bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and Application of an Activity‐Based Peptide‐Peptoid Hybrid Probe for the Immunoproteasome
Authors: Zerfas Breanna L. , Trader Darci J.
Published: November 2019

The immunoproteasome (iCP), a specific isoform of the proteasome's catalytic particle, is becoming an important protein complex of interest in various diseases. However, there is still much left to be learned about its activity in cells and how this can be altered by various endogenous conditions or with treatment with small molecules. Current strategies to investigate the iCP lack in their ability to be used in live, intact cells, limiting them to use in endpoint experiments. The iCP‐selective probe presented here has been shown to be compatible with various live‐cell assays, including monitoring iCP activity kinetically in a plate reader–based assay and observing single cells with confocal microscopy. A well‐studied iCP‐selective inhibitor, ONX‐0914, has also been demonstrated to decrease the fluorescence signal of the iCP probe in both of these assays, showing its potential function in investigating small‐molecule modulators of the iCP. © 2019 by John Wiley & Sons, Inc.

Basic Protocol 1: Synthesis of an immunoproteasome‐selective peptide‐peptoid hybrid probe

Basic Protocol 2: Expression of the immunoproteasome in A549 cells

Basic Protocol 3: Using the immunoproteasome probe to monitor activity in live cells with a fluorescence plate reader

Basic Protocol 4: Using the immunoproteasome probe to monitor activity in live cells with confocal microscopy
Protonated Poly(ethylene imine)‐Coated Silica Nanoparticles for Promoting Hydrogen Generation from the Hydrolysis of Sodium Borohydride
Authors: Yang Lijing , Huang Xiaoshan , Zhang Jiapeng , Dong Hua
Published: November 2019

Nonmetal catalysts are attracting a great deal of attention because of their advantages including high activity, low cost, and environmental friendliness. In this work, a nonmetal catalyst for NaBH4 hydrolysis was fabricated through covalent modification of silica nanoparticles with protonated poly(ethylene imine). The successful formation of the catalyst was verified by transmission electron microscopy, thermogravimetric analysis, and Fourier transform infrared spectroscopy. The fabricated catalyst shows excellent activity in catalyzing NaBH4 hydrolysis reactions. The hydrolysis of 15 mg NaBH4 catalyzed by 50 mg catalyst could provide a hydrogen generation rate as high as 117.53 mL min−1 
at 20 °C. Although the catalytic activity decreased after use, it could be restored easily by regenerating in acetic acid solution.
Adherence and barriers in e‐health self‐control training for enhancing childhood multidisciplinary obesity treatment
Authors: Naets Tiffany , Vervoort Leentje , Tanghe Ann , Braet Caroline
Published: November 2019

Training self‐control as the assumed underlying mechanism for weight loss is a promising pathway for improving long‐term outcomes of childhood multidisciplinary obesity treatment (MOT). The present study is the first to analyse adherence to e‐health self‐control training in paediatric obesity. We hypothesized that low adherence would relate to child characteristics and to contextual treatment barriers. Participants were recruited as a part of a larger randomized controlled trial, evaluating an e‐health self‐control training during inpatient MOT (intensive phase) and its outpatient aftercare (booster phase). A number of 68 youngsters with severe obesity between 11 to 19 years old were included in the present study. Excellent adherence was observed in the intensive phase during inpatient MOT, but rates decreased in the booster phase. As predicted, the low adherence group had a significantly higher weight status throughout the entire study period. Differences in contextual treatment barriers did not appear. Further in‐depth analysis showed that the low adherence group frequently experienced practical obstacles. The end of inpatient MOT and high weight status can be considered important risk factors for low adherence in an additional self‐control training aimed at facilitating weight loss.
Are shame and self‐criticism the path to the pervasive effect of social stress reactivity on social functioning in psychosis?
Authors: Martins Maria João , Macedo António , Carvalho Célia Barreto , Pereira Ana Telma , Castilho Paula
Published: November 2019

It is widely known that stress reactivity and social functioning impairment are important difficulties in people with psychosis. However, the specific impact of stress reactivity on social functioning and its underlying mechanisms are still less explored. Social rank variables, such as shame and self‐criticism, have been pointed out as relevant in the development, maintenance of several types of psychosocial suffering and, specifically, in psychotic disorders. This study's aim was to explore the associations between external shame, self‐criticism, social stress reactivity, and social functioning difficulties and understand the mediator role of shame and self‐criticism in the relationship between social stress reactivity and social functioning. Seventy‐seven participants with a psychotic disorder filled in self‐reported measures of stress reactivity, shame, and self‐criticism and were clinically evaluated for social functioning. To study the associations between variables in the study, Spearman correlation coefficients were used. The PROCESS macro was used to test the sequential mediation analyses. All variables under study were associated with each other, and social stress reactivity predicted social functioning difficulties through external shame, whereas self‐criticism was not a significant mediator. The present study highlights the role of external shame in the pathway from stress reactivity to social impairment. These results inform recovery‐oriented interventions and reinforce the relevance of considering social competitive mentality when working with people with psychosis. Further research is needed to clarify the role of self‐to‐self relationship in social impairment and to identify other mechanisms aimed at dealing with shame used by people with psychosis.
Association of Statin and Its Lipophilicity With Cardiovascular Events in Patients Receiving Chronic Dialysis
Authors: Wang Shih‐Wei , Li Lung‐Chih , Su Chien‐Hao , Yang Yao‐Hsu , Hsu Tsuen‐Wei , Hsu Chien‐Ning
Published: November 2019

