bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemical processing of interfacially assembled metal nanowires for surface‐enhanced Raman scattering detection of food contaminants
Authors: Duan Bo , Hou Shuai , Wang Peng , Chen Yonghao , Xiong Qirong , Das Paramita , Duan Hongwei
Published: November 2020

We report a new strategy for the fabrication of Ag–Au bimetallic nanowire (NW) arrays by taking advantage of interfacial assembly of plasmonic nanoparticles and galvanic replacement reactions. Galvanic replacement reactions led to the formation of nanospikes on NWs, giving rise to a high density of hotspots across the entire NW array. We employed this NW array as a surface‐enhanced Raman scattering (surface‐enhanced Raman spectroscopy [SERS]) substrate for the detection of two types of food contaminants: thiram (a pesticide) and melamine (an adulterant). Limits of detection (LODs) of 1 and 10 nM were achieved for thiram in juice samples and melamine in milk samples, respectively. Both LODs are lower than the maximum acceptable concentrations imposed by the US government. The results demonstrate tremendous practical potential of Ag–Au NW arrays as surface‐enhanced Raman scattering substrates for the detection of food contaminants.
Correlation between ferromagnetic and isotopic tracers for sentinel lymph node detection in cutaneous melanoma: IMINEM study
Authors: Piñero‐Madrona Antonio , Nicolás‐Ruiz Francisco , Rull‐Ortuño Ramón , Vidal‐Sicart Sergi , Cabañas‐Montero Jacobo , Rioja‐Martín Mª Eugenia , Rodríguez‐Fernández Roberto , Gil‐Olarte María Ángeles , González‐García Beatriz , Sánchez Jesús Hernández‐Gil
Published: November 2020

Background

The usefulness of sentinel lymph node biopsy (SLNB) in staging cutaneous melanoma has been proven. Therefore, different tracers have been used to identify the sentinel lymph nodes (SLNs). The use of isotopic tracers together with radioactivity detectors allowed a much more precise and direct approach to the SLNs. However, not all centres have access to a Nuclear Medicine department hindering sentinel lymph node detection (SLND) and consequently, other markers such as ferromagnetic tracers have been evaluated looking for the same advantages and effectiveness as isotopic tracers. Ferromagnetic tracers have proven their usefulness in other cancer entities such as breast, prostate and thyroid cancer. The objective was to assess the detection and concordance rates between isotopic and ferromagnetic techniques for SLNB in cutaneous melanoma.

Method

Isotopic SLNB technique and ferromagnetic tracer were compared for cutaneous melanoma in a non‐inferiority multicentre prospective study carried out in six Spanish hospitals.

Results

A total of 60 patients were recruited and 133 lymph nodes removed. The detection rate was slightly higher with ferromagnetic tracer in head‐neck and trunk melanomas, and with isotopic tracer in limbs. The patients' and nodes' concordance rates between both techniques for ex vivo samples were 95% and 86% for head‐neck and trunk tumours and 97% and 93% for limbs tumours, respectively. The concordance rates for involved nodes were 100% and 88.2% for patients and nodes, respectively.

Conclusion

The intraoperative detection and biopsy of SLN in cutaneous melanoma using a ferromagnetic was a reliable alternative method to the isotopic technique in cutaneous melanomas.
Effects of systemically administered abaloparatide, an osteoanabolic PTHrP analog, as an adjuvant therapy for spinal fusion in rats
Authors: Arlt Heike , Besschetnova Tatiana , Ominsky Michael S. , Fredericks Douglas C. , Lanske Beate
Published: November 2020

Background

Abaloparatide is a parathyroid hormone receptor agonist that increases bone formation and reduces vertebral and nonvertebral fracture risk in women with postmenopausal osteoporosis. Animal studies indicate abaloparatide stimulates vertebral bone formation and enhances bony bridging and biomechanical stability of fracture calluses.

Aims

The current study is evaluating the potential utility for abaloparatide as an adjunct therapy for spinal fusions.

Material and Methods

The effects of 14 or 28 days of daily subcutaneous injections of abaloparatide (20 μg/kg/d) or vehicle were evaluated in 32 male Sprague‐Dawley rats starting 1 day after noninstrumented posterolateral fusion (PLF) with bone autograft. Fusion mass microarchitecture was analyzed by micro‐computed tomography (micro‐CT) and serum markers of bone formation and bone resorption were evaluated. Motion segments were scored in a blinded manner as fused or unfused by postmortem radiography and manual palpation.

Results

Abaloparatide‐treated rats showed higher bone formation (serum osteocalcin) at day 14 and 28 compared with vehicle controls, without increases in the bone resorption marker serum TRACP‐5b. Micro‐CT showed greater trabecular number in fusion masses from the abaloparatide group vs vehicle controls at day 14. Manual palpation and radiography indicated no fusions in either group at day 14, whereas 25% of vehicle‐treated rats and 50% of abaloparatide‐treated rats had bilateral fusion at day 28.

