bluuebunny/crossref_metadata_2025_split huggingface dataset:
Using collections of structural models to predict changes of binding affinity caused by mutations in protein–protein interactions
Authors: Meseguer Alberto , Dominguez Lluis , Bota Patricia M. , Aguirre‐Plans Joaquim , Bonet Jaume , Fernandez‐Fuentes Narcis , Oliva Baldo 
Published: August 2020

AbstractProtein–protein interactions (PPIs) in all the molecular aspects that take place both inside and outside cells. However, determining experimentally the structure and affinity of PPIs is expensive and time consuming. Therefore, the development of computational tools, as a complement to experimental methods, is fundamental. Here, we present a computational suite: MODPIN, to model and predict the changes of binding affinity of PPIs. In this approach we use homology modeling to derive the structures of PPIs and score them using state‐of‐the‐art scoring functions. We explore the conformational space of PPIs by generating not a single structural model but a collection of structural models with different conformations based on several templates. We apply the approach to predict the changes in free energy upon mutations and splicing variants of large datasets of PPIs to statistically quantify the quality and accuracy of the predictions. As an example, we use MODPIN to study the effect of mutations in the interaction between colicin endonuclease 9 and colicin endonuclease 2 immune protein from Escherichia coli. Finally, we have compared our results with other state‐of‐art methods.
Leveraging facility siting to optimize mitigation decisions
Authors: Ashiofu Annette , Bruce‐Black Joshua , Dyer John 
Published: August 2020

AbstractFacility siting mitigation decisions should be made in a logical and defensible manner. This article provides a framework for making and justifying facility siting mitigation decisions beginning with presenting risk results in a clear manner prior to identifying practical risk mitigation strategies, highlighting potential source and location risk mitigation strategies, demonstrating how these strategies can be evaluated with examples, and ultimately to quantifying and optimizing the safety‐benefit of each mitigation strategy/combination of strategies. The outcome of this process provides a defensible basis for prioritization and practicality of risk mitigation strategies, or a combination of strategies that reduce facility risk to broadly acceptable levels or as low as reasonably practicable while minimizing expense.
Cover Image, Volume 76, Issue 9
Authors: Kong Wei‐Na , Wang Yi , Guo Yong‐Fu , Chai Xiao‐Han , Li Jie , Ma Rui‐Yan 
Published: August 2020

The cover image is based on the Research Article Behavioral effects of different attractants on adult male and female oriental fruit moths, Grapholita molesta by Wei‐Na Kong et al., https://doi.org/10.1002/ps.5878.
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The effect of saffron supplementation on some inflammatory and oxidative markers, leptin, adiponectin, and body composition in patients with nonalcoholic fatty liver disease: A double‐blind randomized clinical trial
Authors: Kavianipour Farnaz , Aryaeian Naheed , Mokhtare Marjan , Mirnasrollahiparsa Reyhanesadat , Jannani Leila , Agah Shahram , Fallah Sodabeh , Moradi Nariman 
Published: August 2020

BackgroundNonalcoholic fatty liver disease (NAFLD) is characterized by oxidative stress and inflammation in the hepatocytes. Saffron and its constituents are reported to have several properties such as anti‐inflammatory and anti‐diabetic effects.Materials and methodsIn a randomized double‐blind placebo‐controlled trial with two parallel groups including 76 eligible men and female patients with NAFLD aged 18–65, recruited from Hazrat Rasul Akram Hospital in Tehran, Iran. NAFLD was defined by a Gastroenterologist based on the American Gastrointestinal and Liver Association standards. Participants were randomly assigned to two groups receiving daily supplementation of either one tablet of 100 mg saffron (n = 38) or one placebo (n = 38) for 12 weeks. The primary outcome was high sensitive C‐reactive protein (hs‐CRP) and secondary outcomes were alanine aminotransferase (ALT), aspartate aminotransferase (AST), tumor necrosis factor alpha (TNF‐α), malondialdehyde (MDA), total anti‐oxidant capacity (TAC), leptin, adiponectin, anthropometric, and body composition Both groups were assigned similar diet and physical activity.ResultsIn the treatment group, significant decreases in hs‐CRP (−1.80 ng/ml, 95% CI = −2.97, −0.63, p = .032), leptin (−0.27 ng/ml, 95% CI = −0.65, −0.10, p = .040), MDA (−1.01 ng/ml, 95% CI = −1.89, −0.14, p = .023) and significant increase in TAC (0.34 μmol/L, 95% CI = 0.08, 0.61, p = .011) were observed compared to the placebo group. However, there were no significant changes in serum alanine aminotransferase, AST, TNF‐α, body composition, and anthropometric indexes (p > .05).ConclusionIn the present study, 12 weeks of 100 mg of saffron supplementation indicated beneficial effects on serum levels of some inflammatory, oxidative stress, and adipokines biomarkers but it had no significant effect on serum concentrations of liver enzymes, anthropometric, and body composition measurements.
Effect on the aromaticity of heterocyclic ligands by coordination with ruthenium electron‐withdrawing metal centers
Authors: Sanhueza Luis , Cortés‐Arriagada Diego , Díaz Ramiro , Dreyse Paulina , García Camilo , Gonzalez Iván A. , Loeb Bárbara 
Published: August 2020