Lipophilicity of statins has been linked to extrahepatic cell penetration and inhibition of isoprenoid synthesis and coenzyme Q10, which may affect myocardial contraction. Whether statins' lipophilicity affects the risk of cardiovascular disease development in patients under dialysis is unclear. This population‐based study included 114,929 patients undergoing chronic dialysis, retrieved from the Registry for Catastrophic Illness Patients from the National Health Insurance Research Database in Taiwan from 2000 to 2013. Statins were initiated after dialysis and classified into hydrophilic and lipophilic by the duration of use. In total, 17,015 statin users and match controls were identified by using propensity score matching in 1:1 ratio. New statin use was associated with higher cardiovascular disease risk (adjusted hazard ratio (aHR): 1.2, 95% confidence interval (CI), 1.13–1.28) but lower all‐cause mortality (aHR: 0.93, 95% CI, 0.89–0.96). Hydrophilic statins were significantly associated with lower risk of cardiovascular disease compared with lipophilic statins (aHR: 0.91, 95% CI, 0.85–0.97).
Influence of external magnetic field on dust acoustic waves in a capacitive RF discharge
Authors: Choudhary Mangilal , Bergert Roman , Mitic Slobodan , Thoma Markus H.
Published: November 2019

This paper reports experiments on self‐excited dust acoustic waves (DAWs) and its propagation characteristics in a magnetized rf discharge plasma. The DAWs are spontaneously excited in dusty plasma after adding more particles in the confining potential well and found to propagate in the direction of streaming ions. The spontaneous excitation of such low‐frequency modes is possible due to the instabilities associated with streaming ions through the dust grain medium. The background E‐field and neutral pressure determine the stability of excited DAWs. The characteristics of DAWs strongly depend on the strength of external magnetic field. The magnetic field of strength B < 0.05 T only modifies the characteristics of propagating waves in dusty plasma at moderate power and pressure, P = 3.5 W and p = 27 Pa, respectively. It is found that DAWs start to be damped with increasing the magnetic field beyond B > 0.05 T and get completely damped at higher magnetic field B ∼ 0.13 T. After lowering the power and pressure to 3 W and 23 Pa respectively, the excited DAWs in the absence of B are slightly unstable. In this case, the magnetic field only stabilizes and modifies the propagation characteristics of DAWs while the strength of B is increased up to 0.1 T or even higher. The modification of the sheath electric field where particles are confined in the presence of the external magnetic field is the main cause of the modification and damping of the DAWs in a magnetized rf discharge plasma.
An efficient lightweight authentication scheme for human‐centered industrial Internet of Things
Authors: Singh Jaya , Gimekar Ashish , Venkatesan Subramanian
Published: November 2019

Internet of Things (IoT) specifies a transparent and coherent integration of assorted and composite nodes. Unification of these nodes with large resources and servers has brought advancement in technology for industrial and government services. The industrial IoT (IIoT), with smart nodes, enhance the development and manufacturing of industrial process, which is on demand now. However, the security concern is substantial, and it is required to control to perform prosperous assimilation of IIoT. Authentication of these smart nodes and establishing mutual trust among them is essential to keep vulnerabilities and potential risks out. Hence, this paper presents an efficient lightweight secure authentication protocol from the perspective of human‐centered IIoT. This proposed scheme assumes a registration center which simply generates public and secret information for a node when it initially joins the network. Once registration is done, the registration center is not needed anymore, and advanced processes like mutual authentication, secure key exchange, and communications are independently done by nodes involved. Furthermore, we show that this scheme can reduce exponential computations and computational overhead and resolves various possible attacks.
Social interactions do not drive territory aggregation in a grassland songbird
Authors: Winnicki S. K. , Munguía S. M. , Williams E. J. , Boyle W. A.
Published: November 2019

Understanding the drivers of animal distributions is a fundamental goal of ecology and informs habitat management. The costs and benefits of colonial aggregations in animals are well established, but the factors leading to aggregation in territorial animals remain unclear. Territorial animals might aggregate to facilitate social behavior such as (1) group defense from predators and/or parasites, (2) cooperative care of offspring, (3) extra‐pair mating, and/or (4) mitigating costs of extra‐pair mating through kin selection. Using experimental and observational methods, we tested predictions of all four hypotheses in a tallgrass prairie in northeast Kansas, United States. Grasshopper Sparrow (Ammodramus savannarum) males formed clumps of territories in some parts of the site while leaving other apparently suitable areas unoccupied. Despite substantial sampling effort (653 territories and 223 nests), we found no support for any hypothesized social driver of aggregation, nor evidence that aggregation increases nest success. Our results run counter to previous evidence that conspecific interactions shape territory distributions. These results suggest one of the following alternatives: (1) the benefits of aggregation accrue to different life‐history stages, or (2) the benefits of territory aggregation may be too small to detect in short‐term studies and/or the consequences of aggregation are sufficiently temporally and spatially variable that they do not always appear to be locally adaptive, perhaps exacerbated by changing landscape contexts and declining population sizes.
The role of soil redox conditions in microbial phosphorus cycling in humid tropical forests
Authors: Gross Avner , Lin Yang , Weber Peter K. , Pett‐Ridge Jennifer , Silver Whendee L.
Published: November 2019