Discussion and Conclusion

In summary, this rat PLF model showed that abaloparatide treatment was associated with higher levels of the bone formation marker osteocalcin, improved fusion mass architecture, and a non‐ significant 2‐fold higher fusion rate compared with vehicle.
Dynamic modelling of inter‐relationship between tourism, energy consumption, CO2 emissions and economic growth in South Asia
Authors: Selvanathan Eliyathamby A. , Jayasinghe Maneka , Selvanathan Saroja
Published: November 2020

Tourism is an important economic driver and plays a critical role in the economic development of South Asian countries. However, tourism also brings about some inevitable consequences on the environmental quality of these countries. Using the Autoregressive Distributed Lags, Vector Error‐Correction Model and Panel frameworks, we investigate the inter‐relationships between tourism, energy consumption, CO2 emissions and gross domestic product (GDP) in South Asia, using data for the period 1990–2014. We find that, in the long‐run, tourism positively contributes to GDP, CO2 emissions and to the demand for energy; an increase in GDP improves tourism; and an increase in CO2 levels is not a deterrent for tourists to visit South Asia.
On the Impact of Different Lung Ultrasound Imaging Protocols in the Evaluation of Patients Affected by Coronavirus Disease 2019
Authors: Mento Federico , Perrone Tiziano , Macioce Veronica Narvena , Tursi Francesco , Buonsenso Danilo , Torri Elena , Smargiassi Andrea , Inchingolo Riccardo , Soldati Gino , Demi Libertario
Published: November 2020

Lung ultrasound (LUS) is currently being extensively used for the evaluation of patients affected by coronavirus disease 2019. In the past months, several imaging protocols have been proposed in the literature. However, how the different protocols would compare when applied to the same patients had not been investigated yet. To this end, in this multicenter study, we analyzed the outcomes of 4 different LUS imaging protocols, respectively based on 4, 8, 12, and 14 LUS acquisitions, on data from 88 patients. Results show how a 12‐area acquisition system seems to be a good tradeoff between the acquisition time and accuracy.
Evaluating the Mechanisms of Landscape Change on White‐Tailed Deer Populations
Authors: Laurent Maud , Dickie Melanie , Becker Marcus , Serrouya Robert , Boutin Stan
Published: November 2020

Understanding how landscape change influences the distribution and densities of species, and the consequences of these changes, is a central question in modern ecology. The distribution of white‐tailed deer (Odocoileus virginianus) is expanding across North America, and in some areas, this pattern has led to an increase in predators and consequently higher predation rates on woodland caribou (Rangifer tarandus caribou)—an alternate prey species that is declining across western Canada. Understanding the factors influencing deer distribution has therefore become important for effective conservation of caribou in Canada. Changing climate and anthropogenic landscape alteration are hypothesized to facilitate white‐tailed deer expansion. Yet, climate and habitat alteration are spatiotemporally correlated, making these factors difficult to isolate. Our study evaluates the relative effects of snow conditions and human‐modified habitat (habitat alteration) across space on white‐tailed deer presence and relative density. We modeled deer response to snow depth and anthropogenic habitat alteration across a large latitudinal gradient (49° to 60°) in Alberta, Canada, using motion‐sensitive camera data collected in winter and spring from 2015 to 2019. Deer distribution in winter and spring were best explained by models including both snow depth and habitat alteration. Sites with shallower snow had higher deer presence regardless of latitude. Increased habitat alteration increased deer presence in the northern portion of the study area only. Winter deer density was best explained by snow depth only, whereas spring density was best explained by both habitat alteration and the previous winter's snow depth. Our results suggest that limiting future habitat alteration or restoring habitat can alter deer distribution, thereby potentially slowing or reversing expansion, but that climate plays a significant role beyond what managers can influence. © 2020 The Wildlife Society.
Rate constants for the reactions of F atoms with H2and D2over the temperature range 220‐960 K
Authors: Bedjanian Yuri
Published: November 2020

The kinetics of the reactions of F atoms with hydrogen and deuterium has been studied in a discharge flow reactor combined with an electron impact ionization quadrupole mass spectrometer at nearly 2 Torr total pressure of helium and in the temperature range 220‐960 K. The rate constant of the reaction F + H2 → HF + H (1) was determined using both relative rate method (using reaction F + Br2as a reference) and absolute measurements, monitoring the kinetics of F atom consumption in excess of H2:k1 = (1.24 ± 0.09) × 10−10exp(−(507 ± 23)/T) cm3 molecule−1 s−1. The rate constant of the reaction F + D2 → DF + D (2) was measured under pseudo‐first‐order conditions in excess of D2over F atoms:k2 = (8.47 ± 0.42) × 10−11exp(−(670 ± 16)/T) cm3 molecule−1 s−1(the uncertainties on bothk1andk2represent precision at the 2σlevel, the estimated total uncertainty on the rate constants being 15% at all temperatures). The kinetic isotope effect measured independently,k1/k2 = (1.58 ± 0.05) × exp((131 ± 2)/T), was found to be in excellent agreement (within 7% in the temperature range of the work,T = 220‐960 K) with the ratio ofk1tok2calculated with the Arrhenius expressions fork1andk2determined in the study. The kinetic data from the present work are discussed in comparison with previous measurements and theoretical calculations.
Analysis of the Curative Effect of Alexandrite Laser in the Treatment of Venous Lake of Lips
Authors: Wang Zhihan , Ke Chen , Yang Ming , Lai Min , Qi Nian , Ke Youhui
Published: November 2020

Background and Objectives

Laser is being widely used in clinical treatment nowadays, including 755 nm Alexandrite laser [1,2]. This study was conducted to examine the clinical outcome of long‐pulse 755 nm Alexandrite laser in the treatment of venous lake of the lip.

