatic origin (i.e., CWAD) when compared with a patient group characterized by nontraumatic chronic neck pain [i.e., chronic idiopathic neck pain (CINP)], and healthy controls. Furthermore, we aimed to investigate associations between brain structure on one hand and cognitive performance and central sensitization (CS) on the other hand. T1‐weighted, diffusion‐weighted and T2*‐weighted magnetic resonance images of the brain were acquired in 105 women (31 controls, 37 CINP, 37 CWAD) to investigate regional cortical thickness, WM structure, and microhemorrhages, respectively. Next, cognitive performance, and CS encompassing distant hyperalgesia and conditioned pain modulation (CPM) efficacy were examined. Cortical thinning in the left precuneus was revealed in CWAD compared with CINP patients. Also, decreased fractional anisotropy, together with increased values of mean diffusivity and radial diffusivity could be observed in the left cingulum hippocampus and tapetum in CWAD compared with CINP, and in the left tapetum in CWAD patients compared with controls. Moreover, the extent of WM structural deficits in the left tapetum coincided with decreased CPM efficacy in the CWAD group. This yields evidence for associations between decreased endogenous pain inhibition, and the degree of regional WM deficits in CWAD. Our results emphasize the role of structural brain alterations in women with CWAD compared with CINP.
Linked data systems for injury surveillance and targeted prevention planning: Identifying geographical differences in injury in Western Australia, 2009‐2012
Authors: Lyle Greg , Hendrie Delia , Miller Ted R. , Randall Sean , Davison Erica
Published: January 2018

Issue addressed

Injuries are a leading preventable cause of disease burden in Australia. Understanding how injuries vary by geographical location is important to guide health promotion planning. Therefore, the geographical and temporal distribution of injury across Western Australia from 2009 to 2012 is explored.

Methods

Three Western Australian health datasets were linked and the expected number of injury cases per postcode calculated. A Standardised Injury Ratio was calculated by comparing the observed and expected number of injury cases. Priority areas and associated injury mechanisms were identified by postcode based on injury rates and temporal trends.

Results

Injury levels varied across health region, health district and postcode. All nonmetropolitan regions had at least one health district classified as High or Medium‐High priority. In contrast, neither metropolitan health region had health districts in these categories. Adopting the finer postcode level of analysis showed localised injury priority areas, even within health districts not classified as High or Medium‐High injury areas. Postcodes classified as High or Medium‐High injury priority were located alongside those with lower priority categories.

Conclusion

Injury prevention priority areas had consistent trends both geographically and over time. Finer scale analysis can provide public health policy makers with more robust information to plan, evaluate and support a range of injury prevention programs.

So what?

The use of linked data systems and spatial analysis can assist health promotion decision‐makers and practitioners by demonstrating area‐based differences in injury prevention allowing effective targeting of limited resources to populations at the highest risk of injury.
Sporting opportunities for people with physical disabilities: Mixed methods study of web‐based searches and sport provider interviews
Authors: Comella Assia , Hassett Leanne , Hunter Kate , Cole Jenni , Sherrington Cathie
Published: January 2018

Issue addressed

To assess web‐based information about sport opportunities for people with physical disabilities and to explore barriers and potential solutions to offering such opportunities from the perspective of sporting organisations.

Methods

A mixed method study was conducted in 2 stages focusing on 26 high‐participation sports. Stage One involved conducting web‐based searches of sporting organisations at national (Australia), state (NSW) and local club levels and auditing the websites to identify the mention of sport opportunities for people with disabilities. Stage Two involved conducting semi‐structured phone interviews with 25 sport providers identified from Stage One to discuss barriers and potential solutions to providing these opportunities. Data from interviews were transcribed verbatim and thematically analysed.

Results

Across 26 sports, 138 organisations (43 national, 33 states, 62 local clubs) were identified. Information about sport opportunities for people with disabilities decreased from national (86% of websites mentioned such opportunities) to state (76%) to club (37%) level. Barriers identified included funding, awareness, lack of coordination between organisations and people's attitudes. Potential solutions included fostering working partnerships and increasing understanding.

Conclusion

Greater awareness within sporting organisations of the role of sport for people with disabilities is needed. Finding information on what disability sport opportunities are available particularly at a local participation level is currently challenging.