AbstractDensity functional theory calculations of polypyridyl ruthenium complexes with polyaromatic ligands have been performed to understand the metal fragment effect on the modulation of their electronic properties and the influence on the aromatic character. The change of positions of the nitrogen atoms in the ligand structure, as well as the metal moiety, seems to influence the electronic behavior of the π‐extended structure and the aromatic character of the complexes at both the ground and excited states. In this framework, structural, electronic, and magnetic‐based aromaticity indices were used to understand the aromaticity of the free and coordinated ligands. The aromaticity character of the ligands is highly influenced by the metal fragment, and the aromaticity/antiaromaticity is achieved according to both the electron‐withdrawing capability of the ligand and the metal fragment. The electronic distribution observed on the aromatic ligand determines their π‐stacking ability; thus, it is proposed that the control of the π‐stacking ability is modulated according to the electronic nature of the ruthenium moiety.
Command filter‐based event‐triggered adaptive neural network control for uncertain nonlinear time‐delay systems
Authors: Li Baomin , Xia Jianwei , Sun Wei , Park Ju H. , Sun Zong‐Yao 
Published: August 2020

SummaryIn this article, the problem of command filter‐based adaptive event‐triggered neural network control is considered for a class of uncertain nonlinear systems with time delay. Lyapunov‐Krasovskii functionals and command filtered technology are utilized to address the problem of unknown time‐varying delays and explosion of complexity, respectively. Furthermore, by fusing the event‐triggered mechanism, an adaptive tracking controller is designed. The proposed controller not only ensures that the system output eventually follows the desired reference signal in the sufficiently small neighborhood of zero but also reduces the communication resources from the controller to the actuator. Finally, the effectiveness of the proposed control method is verified by a simulation example.
State and parameter joint estimation of linear stochastic systems in presence of faults and non‐Gaussian noises
Authors: Stojanovic Vladimir , He Shuping , Zhang Baoyong 
Published: August 2020

SummaryJoint estimation of states and time‐varying parameters of linear stochastic systems is of practical importance for fault diagnosis and fault tolerant control. The known fact is that measurements have outliers. They can significantly degrade the properties of linearly recursive algorithms, which are designed to work in presence of Gaussian noises. This article proposes two kinds of strategies for joint parameter‐state robust estimation of linear stochastic models in presence of all possible faults and non‐Gaussian noises. In the form of Theorem, joint robust algorithm for systems with sensor and component faults, as well as the algorithm for systems with parameter faults are proposed. Because of their good features in robust filtering, Masreliez‐Martin filter represents a cornerstone for realization of the proposed robust algorithms for joint state‐parameter estimation. The good features of proposed robust estimation algorithms, in relation to algorithms based on other widely‐used filters, are illustrated by simulation results. On the other side, intensive research in the field of mathematical modeling of pneumatic servo drives has shown that their mathematical models are nonlinear in which a lot of important details cannot be included in the model. Also, it has been well known that the nonlinear model can be approximated by a linear model with time‐varying parameters. Due to the abovementioned reasons, it can be assumed that the pneumatic cylinder model is a linear stochastic model with variable parameters. The good practical values of the proposed robust joint algorithm to identification of the pneumatic cylinder are illustrated by experimental results.
Illuminating den‐tree selection by an arboreal mammal using terrestrial laser scanning in northern Australia
Authors: Stobo‐Wilson Alyson M. , Murphy Brett P. , Cremona Teigan , Carthew Susan M. , Levick Shaun R. 
Published: August 2020