Study Design/Materials and Methods

Forty‐one patients (2015–2019) were reviewed. The clinical outcomes were assessed 1 month after the treatment. The efficacy of the treatment was classified into four categories: basic recovery (most optimal outcome), effective, improvement, and ineffective (least favorable outcome). Adverse reactions were also recorded.

Results

Thirty‐three (80.49%) patients achieved basic recovery and 8 (19.51%) were effective; 29 (70.73%) recovered after receiving one treatment, 3 (7.32%) recovered after receiving two treatments, and 1 (2.44%) recovered after three treatments.

Conclusion

Long‐pulse 755 nm Alexandrite laser is an effective treatment for the venous lake of the lip. Lasers Surg. Med. © 2020 Wiley Periodicals LLC
Evaluation of major historical ICR cell designs using electric field simulations
Authors: Nikolaev Evgeny , Lioznov Anton
Published: November 2020

In Fourier‐transform ion cyclotron resonance mass spectrometry, ions are detected by measuring image current induced in the detecting electrodes by trapped ions rotating in a magnetic field at their cyclotron frequencies. The ion trap used for this purpose is called the Penning trap. It can have various configurations of electrodes that are used to create a trapping electric field, to excite cyclotron motion, and to detect the induced signal. The evolution of this type of mass spectrometry is mainly driven by progress in the technology of superconducting magnets and in the constantly improved design of the ion cyclotron resonance (ICR) measuring cell. In this review, we focus on ICR cell designs. We consider that the driving forces of this evolution are the desire to increase resolution, mass accuracy and dynamic range, as well as to adapt new methods for creating and trapping ions.
Evaluating and minimizing batch effects in metabolomics
Authors: Han Wei , Li Liang
Published: November 2020

Determining metabolomic differences among samples of different phenotypes is a critical component of metabolomics research. With the rapid advances in analytical tools such as ultrahigh‐resolution chromatography and mass spectrometry, an increasing number of metabolites can now be profiled with high quantification accuracy. The increased detectability and accuracy raise the level of stringiness required to reduce or control any experimental artifacts that can interfere with the measurement of phenotype‐related metabolome changes. One of the artifacts is the batch effect that can be caused by multiple sources. In this review, we discuss the origins of batch effects, approaches to detect interbatch variations, and methods to correct unwanted data variability due to batch effects. We recognize that minimizing batch effects is currently an active research area, yet a very challenging task from both experimental and data processing perspectives. Thus, we try to be critical in describing the performance of a reported method with the hope of stimulating further studies for improving existing methods or developing new methods.
Mass spectrometry in the diagnosis of thyroid disease and in the study of thyroid hormone metabolism
Authors: Borsò Marco , Agretti Patrizia , Zucchi Riccardo , Saba Alessandro
Published: November 2020

The importance of thyroid hormones in the regulation of development, growth, and energy metabolism is well known. Over the last decades, mass spectrometry has been extensively used to investigate thyroid hormone metabolism and to discover and characterize new molecules involved in thyroid hormones production, such as thyrotropin‐releasing hormone. In the earlier period, the quantification methods, usually based on gas chromatography–mass spectrometry, were complicated and time consuming. They were mainly focused on basic research, and were not suitable for clinical diagnostics on a routine basis. The development of the modern mass spectrometers, mainly coupled to liquid chromatography, enabled simpler sample preparation procedures, and the accurate quantification of thyroid hormones, of their precursors, and of their metabolites in biological fluids, tissues, and cells became feasible. Nowadays, molecules of physiological and pathological interest can be assayed also for diagnostic purposes on a routine basis, and mass spectrometry is slowly entering the clinical laboratory. This review takes stock of the advancements in the field of thyroid metabolism that were carried out with mass spectrometry, with special focus on the use of this technique for the quantification of molecules involved in thyroid diseases.
Bacterioplankton response to nitrogen and dissolved organic matter produced from salmon mucus
Authors: Molina Verónica , Fernández Camila
Published: November 2020

Aquaculture releases organic matter to the water column through excretion, fecal pellets, and uneaten food, but also by the continuous release of fish epithelium mucus. The effect of the latter on natural bacterial assemblages was determined using ammonium amended experiments at Puyuhuapi fjord in Chilean Patagonia. Mucus was added to seawater coming from 2 and 100 m depth and ammonium, nitrite and nitrate, dissolved organic carbon (DOC), picoplankton abundance, and active composition (i‐tag 16S rRNA) were followed for 24 h. The results showed a significant response from the microbial community but only at surface depth after 2 and 6 h of incubation. A reduction of DOC and ammonium concentration and accumulation of nitrite and nitrate over time was observed, mainly at 100 m. Changes in the composition of active bacteria between treatments were observed at different taxonomic levels, associated with Alphaproteobacteria (Clade SAR11), Bacteroidetes (Polaribacter) and Gammaproteobacteria (Colwellia, Oceaniserpentilla) and other bacteria such as Nitrospina sp, a nitrite‐oxidizing bacteria at some hours during the incubation. Fish pathogens, such as Vibrio and Piscirickettsia were rare (<0.02%). Overall, our study suggests that fish mucus can cause rapid modifications in microbial assemblages and stimulate organic matter and nutrient cycling, including heterotrophic and autotrophic (nitrification) in areas influenced by aquaculture.
Pseudo almost periodic solutions of infinite class under the light of measure theory and applications
Authors: Zabsonre Issa , Votsia Djokata
Published: November 2020