Humid tropical forests are among the most productive ecosystems globally, yet they often occur on soils with high phosphorus (P) sorption capacity, lowering P availability to biota. Short‐term anoxic events are thought to release sorbed P and enhance its acquisition by soil microbes. However, the actual effects of anoxic conditions on microbial P acquisition in humid tropical forest soils are surprisingly poorly studied. We used laboratory incubations of bulk soils, NanoSIMS analysis of single microbial cells, and landscape‐scale measurements in the Luquillo Experimental Forest (LEF), Puerto Rico to test the hypothesis that anoxic conditions increase microbial P acquisition in humid tropical forests. In laboratory and field experiments, we found that microbial P uptake generally decreased under anoxic conditions, leading to high microbial carbon (C) to P ratios in anoxic soils. The decreased P acquisition under anoxic conditions was correlated with lower microbial C use efficiency (CUE), an index of microbial energy transfer in ecosystems. Phosphorus amendments to anoxic soils led to increased microbial P uptake and higher CUE suggesting that microbes were less able to access and utilize P under natural low redox conditions. Under oxic conditions, microbial C:P ratios and CUE did not respond to changes in substrate stoichiometry. These results challenge the existing paradigm by showing that anoxic conditions can decrease microbial P uptake and ultimately constrain microbial CUE. Our findings indicate that soil redox conditions tightly couple soil P and C cycles and advance our understanding of controls on P cycling in humid tropical forest ecosystems.
Preparation and Characterization of Sulfated Cellulose Nanocrystalline and its Composite Membrane for Removal of Tetracycline Hydrochloride in Water
Authors: Liu Jie , Liu Duo , Liu Shisheng , Li Zhihong , Wei Xiaohui , Lin Song , Guo Minjie
Published: November 2019

The removal of antibiotic pollutants remaining in the environmental media has been a big challenge nowadays. Herein, we report a facile and green approach to fabricate an eco‐friendly composite membrane without addition of any toxic polymers or chemical cross‐linking agents to effectively remove the tetracycline hydrochloride in Water. Firstly, the sulfated cellulose nanocrystalline (CNC) was obtained via hydrolysis of sulfuric acid by using microcrystalline cellulose (MCC) as raw material under ultrasonic condition. The as‐prepared CNC has a nanowhisker dimension with 200.2 ± 110.2 nm in length, 15.7 ± 9.3 nm in width, and 7.2 ± 3.1 nm in height. The obtained CNC is cellulose type I as determined by X‐ray diffraction (XRD), while its crystallinity index (CrI) can reach 82.3%. Then, the composite membrane derived from the obtained CNC and commercial mixed cellulose ester (MCE) membrane was facilely prepared through vacuum dewatering process, which is applied to remove tetracycline hydrochloride (Th) in solution. The results showed that the removal efficiency of Th through the neat MCE was only 28 ± 4%, while it could be improved to 58 ± 5% and 89 ± 1%, respectively, by filtering through composite membranes with different contents of CNC deposition. Such effect is derived from the combine factors based on both steric hindrance (sieving) and electrostatic interaction (Donnan) effect of the composite membranes. The development of related CNC materials and composite fabrication processes is in favor of cost‐effective and “green” polymer composites for the remediation of increasing antibiotic pollution and the purification of contaminated water nowadays.
A pan‐inflammatory microRNA‐cluster is associated with orbital non‐Hodgkin lymphoma and idiopathic orbital inflammation
Authors: Laban Kamil G. , Kalmann Rachel , Bekker Cornelis P. J. , Hiddingh Sanne , van der Veen Rob L. P. , Eenhorst Christine A. E. , Genders Stijn W. , Mourits Maarten P. , Verhagen Fleurieke H. , Leijten Emmerik F. A. , Haitjema Saskia , de Groot Mark C. H. , Radstake Timothy R. D. J. , de Boer Joke H. , Kuiper Jonas J. W.
Published: November 2019

Non‐Hodgkin orbital lymphoma (NHOL) and idiopathic orbital inflammation (IOI) are common orbital conditions with largely unknown pathophysiology that can be difficult to diagnose. In this study we aim to identify serum miRNAs associated with NHOL and IOI. We performed OpenArray® miRNA profiling in 33 patients and controls. Differentially expressed miRNAs were technically validated across technology platforms and replicated in an additional cohort of 32 patients and controls. We identified and independently validated a serum miRNA profile of NHOL that was remarkably similar to IOI and characterized by an increased expression of a cluster of eight miRNAs. Pathway enrichment analysis indicated that the miRNA‐cluster is associated with immune‐mediated pathways, which we supported by demonstrating the elevated expression of this cluster in serum of patients with other inflammatory conditions. The cluster contained miR‐148a, a key driver of B‐cell tolerance, and miR‐365 that correlated with serum IgG and IgM concentrations. In addition, miR‐29a and miR‐223 were associated with blood lymphocyte and neutrophil populations, respectively. NHOL and IOI are characterized by an abnormal serum miRNA‐cluster associated with immune pathway activation and linked to B cell and neutrophil dysfunction.
[2+2] Photochemical Cycloaddition in Organic Synthesis
Authors: Sarkar Debayan , Bera Nabakumar , Ghosh Subrata
Published: November 2019