So what?

Organisations need to work in partnership within and between sports and with other sectors to provide accessible information and appropriate opportunities. This should be supported by government policy and funding and informed by the needs of people with disabilities.
Twenty years of capacity building and partnership: A case study of a health promotion scholarship program
Authors: Crawford Gemma , Hallett Jonathan , Barnes Asha , Cavill Jamie‐Lee , Clarkson Jo , Shilton Trevor Robert
Published: January 2018

Issue addressed

Building health promotion workforce capacity and infrastructure is critical to ensure a strong evidence base for effective interventions, sustainability and ultimately positive health outcomes for the community. Accordingly, there is a need to build workforce capacity by providing pathways into the health promotion sector with opportunities for core health promotion competency development. Currently, there is a lack of transition programs and graduate‐specific positions in health promotion.

Methods

This study presents a descriptive case study of a 20‐year health promotion scholarships program administered by the Australian Health Promotion Association (WA Branch) and Healthway for health promotion graduates and Aboriginal health workers. Scholarship recipients and supervisors reported on demographics, projects and perspectives on the value of participating in the program.

Results

More than 2 million dollars has been invested to provide health promotion career pathways in WA via 100 scholarships. Key themes relating to program value included as follows: practical application of theoretical concepts; reciprocity; and building skills and capacity in both recipients and supervisors.

Conclusions

The scholarships program results in a number of benefits to the recipient, host organisation and the overall health promotion sector and is an example of long‐term investment to build health promotion capacity with potential for replication.

So what?

Investment in competency‐driven health promotion scholarships to create dedicated health promotion career pathways for new practitioners contributes to the capacity of an effective health promotion workforce.
A facility‐based study of factors associated with perinatal mortality in Tigray, northern Ethiopia
Authors: Goba Gelila K. , Tsegay Hailesilassie , Gebregergs Gebremedhin B. , Mitiku Mengistu , Kim Kimberly A. , Alemayehu Mussie
Published: January 2018

Objective

To identify perinatal mortality risk factors in the Southern Zone of Tigray, northern Ethiopia.

Methods

The present unmatched case–control study included data from 20 health facilities; stillbirths and neonatal deaths were included as a case group and patients with neonates who survived until discharge or day 7 postpartum were included as a control group. Perinatal mortality risk factors were investigated using bivariate and multivariate logistic regression analyses.

Results

There were 126 and 252 patients included in the case and control groups, respectively. Prematurity (adjusted odds ratio [AOR] 12.2; 95% confidence interval [CI] 3.46–43.17; P<0.001), delivery weight below 2500 g (AOR 11.5, 95% CI 3.16–42.36; P<0.001), and fewer prenatal visits (AOR 5.4; 95% CI 0.80–36.63; P=0.028) were determinants of perinatal mortality. Partograph use (AOR 0.2; 95% CI 0.08–0.48; P<0.001) and seeking labor care at the start of labor (AOR 0.1; 95% CI 0.01–0.96; P=0.010) were protective. Short childbirth interval (<2 years) (AOR 2.2; 95% CI 1.03–5.09; P=0.013), distance to facility (AOR 3.7; 95% CI 1.56–9.02; P=0.007), and lack of iron supplementation (AOR 3.3; 95% CI 1.16–9.76; P=0.021) were also predictors of perinatal mortality.

Conclusion

Perinatal mortality was linked to prematurity and low delivery weight. Interventions including partograph and auscultation, as well as subsidizing transport and iron supplementation, could help in this region.
Opportunistic disaster recovery
Authors: Mezghani Farouk , Mitton Nathalie
Published: January 2018

Disaster scenarios require different recovery solutions such as evacuation guidance, to perform the right action for wounded persons and efficiency diffuse useful alert for locating trapped survivors. These latter are constrained mainly by the infrastructure‐less environment caused by the disaster damage (e.g. storm, earthquake). Exploiting opportunistic communications to design recovery solutions presents a promising solution. However, several constraints are encountered, mainly, the multi‐network assortment integrated in mobile equipment and the limited and various battery powers of mobile devices. This work presents a cooperative‐based solution, COPE, that exploits the multi‐network feature of mobile devices and takes the various power levels into account. COPE allows the coverage of a large area for a longer time while guaranteeing an important alert delivery.
Increased risk of congestive heart failure in patients with acetaminophen poisoning: A nationwide cohort study
Authors: Chung Wei‐Sheng , Lin Cheng‐Li
Published: January 2018