The aim of this work is to present a new approach to study weighted pseudo almost periodic functions with infinite delay using the measure theory. We study the existence and uniqueness of (μ, ν)‐pseudo almost periodic solutions of infinite class for some neutral partial functional differential equations in a Banach space when the delay is distributed on ] − ∞, 0].
A miniaturized ultra‐wideband antenna using “modified” rectangular patch with rejection in WiMAX and WLAN bands
Authors: Garg Rahul Kumar , Nair Maroor Vikraman Deepak , Singhal Sarthak , Tomar Raghuvir
Published: November 2020

A new miniaturized ultra‐wideband antenna with sufficient dual‐band rejection in WiMAX and WLAN bands is reported. The antenna uses the conventional rectangular patch radiator with built‐in sectorial and Inverted‐U slots to achieve the required dual‐band rejections. A coplanar waveguide feed line has been used to achieve the ultra‐wideband operation. The design has been implemented on 1.6 mm thick FR‐4 substrate. The design size is 20 × 26 mm2 (0.16 λL × 0.208 λL in terms of wavelength). An impedance bandwidth of 2.4 GHz to 10.5 GHz has been achieved. Pass‐band gain of 7 dBi and stop‐band gain of −4 dBi have been achieved. Experimental results agree well with simulated results.
Assessment of DNA damage with an adapted independent reaction time approach implemented in Geant4‐DNA for the simulation of diffusion‐controlled reactions between radio‐induced reactive species and a chromatin fiber
Authors: Tran Hoang Ngoc , Ramos‐Méndez José , Shin Wook‐Geun , Perrot Yann , Faddegon Bruce , Okada Shogo , Karamitros Mathieu , Davídková Marie , Štěpán Václav , Incerti Sébastien , Villagrasa Carmen
Published: November 2020

Purpose

Simulation of indirect damage originating from the attack of free radical species produced by ionizing radiation on biological molecules based on the independent pair approximation is investigated in this work. In addition, a new approach, relying on the independent pair approximation that is at the origin of the independent reaction time (IRT) method, is proposed in the chemical stage of Geant4‐DNA.

Methods

This new approach has been designed to respect the current Geant4‐DNA chemistry framework while proposing a variant IRT method. Based on the synchronous algorithm, this implementation allows us to access the information concerning the position of radicals and may make it more convenient for biological damage simulations. Estimates of the evolution of free species as well as biological hits in a segment of DNA chromatin fiber in Geant4‐DNA were compared for the dynamic time step approach of the step‐by‐step (SBS) method, currently used in Geant4‐DNA, and this newly implemented IRT.

Results

Results show a gain in computation time of a factor of 30 for high LET particle tracks with a better than 10% agreement on the number of DNA hits between the value obtained with the IRT method as implemented in this work and the SBS method currently available in Geant4‐DNA.

Conclusion

Offering in Geant4‐DNA more efficient methods for the chemical step based on the IRT method is a task in progress. For the calculation of biological damage, information on the position of chemical species is a crucial point. This can be achieved using the method presented in this paper.
Robust water–fat separation based on deep learning model exploring multi‐echo nature of mGRE
Authors: Liu Kewen , Li Xiaojun , Li Zhao , Chen Yalei , Xiong Hongxia , Chen Fang , Bao Qinjia , Liu Chaoyang
Published: November 2020

Purpose

To design a new deep learning network for fast and accurate water–fat separation by exploring the correlations between multiple echoes in multi‐echo gradient‐recalled echo (mGRE) sequence and evaluate the generalization capabilities of the network for different echo times, field inhomogeneities, and imaging regions.

Methods

A new multi‐echo bidirectional convolutional residual network (MEBCRN) was designed to separate water and fat images in a fast and accurate manner for the mGRE data. This new MEBCRN network contains 2 main modules, the first 1 is the feature extraction module, which learns the correlations between consecutive echoes, and the other one is the water–fat separation module that processes the feature information extracted from the feature extraction module. The multi‐layer feature fusion (MLFF) mechanism and residual structure were adopted in the water–fat separation module to increase separation accuracy and robustness. Moreover, we trained the network using in vivo abdomen images and tested it on the abdomen, knee, and wrist images.

Results

The results showed that the proposed network could separate water and fat images accurately. The comparison of the proposed network and other deep learning methods shows the advantage in both quantitative metrics and robustness for different TEs, field inhomogeneities, and images acquired for various imaging regions.