The century old [2+2] photocycloaddition reaction appeared as the most synthetically useful reaction amongst all photochemical reactions. It provides not only cyclobutane ring systems, but at the same time it provides access to medium rings through facile ring expansion/fragmentation of the strained cyclobutane ring. The high regio‐and stereoselectivity observed during cycloaddition has made it an attractive tool for synthesis of multicyclic structurally complex natural products. The vast majority of [2+2] photocycloaddition reactions involves enone–alkene cycloaddition which is conveniently achieved through direct excitation or sensitization by UV irradiation. Substantial progress has also been made in [2+2] cycloaddition between two unactivated alkenes using transition metal salts especially copper(I) salts. Sometimes Cu(I)‐catalyzed cycloaddition is advantageous over enone–alkene photocycloaddition. Search for an alternative source to environmentally harmful high energy UV light has led to the discovery of transition metal salts which can be used to excite alkenes by visible light. This causes alkenes to undergo [2+2] cycloaddition and has been used for synthesis of cyclobutane derivatives. This review aims to give an overview about different aspects of [2+2] photocycloaddition reaction with an emphasis in the stereoselective synthesis of selected complex natural products and related molecules where cycloaddition has been used as the key step.
Altered circulating endocannabinoids in anorexia nervosa during acute and weight‐restored phases: A pilot study
Authors: Piccolo Mayron , Claussen Malte Cristian , Bluemel Sena , Schumacher Sonja , Cronin Annette , Fried Michael , Goetze Oliver , Martin‐Soelch Chantal , Milos Gabriella
Published: November 2019

Anorexia nervosa (AN) is an eating disorder characterized by a low food intake and often exceeding exercise, leading to a particularly low body × weight proportion. Patients with AN usually report less hunger than healthy controls. Endogenous endocannabinoids (eCBs), specifically the anandamide, have been associated to hunger, as a meal initiator, but research regarding AN and eCB and inconclusive. In this pilot study, we investigated plasma levels of eCB in inpatients with AN during fasting and after eating, both during the acute AN phase and after weight recovery. After an 8‐hr fasting period, blood sample was collected from all participants. After that, participants were given a muffin test meal. Blood samples for the investigation of endogenous eCBs anandamide (N‐arachidonoylethanolamide [AEA]) and 2‐arachidonoylglycerol (2‐AG) were then collected after 120 and 240 min. Participants were only allowed to eat and drink what was offered them during the research. AN reported less hunger than controls during fasting and at the end of the experiment. Also, plasma levels of AEA were significantly smaller in AN in comparison with controls in all time points. No significant difference was found for 2‐AG plasma levels. After recovery, no significant difference was found for eCB levels. These findings could be interpreted as an AEA deregulation in AN before and after food intake, which persists after weight recovery. These findings may have implications to the pharmacological treatment of AN and to relapse occurring in the disorder.
Cooperative load‐bearing characteristics of a pillar group and a gob pile in partially caved areas at shallow depth
Authors: Zhu Defu , Song Xuanmin , Li Haocheng , Liu Zhenghe , Wang Chen , Huo Yuming
Published: November 2019

Stress concentration in partially caved goaf is the main cause of dynamic pressure accident in the lower seam mining. Aimed at the characteristics of caving in shallow partially caved goaf (PCG) and the specificity of interior load‐bearing structures, a classification criterion of goaf caving was proposed. The characteristics of cooperative load‐bearing in pillar group and gob pile were revealed by numerical calculation, physical simulation, and theoretical analysis. Taking intermittent mining as an example, combined with the deformation behaviors of the main roof and the loading characteristics of waster rock mass, the characteristics of the load‐bearing of gob piles were described in the form of a piecewise function. A FLAC3D model of intermittent mining is modeled to evaluate the stability of pillars, the long‐term stability and distribution laws of overlying loads were revealed through a refined model. The results show that the width of the caved zone bearing the load in the intermittent goaf is about 20 m, and the maximum load‐bearing capacity is 1.055 MPa. The maximum depth of the plastic region in one side of the pillar is 1.48 m, and the load on elastic zone is about 11.33 MPa. This study provides a method for the study of the caving characteristics and load uncertainty in PCG, and the results provide important theoretical values for the safe mining of lower coal seams.
A distance‐sensitive distributed repulsive sleeping approach for dependable coverage in heterogeneous cellular networks
Authors: Tang Liangrui , He Yanhua , Zhou Zhenyu , Ren Yun , Mumtaz Shahid , Rodriguez Jonathan
Published: November 2019