Acetaminophen poisoning increases cytochrome P450 2E1 expression and reactive oxygen species production, which may lead to maladaptive myocardial remodeling and congestive heart failure (CHF). We conducted a nationwide cohort study to investigate the incidence and risk of CHF in patients with acetaminophen poisoning. We identified a cohort of adult patients with newly diagnosed acetaminophen poisoning in the inpatient claims of the Taiwan National Health Insurance Research Database for the 1998–2011 period. A comparison cohort was frequency matched at a 4:1 ratio for sex, age and index year. All patients were followed up until the occurrence of CHF, withdrawal from the National Health Insurance program, or December 31, 2011. Cox proportional hazards models were employed to calculate the risk of CHF in the acetaminophen poisoning cohort compared with the comparison cohort, and the hazard ratios with 95% confidence intervals are presented. A total of 3546 and 14 184 patients with and without acetaminophen poisoning were followed up for a total of 25 856 and 102 119 person‐years, respectively. The overall incidence of CHF was higher in the acetaminophen poisoning cohort than in the comparison cohort (8.12 vs. 5.19 per 10 000 person‐years). After adjustment for covariates, the acetaminophen poisoning cohort exhibited a 1.59‐fold higher risk of CHF (adjusted hazard ratio = 1.59; 95% confidence interval = 1.43–1.75) than did the comparison cohort. Patients with acetaminophen poisoning exhibited a significantly higher risk of CHF compared with the comparison cohort. Clinicians should follow up heart function in patients with acetaminophen poisoning.
A frequency‐domain non‐contact photoacoustic microscope based on an adaptive interferometer
Authors: George Deepu , Lloyd Harriet , Silverman Ronald H. , Chitnis Parag V.
Published: January 2018

A frequency‐domain, non‐contact approach to photoacoustic microscopy (PAM) that employs amplitude‐modulated (0.1–1 MHz) laser for excitation (638‐nm pump) in conjunction with a 2‐wave mixing interferometer (532‐nm probe) for non‐contact detection of photoacoustic waves at the specimen surface is presented. A lock‐in amplifier is employed to detect the photoacoustic signal. Illustrative images of tissue‐mimicking phantoms, red‐blood cells and retinal vasculature are presented. Single‐frequency modulation of the pump beam directly provides an image that is equivalent to the 2‐dimensional projection of the image volume. Targets located superficially produce phase modulations in the surface‐reflected probe beam due to surface vibrations as well as direct intensity modulation in the backscattered probe light due to local changes in pressure and/or temperature. In comparison, the observed modulations in the probe beam due to targets located deeper in the specimen, for example, beyond the ballistic photon regime, predominantly consist of phase modulation.
Retracted: Single layer molybdenum disulfide as an optical nanoprobe for 2 photon luminescence and second harmonic generation cell imaging
Authors: Zhong Hong , Lu Lin , Wang Yuanhao , Yang Hongxing
Published: January 2018

More recently, tremendous progress has been achieved in the development of two‐dimensional semiconductor materials applied in catalyst, energy application, sensor device and bioengineering since the birth of graphene isolated from graphite. Layered molybdenum disulfide (MoS2) as an indirect gap semiconductor can efficiently emit photoluminescence (PL) excited by visible light, which shows a great potential in adaptive biological imaging. However, 1 photon PL of MoS2 for cell imaging purposes suffers from strong autofluorescence and ion‐induced PL quenching. Herein, we report single layer small chitosan decorated MoS2 nanosheets as a nonbleaching, nonblinking optical nanoprobe under near infrared femtosecond laser excitation and their applications for strong 2 photon luminescence (TPL) and strong second harmonic generation (SHG) bioimaging. Furthermore, the TPL can resist the ion‐induced quenching on the cellular membrane. The proposed TPL and SHG of single‐layer MoS2 show great potential for real‐time, deep, multiphoton and three‐dimensional bioimaging under low‐power laser excitation.