Conclusion

The proposed network could learn the correlations between consecutive echoes and separate water and fat images effectively. The deep learning method has certain generalization capabilities for TEs and field inhomogeneity. Although the network was trained only in vivo abdomen images, it could be applied for different imaging regions.
Liked on Facebook, liked for real?: Nonprofits' online popularity and financial performance
Authors: Lee Young‐Joo
Published: November 2020

Despite the increasing strategic importance of online popularity, there remain uncertainties about the direct link between nonprofits' online popularity and organizational outcomes and performance. This study examines the relationship between the number of “likes” on a nonprofit arts organization's Facebook page and its financial performance, focusing on how online popularity may reduce the information asymmetry between an organization and its stakeholders. The results show a positive correlation between the number of “likes” and nonprofits' charitable contributions and earned income while controlling for various organizational characteristics, including size. The findings also reveal that the correlation is twice as strong for earned income as for donations.
Factors related to mammography adherence among women in Brazil: A scoping review
Authors: Moreira Camila Brasil , Dahinten V. Susan , Howard A. Fuchsia , Fernandes Ana Fátima Carvalho , Schirmer Janine
Published: November 2020

Aim

To explore and synthesize the literature on factors related to mammography screening adherence among women in Brazil.

Design

A scoping review.

Methods

We searched 11 databases for studies published between 2006–January 2020. All identified articles were screened, and data were extracted from eligible studies. We used the UK Government Social Research Service weight of evidence appraisal tool to appraise the quality of the included study.

Results

From a total of 1,384 identified articles, 22 were retained. All included studies used quantitative, non‐experimental methods and all but two studies used cross‐sectional data. Quality of evidence varied across studies. We identified 41 factors that were investigated across the set of studies. Demographic and socio‐economic factors were the most commonly investigated, with older age, urban residence, living in the southeast of Brazil, higher level of education, higher income and private health insurance most consistently associated with mammography adherence.
Dynamics of volatility and comovement in Indian industrial sector: Evidence from the DCC‐MGARCH model
Authors: Dash Atish K.
Published: November 2020

One strand of business cycle research focuses on the analysis of the comovement of business cycle variables at the aggregate and sectoral levels. Following this line of research, this article examines the volatility and inter‐industry comovement of output in the context of India for the post‐liberalisation period, that is, April 1992–December 2019. The study employs the dynamic conditional correlation‐multivariate generalised autoregressive conditional heteroscedasticity framework and thereby estimates the conditional variance and the time‐varying correlations. The results indicate that the volatilities of the capital goods sector and consumer durables sector relative to that of the aggregate industrial sector are higher, suggesting a higher amplitude of growth rates in these sectors. The conditional correlation estimates reveal that the use‐based sectors are positively correlated with the aggregate industry, and the capital goods sector has the highest correlation with the aggregate sector. Given that the capital goods sector is crucial for the development of the economy, it is essential to bring more stability and sustain growth in this sector. The results further point towards positive but relatively weak correlations between the pair of sectors. The finding of positive correlation underscores the comovement of different groups of industries. The relatively weak correlations between the pairs of use‐based sectors might be because of a lower degree of transmission of shocks from one use‐based sector to another.
Health Workers' knowledge and perception regarding the risk of spread of COVID‐19 during the pandemic: A systematic review
Authors: Polychronis Giannis , Roupa Zoe
Published: November 2020

Certain Health Workers (HWs) may have inadequate knowledge and perceptions regarding COVID‐19. As a result, they may not be completely aware of the danger/risk involved, which could impact their ability to control the spread of the virus. This systematic review aims to enhance HWs' knowledge and their perception of the spread risk of COVID‐19 during the pandemic. A search was conducted in four databases (Medline, CINAHL, Scopus, and ScienceDirect) to locate peer‐reviewed studies published in English between January 2020 and April 2020. Eventually, nine articles satisfied the inclusion criteria and were, therefore, included in the present study. Six of the aforementioned studies specifically investigated HWs' perception of risk. Apart from a study that indicated medium perception (min = 56.5%), all other studies found high levels of risk perception (n = 5, max 92.1%). As for HWs' knowledge, apart from two studies that indicated medium percentage levels (min = 56.5%), the rest of the studies report high percentages (n = 7, max = 93.2%). Two of the studies, which assessed the sources of information that HWs use, agree that social media is the most widely used source of information. The findings of this study suggest that HWs had a satisfactory perception of risk during the spread of COVID‐19. Although fields with medium knowledge levels were identified, HWs' overall knowledge may also be described as satisfactory. It is also noted that certain demographic characteristics (occupation, age, and years of experience) appear to affect HWs' knowledge and perceptions. The application of educational strategies aiming to provide continuous support to HWs is unanimously recommended by all studies.
Organo‐montmorillonite modified wood flour/poly (lactic acid) composites via different modification process
Authors: Wang Zhiping , Wang Chen , Qin Ye , Huang Anmin , Liu Ru
Published: November 2020

In this paper, four varieties of wood flour (WF)/poly (lactic acid) (PLA) composites by organo‐montmorillonite (OMMT) modification were fabricated via different modification process. The distribution of OMMT was characterized and the mechanical capacities of these composites were tested. After different OMMT‐modified process, the mechanical capacities of composites were distinctly different. However, except for the impact strength, almost the whole mechanical capacities showed improvements after modifying by OMMT; composite made of pure PLA and OMMT‐modified WF behaved the best mechanical properties, while composite made of pure WF and OMMT‐modified PLA behaved the worst; either for PLA modified by OMMT or WF/PLA composites modified by OMMT, the existence of the OMMT aggregates could cause damage to the mechanical properties. However, intercalated OMMT into WF or WF/PLA composite was beneficial to the mechanical properties.
U.S. trends in prescription nonsteroidal anti‐inflammatory drug use among patients with cardiovascular disease, 1988–2016
Authors: Hwang Andrew Y. , Smith Steven M.
Published: November 2020

Background

Nonsteroidal antiinflammatory drugs (NSAIDs) have been associated with increased risk of adverse cardiovascular events prompting labeling revisions cautioning their use among patients with cardiovascular disease (CVD). However, little is known regarding long‐term trends in real‐world prescribing of NSAIDs within the CVD population. We aimed to characterize the use of prescription NSAIDs among U.S. adults with CVD from 1988 to 2016.