Base station (BS) sleeping technology has become one of the significant technologies in fifth‐generation green communications. However, enormous communication overhead and coverage holes produced by existing sleeping strategies will decline the robustness of the network. To tackle this problem, this paper proposes a distance‐sensitive distributed repulsive sleeping strategy (DSDRSS), based on hard‐core point process (HCPP). First, through information exchanges, presleeping BSs in the same region form a sleeping cluster (SC) whose size is limited by sleeping distance. Second, BSs in the SC perform BS sleeping with a mark method where BSs will be randomly assigned a mark, and BSs with the lowest mark will remain on to ensure the coverage. Third, to characterize the performance of DSDRSS, the analytical expressions of sleeping probability, coverage probability, and average achievable rate for user equipment (UE) under DSDRSS are derived. Finally, the coverage characteristics of UE under DSDRSS are analyzed and compared with those under different sleeping operations. DSDRSS realizes sleeping operations through the cooperation between BSs in an SC, not relying on the feedback links between a small BS and the control center. As a result, DSDRSS can not only enable flexible perception of traffic changes in sleeping area but also complete sleeping with less overhead. The simulation results show that DSDRSS supports more dependable coverage compared with random sleeping strategy and general repulsive sleeping strategy.
Energy loss prediction in nonoriented materials using machine learning techniques: A novel approach
Authors: Khan Mahmood , Afaq Muhammad , Islam Ihtesham Ul , Iqbal Javed , Shoaib Muhammad
Published: November 2019

Traditional extrapolation performed by machine designers for energy loss estimation results in the decrease of the overall efficiency of electrical machines. Therefore, state‐of‐the‐art techniques need to be developed in order to accurately predict the energy loss in electrical machines for their improved performance. To this end, machine learning techniques have been employed to predict accurate energy loss at different frequencies and induction levels under rotational conditions. Such types of flux exist near the teeth of the stator in synchronous machines. In transformers, rotational flux arises at the bends and corners of the stators. It was observed that the random forest machine learning algorithm has the least mean square error and as such is the most suited algorithm, which can be used for the accurate prediction of energy loss in nonoriented materials.
Development and application of a simulation approach for fire and structure interaction of concrete members subject to spalling
Authors: Janssens Marc , Dasgupta Biswajit
Published: November 2019

This paper describes the development and illustrates the use of an approach to model the mechanical performance of a concrete bridge and its structural components exposed to fire and subject to spalling. The work is motivated by some recent fire incidents that involved concrete bridges, the poor state of an increasing number of bridges throughout the United States (which makes them more vulnerable to fire damage), and the lack of design codes and standards that adequately protect bridges against fire. An important objective of the work is to develop a method to predict spalling that captures the principal physical and chemical phenomena but is simple enough so that it can be implemented in a 3‐D structural simulation. The first step in the approach involves using a hydrothermal model to determine if and at what temperature spalling occurs for a specified concrete mix (defined by its composition, type of aggregate, water‐cement ratio, porosity, permeability, etc), free moisture content, and heating rate. The second step uses the resulting “critical spalling temperature” in a coupled thermal and mechanical analysis to determine how spalling affects the performance of the concrete member. The approach is illustrated for two standard fire resistance tests conducted on posttensioned concrete slab systems reported in the literature. The paper concludes with a list of recommendations for additional work to improve the predictive capability of the heat and mass transfer and structural models and to address several challenges with the implementation of the spalling criteria in the structural model.
Solving the incompressible fluid flows by a high‐order mesh‐free approach
Authors: Rammane Mohammed , Mesmoudi Said , Tri Abdeljalil , Braikat Bouazza , Damil Noureddine
Published: November 2019

In this paper, we propose for the first time to extend the application field of the high‐order mesh‐free approach to the stationary incompressible Navier‐Stokes equations. This approach is based on a high‐order algorithm, which combines a Taylor series expansion, a continuation technique, and a moving least squares (MLS) method. The Taylor series expansion permits to transform the nonlinear problem into a succession of continuous linear ones with the same tangent operator. The MLS method is used to transform the succession of continuous linear problems into discrete ones. The continuation technique allows to compute step‐by‐step the whole solution of the discrete problems. This mesh‐free approach is tested on three examples: a flow around a cylindrical obstacle, a flow in a sudden expansion, and the standard benchmark lid‐driven cavity flow. A comparison of the obtained results with those computed by the Newton‐Raphson method with MLS, the high‐order continuation with finite element method, and those of literature is presented.
Effects of encapsulated rosemary extract on oxidative and microbiological stability of beef meat during refrigerated storage
Authors: Rashidaie Abandansarie Seyede Salimeh , Ariaii Peiman , Charmchian Langerodi Mehdi
Published: November 2019

In this study, the effect of rosemary extract in two free and encapsulated forms to increase the shelf life of beef meat during a 28‐day refrigerated storage period was investigated. For this purpose, rosemary was extracted using different extraction methods including ultrasound, solvent, and supercritical fluid extraction. The amount of phenolic compounds, antioxidant properties (free radical scavenging capacity of DPPH radical, ferric reducing antioxidant power), and antimicrobial activity of rosemary extract against pathogenic bacteria were evaluated. According to the results, the highest amount of phenolic compounds, antioxidant, and antimicrobial activity was observed in rosemary extracted by ultrasound method that used for next study (p < .05). In order to encapsulation of the rosemary extract, basil seed gum and soybean protein isolate separately and in combination form (1:1 w:w ratio) were used as carriers. Based on the particle size, zeta potential, and encapsulation efficiency tests, the best carriers were soybean protein isolate that used as a carrier for encapsulation. Then, to investigate the effect of rosemary extract to increase the shelf life of beef meat, 5 treatments including control, rosemary extract with concentrations of 800 ppm and 1,600 ppm, and nano‐capsulation form of it with 800 ppm and 1,600 ppm concentrations were selected and they were periodically evaluated for chemical and microbial analysis (peroxide value, Thiobarbituric acid, color index, pH, and total viable count). The results showed that rosemary extract has an antimicrobial and antioxidant properties which could increasingly delay microbial spoilage and lipid oxidation of beef meat fillets, nano‐capsulation form of rosemary could increase these qualities. The best results were observed in nano‐capsulation of rosemary extract with 1,600 ppm (p < .05) as well as increased the shelf life of fillets till 21st day. Therefore, it seems that encapsulated rosemary extract could be used as a natural preservative in beef meat and meat products.
Pharmacokinetics and metabolism of icaritin in rats by UPLC‐MS/MS
Authors: Huang Zhen‐Wu , Yang Yue‐Xin , Huang Ling‐He , Zhang Shuang‐Qing
Published: November 2019