Methods

We used the National Health and Nutrition Examination Survey cross‐sectional data from 1988–1994 and 19992016 to identify participants aged greater than or equal to 18 years with hypertension (defined by self‐report, mean blood pressure ≥ 140/90 mm Hg, or antihypertensive medication use), or aged greater than or equal to 20 years with self‐reported congestive heart failure (CHF), coronary heart disease (CHD), angina, myocardial infarction (MI), or stroke. Prevalence of prescription NSAID use was analyzed in 6‐year examination periods. Weighted logistic regression was performed to test time trends in prescription NSAID use.

Results

Overall, prescription NSAID use declined among all CVD populations. The highest prevalence of overall prescription NSAID use was observed during the 1999–2004 examination years, thereafter declining through the 2005–2010 and 2011–2016 examination years: in patients with hypertension (13.9% [1999–2004] to 8.5% [2011–2016]), CHF (14.6%–8.5%), CHD (16.3%–7.4%), angina (17.6%–8.5%), MI (16.1%–9.0%), and stroke (15.7%–7.9%). Decreased use of COX‐2‐selective inhibitors was observed during the same period; whereas, nonselective NSAID use remained relatively stable. Trends in prescription NSAID use were reflective of the general adult population.

Conclusions

Prescription NSAID use among patients with CVD appears to have declined from 1988 to 2016, primarily due to reduced COX‐2‐selective inhibitor use. Nonetheless, the prevalence of prescription NSAIDs has persisted among a subset of high‐risk CVD populations.
Radical photoinduced cationic frontal polymerization in porous media
Authors: Maugeri Daniele , Sangermano Marco , Leterrier Yves
Published: November 2020

Two different interpenetrating phase composites were produced using a radical photoinduced cationic frontal polymerization process. The composites were based on polyurethane (PU) and aluminium open‐cell foams impregnated with a formulation of a cycloaliphatic epoxy with different concentrations of a cationic photoinitiator and a thermal initiator. The influence of both types of initiators on the frontal polymerization features was systematically evaluated for the PU foam. It was found to occur only when the concentration of both initiators was greater than 0.5 wt%, leading to full conversion of the epoxy in the whole volume of the 15 mm thick composite samples within less than 100 s. The maximum temperature reached by the propagation front was in the range 275–305 °C depending on the type of formulation, leading to pores in the epoxy phase and extensive degradation of the PU phase. In the case of the opaque aluminium foam, an additional layer of pure resin was required on the UV‐exposed surface, which corresponded to a critical mass of a few grams to ensure sufficient heat generation and trigger the front propagation. © 2020 Society of Chemical Industry
Centrality of the childhood cancer experience and its relation to post‐traumatic stress and growth
Authors: Cook Jessica L. , Russell Kathryn , Long Alanna , Phipps Sean
Published: November 2020

Objective

Event centrality, the degree to which a traumatic event is perceived as central to one's identity, has been associated with post‐traumatic stress (PTS) symptoms and post‐traumatic growth (PTG) outcomes in various trauma samples. Trauma frameworks are widely used to understand the psychological impact of pediatric cancer; however, event centrality has not been studied in this population. We investigated event centrality in pediatric cancer survivors and healthy comparisons, and its relation with PTS and PTG outcomes.

Method

Cancer survivors, age 13–23 (N = 196) and healthy comparisons (N = 131) completed the Centrality of Events Scale and PTS and PTG measures in reference to their most traumatic life event. Cancer survivors who first identified a non‐cancer‐related event repeated all measures in reference to cancer.

Results

Centrality scores were significantly higher when referencing cancer compared to non‐cancer events, even in survivors for whom cancer was not rated as most stressful (53.1%). Centrality scores for non‐cancer events were not significantly different between survivors and healthy comparisons. Event centrality showed significant positive relations to both PTS and PTG outcomes.