Icaritin (ICT) has distinct bioactivities, especially known for its beneficial effects on bone‐related degenerative disorders; however, its pharmacokinetic properties remain unknown. A novel developed UPLC‐MS/MS method for the determination of ICT and its main metabolite glucuronidated icaritin (GICT) was firstly applied to pharmacokinetic and metabolism studies of ICT in female rats, which were intraperitoneally given 40 mg/kg ICT. Following the protein precipitation of plasma samples with acetonitrile, ICT and GICT were separated on a C18 column using gradient elution mode and quantified in the multiple reaction monitoring mode. The linearities were acceptable for ICT (r = 0.9960) and GICT (r = 0.9968), and the lower limit of quantification values was 0.5 and 5 ng/ml, respectively. The accuracy fell in the range of 92.0%–103.1% and precisions were within 9.5%. Good linearity, accuracy, precision, and recovery were achieved for the UPLC‐MS/MS method. ICT was predominantly and rapidly biotransformed to GICT which was slowly eliminated in vivo with a terminal half‐life value of 4.51 hr. Pharmacokinetics of pure ICT eliminated biotransformation interference of Epimedium extract and disclosed genuine pharmacokinetic manner of ICT, as well as firstly elucidated low concentration and bioavailability of ICT in rat plasma.
A flexible and nearly optimal sequential testing approach to randomized testing: QUICK‐STOP
Authors: Hecker Julian , Ruczinski Ingo , Cho Michael H. , Silverman Edwin K. , Coull Brent , Lange Christoph
Published: November 2019

In the analysis of current life science datasets, we often encounter scenarios in which the application of asymptotic theory to hypothesis testing can be problematic. Besides improved asymptotic results, permutation/simulation‐based tests are a general approach to address this issue. However, these randomized tests can impose a massive computational burden, for example, in scenarios in which large numbers of statistical tests are computed, and the specified significance level is very small. Stopping rules aim to assess significance with the smallest possible number of draws while controlling the probabilities of errors due to statistical uncertainty. In this communication, we derive a general stopping rule, QUICK‐STOP, based on the sequential testing theory that is easy to implement, controls the error probabilities rigorously, and is nearly optimal in terms of expected draws. In a simulation study, we show that our approach outperforms current stopping approaches for general randomized tests by factor 10 and does not impose an additional computational burden. We illustrate our approach by applying our stopping rule to a single‐variant analysis of a whole‐genome sequencing study for lung function.
Impact of coal composition and pore structure on gas adsorption: a study based on a synchrotron radiation facility
Authors: Sun Yingfeng , Zhao Yixin , Yuan Liang
Published: November 2019

A better knowledge about the impact of coal composition and pore structure on gas adsorption is of great significance for coalbed methane exploration and uneconomic coalbed CO2 storage. Coal is a porous medium with complex organic components, and most pores in coal are nanopores that have a complex geometrical morphology. As a result, it is significantly necessary to investigate the impact of coal composition and pore structure on gas adsorption based on coal 3D nanopore structure. Synchrotron radiation nano‐computed tomography (CT) was applied to acquire 3D coal nanopore structure and synchrotron radiation small‐angle X‐ray scattering (SAXS) was used to obtain the pore surface fractal dimension. The coal with higher pore surface fractal dimension presents higher Langmuir volume. Based on the 3D nanopore structure acquired by synchrotron radiation nano‐CT, gas adsorption capacity was characterized by the adsorbed gas amount on unit pore surface area. It was found that gas adsorption capacity depends on the coal composition. There is a negative correlation between gas adsorption capacity and ash content and oxygen‐containing groups, and a positive correlation between gas adsorption capacity and vitrinite contents. Hysteresis between desorption and adsorption isotherms is dependent upon the ratio of throat number to pore number, and the hysteresis becomes more significant when the ratio is larger. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
Evaluating soil moisture estimation from ground‐penetrating radar hyperbola fitting with respect to a systematic time‐domain reflectometry data collection in a boreal podzolic agricultural field
Authors: Illawathure Chameera , Parkin Gary , Lambot Sébastien , Galagedara Lakshman
Published: November 2019