Conclusion

The pediatric cancer experience is perceived as central to survivors' identity regardless of whether the experience is perceived as highly traumatic. Centrality of cancer is a significant predictor of both positive and negative psychological outcomes in cancer survivors.
Long‐term response of Norway spruce to seed treatment with cold plasma: Dependence of the effects on the genotype
Authors: Sirgedaitė‐Šėžienė Vaida , Mildažienė Vida , Žemaitis Povilas , Ivankov Anatolii , Koga Kazunori , Shiratani Masaharu , Baliuckas Virgilijus
Published: November 2020

The effects of presowing seed treatment with cold plasma (CP) on seedling growth during the first two vegetation seasons and their ability to synthesize phenolic compounds and photosynthetic pigments were compared in seedlings from seven spruce half‐sib families. Seeds were treated with atmospheric dielectric barrier discharge plasma for 1 and 2 min. The results revealed that CP treatment‐induced changes in the tested morphometric and biochemical parameters were strongly dependent on the genotype. The family 477 most positively responded to CP treatments and displayed accelerated growth, combined with a strong increase in pigment and total phenolic content. CP treatment was least effective in families 541, 577, and 599, whereas the response in families 457, 463, and 548 was ranked as intermediate.
An overview of low‐temperature plasma surface modification of carbon materials for removal of pollutants from liquid and gas phases
Authors: Huang Yao‐wei , Yu Qiong‐fen , Li Ming , Sun Sheng‐nan , Zhao Hong , Jin Shao‐xuan , Fan Jie , Wang Jian‐gen
Published: November 2020

As a promising surface treatment technique, low‐temperature plasma (LTP) technology has been widely used over the past two decades. Herein, the surface modification of carbon materials using LTP treatment is reviewed to clarify the modification effects. First, the basic details of LTP treatment are summarized. Second, the surface morphology, pore structure, surface chemistry, adsorption performance, and catalytic characteristics of LTP‐treated carbon materials are reviewed. Finally, the research required to further develop LTP technology for the surface modification of carbon materials is discussed. This review will contribute toward advancing the application of LTP‐treated carbon materials in environmental pollution control.
Prefusion spike protein stabilization through computational mutagenesis
Authors: Zhang Dong Yan , Wang Jian , Dokholyan Nikolay V.
Published: November 2020

A novel severe acute respiratory syndrome (SARS)‐like coronavirus (SARS‐CoV‐2) has emerged as a human pathogen, causing global pandemic and resulting in over 400 000 deaths worldwide. The surface spike protein of SARS‐CoV‐2 mediates the process of coronavirus entry into human cells by binding angiotensin‐converting enzyme 2 (ACE2). Due to the critical role in viral‐host interaction and the exposure of spike protein, it has been a focus of most vaccines' developments. However, the structural and biochemical studies of the spike protein are challenging because it is thermodynamically metastable. Here, we develop a new pipeline that automatically identifies mutants that thermodynamically stabilize the spike protein. Our pipeline integrates bioinformatics analysis of conserved residues, motion dynamics from molecular dynamics simulations, and other structural analysis to identify residues that significantly contribute to the thermodynamic stability of the spike protein. We then utilize our previously developed protein design tool, Eris, to predict thermodynamically stabilizing mutations in proteins. We validate the ability of our pipeline to identify protein stabilization mutants through known prefusion spike protein mutants. We finally utilize the pipeline to identify new prefusion spike protein stabilization mutants.
Quantification of insecticide spatial distribution within individual citrus trees and efficacy through Asian citrus psyllid reductions under different application methods
Authors: Rehberg Rachelle A , Trivedi Pankaj , Bahureksa William , Sharp Julia L , Stokes Sean C , Menger Ruth F , Borch Thomas
Published: November 2020

BACKGROUND

Citrus greening disease (Huanglongbing, HLB) has infected >90% of Florida's oranges and thus growers are desperate to improve pest management strategies. In this field study, insecticide application efficacy was investigated with liquid chromatography mass spectrometry to determine if insecticide concentration and distribution were effective at killing the target pest Asian citrus psyllids (ACP). Sample discs attached to leaves were sprayed with imidacloprid and malathion at a field site in Florida. Application method, canopy height and depth, cardinal side of tree, and leaf side were considered to assess the spatial distribution of insecticides throughout citrus trees. Furthermore, ACP were inspected before and after insecticide applications to quantify psyllid population response.

RESULTS

Our findings show that although insecticide concentrations were high enough to kill ACP, the spatial distribution of insecticides throughout individual trees was highly variable and live ACP were detected after insecticide application. The top side of leaves received significantly more insecticide than the underside of leaves. Additionally, inadequate distribution to different areas of the tree canopy was observed for all application methods tested (aerial, ground speed‐sprayer, and ground side‐sprayer). Inspections of ACP populations before and after insecticide applications resulted in reductions of 85% (malathion) and 48–80% (imidacloprid).

CONCLUSIONS

The variability in insecticide spatial distribution due to application method allows remaining ACP to continue spreading citrus greening disease to unprotected trees. Further research is needed to improve insecticide application methods and technology for citrus trees in order to implement effective pest management strategies and fully target ACP to eliminate HLB. © 2020 Society of Chemical Industry
Evidence for the association of target‐site resistance in cyp51 with reduced DMI sensitivity in EuropeanCercospora beticola field isolates
Authors: Muellender Maximilian M , Mahlein Anne‐Katrin , Stammler Gerd , Varrelmann Mark
Published: November 2020

BACKGROUND

Cercospora leaf spot caused by Cercospora beticola is the most relevant foliar disease in sugar beet cultivation. In the last decade a decreasing sensitivity of C. beticola towards demethylation inhibitors (DMIs) occurred. Different mechanisms mediating a reduced sensitivity towards DMIs have been identified in different plant pathogens to date, such as target site mutations, over‐expression or active excretion of the fungicide.

RESULTS

A sequencing of the cytochrome P450‐dependent sterol 14α‐demethylase gene sequence (cyp51) of diverse C. beticola isolates collected in different European countries with reduced DMI sensitivity was performed in order to find a possible correlation of mutations with higher EC50 values. The amino acid alterations Y464S, L144F and I309T combined with L144F were found to be associated with a reduced sensitivity. Furthermore, mutations I387M, M145W and M145W with E460Q were found uniquely. Additionally, constitutive and fungicide triggered expression of cyp51 was assayed by means of RT‐qPCR. A very strong induction of cyp51 mRNA expression in sensitive isolates suggests that the fungal cells upregulate expression to maintain ergosterol biosynthesis in DMI presence. The less intensive cyp51 induction in isolates with higher EC50 values underlines the possible correlation of the found target‐site mutations with reduced sensitivity.

CONCLUSION

This study provides new results about possible alterations in the target gene mediating reduced sensitivity of C. beticola towards DMIs and hypothesized a fungicide induced over‐expression of the target enzyme CYP51 as natural reaction of the fungus to fungicide application. © 2020 Society of Chemical Industry
Evaluation of the performances of different atomic charge and nonelectrostatic models in the finite‐difference Poisson–Boltzmann approach
Authors: Vassetti Dario , Labat Frédéric
Published: November 2020

In this work, we investigate the effects of different atomic charge and nonelectrostatic models on the hydration energies of neutral molecules, using an implicit solvation model. The solvation free energy is divided into two main components, the first resulting from a self‐consistent reaction field treatment of the bulk electrostatics obtained by solving the Poisson equation in a finite‐difference (FD) approach where the solute charge density is approximated by atomic charges, the second corresponding to short‐range interactions between the solute and the solvent in the first solvation shell. Five different atomic charge models (Mulliken, Hirshfeld, Hirshfeld‐I, CM5 and its iterative version, CM5‐I) have been considered, both at the Hartree–Fock (HF) and B3LYP levels, with three different basis sets, alongside two nonelectrostatic models including the cavity, dispersion, and solvent structural effects (CDS) model. Averaging over the three considered basis sets, Hirshfeld charges combined to the CDS model led to the lowest mean unsigned error (MUE), with a value of 0.92 kcal/mol with respect to the experimental data. On the other hand, a MUE of 2.02 kcal/mol was obtained with CM5 charges combined to the CDS model, highlighting the low transferability of the original CDS parameters developed for the generalized Born electrostatics to a different electrostatics model. By scaling down the CM5 charges to better balance with the original CDS model, a MUE of 0.68 kcal/mol was however obtained, outlining the delicate balance existing between the electrostatic and nonelectrostatic contributions to the solvation free energy in implicit solvation models.
Extensive generation and characterization of ion clusters by silicopolyoxometalate anions under matrix‐assisted laser desorption/ionization conditions in the gas phase
Authors: Bai Yunpeng , Chen Hua , Wu Shuixing , Wang Guangwen , Li Yingbang , Liu Yanling , Huang Yisheng
Published: November 2020

Rationale

The research area of ion clusters has helped to enrich the study of chemical bonding theory, clarify the crystal nucleation process and investigate the cluster ion–molecule reactions. The mass spectrometry (MS) technique, especially high‐resolution MS, is an important method for investigating ion clusters in the gas phase. As polyoxometalates (POMs) have been attracting considerable interest in biochemistry, medicine and materials science due to their excellent structural and electronic features it is important to characterize these clusters by MS.

Methods

Singly negatively charged molybdenum‐containing and tungsten‐containing ion clusters with different matrices were produced by Keggin‐type silicopolyoxometalate anions under matrix‐assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (MALDI‐FTICR MS) conditions.

Results

The matrices displayed an obvious influence on the formation of ion clusters. It was found that the molybdenum‐containing ion species [(HSiO3)(MoO3)n]−, [(SiO2)m(MoO3)n(H2O)x] −•, [(OH)(MoO3)n]−•, [(MoO3)n]‐•, and [HxSiMoyOz]− were the main ion series in the mass spectra. For the tungsten‐containing ion clusters, [(HSiO3)(WO3)n]−, [(C8H5Om)(WO3)n(H2O)x]−, [(OH)(WO3)n]−, and [(WO3)n]‐• were the main ion species in the mass spectra, and a series of organic–inorganic hybrid tungsten‐containing ion clusters [(C8H5Om)(WO3)n(H2O)x]− were generated by the interaction of DHAP and THAP matrices with tungstate anions. Furthermore, the most abundant species (magic number) in each ion series indicated that they might adopt more stable structures than other relevant clusters.

Conclusions

Keggin‐type silicopolyoxometalate anions can produce several series of singly charged molybdenum‐containing/tungsten‐containing ion clusters in negative‐ion generating mode under MALDI conditions. It is proposed that the “Lucky Survivors” hypothesis may be used to illustrate the generation of ion clusters in the gas phase during the early stages of plume expansion. In addition, clear evidence of hydrogen transfer and electron capture to POMs was found in the obtained MALDI mass spectra. These results highlight the utility of the MALDI‐FT method for obtaining novel ion clusters and also show the stability of these clusters.