The upper 30 cm of the soil profile, which hosts the majority of the root biomass, can be considered as the shallow agricultural root zone of most temperate crops. The electromagnetic wave velocity in the soil obtained from reflection hyperbolas in ground‐penetrating radar (GPR) data can be used to estimate soil moisture (SM). Finding shallow hyperbolas in a radargram and minimizing the subjective error associated with the hyperbola fitting are the main challenges in this approach. Nevertheless, we were motivated by the recent improvements of hyperbola fitting algorithms, which can reduce the subjective error and processing time. To overcome the difficulty of finding very shallow hyperbolas, we applied the hyperbola fitting method to reflections ranging from 27‐ to 50‐cm depth using a 500‐MHz centre‐frequency GPR and compared the estimated moisture with vertically installed, 30‐cm‐long time‐domain reflectometry (TDR) sensors. We also compared TDR and GPR sample areas in a 2‐D plane using different GPR survey types and different hyperbola depths. SM measured with TDR and GPR were not significantly different according to Mann–Whitney's test. Our analyses showed that a root mean square error of 0.03 m3m−3was found between the two methods. In conclusion, the proposed method might be suitable to estimate SM with an acceptable accuracy within the root zone if the soil profile is fairly uniform within the application depth range.
What drives the adoption of mobile payment? A Malaysian perspective
Authors: Moorthy Krishna , Chun T'ing Loh , Chea Yee Kwong , Wen Huey Ang , Joe In Lee , Chyi Feng Poon , Jia Yi Tan
Published: November 2019

The purpose of this study is to examine the antecedents of behavioural intention to adopt mobile payment among working adults in Malaysia. The variables of the unified theory of acceptance and use of technology 2 (UTAUT2) with perceived security were adopted as a theoretical base. The gathered data through a questionnaire were examined by using multiple linear regression (MLR) analysis. The study revealed that performance expectancy, facilitating conditions, hedonic motivation, and perceived security are significant in mobile payment adoption. However, effort expectancy and social influence are not significant. The findings of this study contributed to a simple UTAUT2 model with perceived security as an additional construct in explaining the adoption intention of mobile payment. The findings of this study are applicable to the mobile payment service providers in Malaysia to improve their mobile payment quality by improving the facilitating conditions.
Bisphenol A triggers the malignancy of acute myeloid leukemia cells via regulation of IL‐4 and IL‐6
Authors: Zhang Suwei , Li Jiazhen , Fan Jingru , Wu Xianheng
Published: November 2019

Acute myeloid leukemia (AML) is a cancer of hematopoietic stem cells with a rapid progression. The progression of AML can be regulated by estrogenic signals. Our present data showed that an industrial endocrine‐disrupting chemical, bisphenol A (BPA), can promote the proliferation of AML cells and decrease their sensitivity to daunorubicin and cytarabine treatment. Among the tested cytokines, BPA treatment can decrease the expression of interleukin‐4 (IL‐4) while increasing the expression of IL‐6. Overexpression of IL‐4 or neutralization antibody of IL‐6 (anti‐IL‐6) can attenuate BPA‐induced proliferation of AML cells and reverse BPA‐suppressed chemosensitivity. Furthermore, activation of nuclear factor kappa B is essential for BPA‐induced upregulation of IL‐6 in AML cells. As to IL‐4, BPA can increase the expression of NFAT1 to inhibit its transcription. Collectively, our data showed that BPA can trigger the malignancy of AML cells via regulation of IL‐4 and IL‐6.
The modulatory effect of triclosan on the reversion of the activated phenotype of LX‐2 hepatic stellate cells
Authors: Miranda Juliana F. , Scarinci Letícia D. , Ramos Letícia F. , Silva Caio M. , Gonçalves Letícia R. , de Morais Priscila F. , Malaspina Osmar , Moraes Karen C. M.
Published: November 2019

Hepatic diseases leading to fibrosis affect millions of individuals worldwide and are a major public health challenge. Although, there have been many advances in understanding hepatic fibrogenesis, an effective therapy remains elusive. Studies focus primarily on activation of the hepatic stellate cells (HSCs), the principal fibrogenic cells in the liver; however, fewer numbers of studies have examined molecular mechanisms that deactivate HSC, controlling the profibrogenic phenotype. In the present study, we evaluated cellular and molecular actions of the chemical triclosan (TCS) in reverting activated HSCs to a quiesced phenotype. We demonstrated that the inhibition of the enzyme fatty acid synthase by TCS in activated HSCs promotes survival of the cells and triggers cellular and molecular changes that promote cellular phenotypic reversion, offering potentially new therapeutic directions.
Neuroprotective effects of mitochondria‐targeted curcumin against rotenone‐induced oxidative damage in cerebellum of mice
Authors: Hasan Whidul , Kori Rajesh Kumar , Jain Juli , Yadav Rajesh Singh , Jat Deepali
Published: November 2019

The present study investigated the protective effect of curcumin and mitochondrial‐targeted curcumin (MTC) in rotenone‐induced cerebellar toxicity in mice. Treatment of rotenone in mice significantly shortened the stride length for both forelimb and hind‐limb and increased fore‐paws and hind‐limb base width. Co‐treatment of curcumin and MTC with rotenone improved the walking pattern. A significant increase in lipid peroxidation, nitric oxide and decreased activity of AChE, reduced glutathione, superoxide dismutase and catalase were observed in rotenone‐treated mice while co‐treatment of curcumin and MTC with rotenone significantly increased AChE activity and protected against rotenone‐induced oxidative damage. Rotenone exposed mice showed irregular, damaged Purkinje cells and perineuronal vacuolation while co‐treatment of curcumin and MTC with rotenone protected against rotenone‐induced cellular damage in these cells. The result exhibits that both curcumin and MTC showed protective effects against rotenone‐induced cerebellar toxicity in mice and MTC is more effective than curcumin.
Mitochondriotropic action and DNA protection: Interactions between phenolic acids and enzymes
Authors: de Abreu Tatiane Silva , Braga Mariana Aparecida , Simão Anderson Assaid , Trento Marcus Vinicius Cardoso , Eleutério Mateus Willian de Faria , Silva Pereira Luciana Lopes , da Cunha Elaine Fontes Ferreira , Marcussi Silvana
Published: November 2019

The protective action of caffeic (CA) and syringic (SA) acids on the genotoxicity exercised by snake venoms was investigated in this study. Molecular interactions between phenolic acids and the enzyme succinate dehydrogenase were also explored. In the electrophoresis assay, SA did not inhibit the genotoxicity induced by the venom. However, CA partially inhibited DNA degradation. In the comet assay, SA and CA exerted an inhibitory effect on the venom‐induced fragmentation. Succinate dehydrogenase presented, in computational analyzes, favorable energies to the molecular bond to both the malonic acid and the phenolic compounds evaluated. In the enzymatic activity assays, SA inhibited succinate dehydrogenase and interfered in the interaction of malonic acid. Meanwhile, CA potentiated the inhibition exerted by the malonic acid. The results suggest transient interactions between toxins present in venoms and phenolic acids, mainly by hydrogen interactions, which corroborate with the data from previous works.
Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties
Authors: Stahl Berenike , Bredow Thomas
Published: November 2019

In a previous study (Stahl and Bredow, Chem. Phys. Lett. 2018, 695, 28–33), we have studied structural, energetic, and electronic properties of two vanadium dioxide VO2 polymorphs with modified global and range‐separated hybrid functionals. Since hybrid methods are computationally demanding, we evaluate the computationally more efficient DFT + U method in the present study. We assessed the widely used Dudarev PBE + U approach with a literature value of the effective Hubbard parameter Ueff = 3.4 eV. We compared the PBE + U results for the two VO2 polymorphs with our previous results, a self‐consistent hybrid functional sc‐PBE0, and the meta‐GGA functional SCAN. It was found that the PBE + U method yields a strongly distorted monoclinic phase and does not reproduce the metal‐to‐insulator transition of VO2 correctly, even with modified values of Ueff. On the other hand, sc‐PBE0 and SCAN describe the relative stability and the electronic structure of both polymorphs correctly and also provide reasonable lattice parameters. The functional SCAN yields the optimal balance between computational efficiency and accuracy. © 2019 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.
Mechanistic Study of Unprecedented Highly Regioselective Hydrocyanation of Terminal Alkynes: Insight into the Origins of the Regioselectivity and Ligand Effects
Authors: Jiang Dandan , Fu Mingxing , Zhang Yajun , Li Qianqian , Guo Kai , Yang Yanhui , Zhao Lili
Published: November 2019

Density functional theory (DFT) calculations were performed to gain insight into the mechanism of the nickel‐catalyzed hydrocyanation of terminal alkynes with Zn(CN)2 and water to exclusively generate the branched nitrile with excellent Markovnikov selectivity. After precatalyst activation to give the LNi(0) active species, the transformation proceeds via the following steps: (1) oxidative addition of H2O to the LNi(0) provides the intermediate LNi(II)H(OH); (2) ligand exchange of LNi(II)H(OH) with Zn(CN)2 gives the intermediate LNi(II)H(CN); (3) alkyne insertion to the LNi(II)H(CN) forms the alkenyl nickel complex, followed by the reductive elimination step reaching the final product. This mechanism is kinetically and thermodynamically more favorable than that of the experimental proposed ones. On the basis of the experimental observations, more water molecules cannot further improve the reaction as it has also been rationalized. Furthermore, the origin of the high regioselectivity of the product, the variable effectiveness of the metal mediator as function of ligands, as well as the high yield of the alkyl‐substituted alkynes substrates, is analyzed in detail. © 2019 Wiley Periodicals, Inc.
Performance of Range Separated Density Functional in Solvent Continuum: Tuning Long‐range Hartree–Fock Exchange for Improved Orbital Energies
Authors: Boruah Abhijit , Borpuzari Manash Protim , Kar Rahul
Published: November 2019

Performance of the density functionals mainly depends on the proper approximation of exchange‐correlation functionals. Modification of various parameters of such functionals, according to the demand of the system, has brought their accuracy level to a new height. Recent reports highlight that Long‐range Corrected (LC) functionals are not encouraging in reproducing orbital energies in solvent. Therefore, in this article, we have proposed a tuning scheme for the LC functional for improved orbital energies. In this scheme, the optimized long‐range HF exchange and the dielectric constant of the medium are included to modify the form of functionals. The proposed tuning is tested over a set of 103 molecules from IP131 database and fifteen solvent dielectrics. The tuned range separated functionals reproduce orbital eigenvalues in solvent continuum with good accuracy. More importantly, there is a consistency in the error for the tuned functional across the solvent media. © 2019 Wiley Periodicals, Inc.