AbstractThere has been a significant decline in arboreal mammals in northern Australia, especially in the lower rainfall region of the tropical savannas. Currently, we lack a fundamental understanding of the habitat requirements of these species to prevent further declines. We investigated how variation in habitat structure influences den‐tree selection by an arboreal, hollow‐dwelling marsupial, the savanna glider (Petaurus ariel; Gould, 1842), in northern Australia from two populations at the climatic extremes of the species’ geographic range. We used traditional habitat surveys complemented by advanced terrestrial Light Detection And Ranging (LiDAR) technology to compare site habitat structure and subsequent den‐tree selection by P. ariel. Canopy height, total canopy cover and tree size were positively correlated with rainfall. At the higher rainfall site, P. ariel selected larger trees for denning than neighbouring trees; mean trunk diameter at breast height was 53.4 cm (95% CI: 49.6–56.8) and 33.8 cm (95% CI: 30.0–37.6), for den and neighbouring trees respectively. At the lower rainfall site, P. ariel den trees were no larger than neighbouring trees but were more likely to be Eucalyptus tectifica than any other available tree species. At both sites, P. ariel selected den trees that were more likely to be hollow bearing (through larger tree size or specific tree species). We found terrestrial LiDAR to be a useful tool for mapping fine‐scale variation in habitat structure which enabled us to account for variation in den‐tree selection between sites. However, we remained dependent on traditional habitat surveys to count hollows and identify tree species. With a better understanding of the relationship between tree size and den‐tree selection, future studies could use terrestrial LiDAR to map the probability of den‐tree availability for hollow‐dwelling species at a landscape scale. We emphasize the importance of protecting hollow‐bearing eucalypt trees for the conservation of arboreal mammals in northern Australia.
The creative economy and sustainable development: The Baltic States
Authors: Štreimikienė Dalia , Kačerauskas Tomas 
Published: August 2020

AbstractThe creative economy is one of the fastest developing sectors in the global economy, providing income growth, new jobs and export earnings. In addition to economic benefits that flow from cultural and creative industries, the aforementioned contribute to resolving issues of sustainable urban development, as well as contributing to the 2030 Agenda, which is the main initiative of the United Nations. Although it is acknowledged by scholars that creativity promotes inclusive social progress and empowers people to take responsibility for their own economic, social and personal development and encourages innovation, which contributes significantly to sustainable growth, there is lack of empirically tested results. The article aims to analyse the linkages between the implementation of sustainable development goals achieved by countries, and the development of the creative economy in such countries. The empirical data were collected for comparison of creativity and sustainability indexes by reference to the case study of the Baltic States. Policy implications were provided based on the research conducted. The study found that Estonia is the best performing country in terms of measures of creativity and assessments of that country's creative economy. Furthermore, Estonia is the most sustainable country, and has achieved the greatest progress in implementing sustainable development goals of any of the Baltic States. All of the environmental indicators for Latvia, and taking into account Lithuania's economic indicators place these two countries at the same level in terms of sustainability.Highlights
The linkages between sustainable development and creative economy analysed;
Creativity and sustainability indexes are critically discussed;
The creativity and sustainability indexes were compared in the case study for Baltic States;
Policy implications were provided based on the research conducted.
Avoid, acquiesce … or engage? New insights from sub‐Saharan Africa on MNE strategies for managing corruption
Authors: Stevens Charles E. , Newenham‐Kahindi Aloysius 
Published: August 2020

AbstractResearch summaryMany questions remain about how MNEs manage corruption. Moreover, what is known derives largely from the perspective and experiences of developed country MNEs. To address this limitation, we compare developed country and developing country MNEs' approaches for managing corruption in sub‐Saharan Africa. Through an inductive, qualitative research design, we discover how and why firms engage in “avoidance” and “acquiescence” strategies. We also uncover a novel “engagement” strategy pioneered by developing country firms that involves such tactics as finding innovative substitutes for corrupt activities, leveraging partnerships with governments and other firms, and forming deeper, long‐term relationships in the host country. These findings suggest that MNEs have more room for active agency and more proactive strategies for managing corruption than has typically been assumed in the literature.Managerial summaryMultinational firms face challenges in host countries where corruption is common, due to concerns that they will need to engage in corrupt acts in order to survive. Some respond by simply not operating in these countries, while others fall into the trap of engaging in illicit activities. We consider an alternative perspective: that firms may use deeper positive engagement with the host country to reduce pressures to engage in corruption, by building their popular acceptance and strengthening their bargaining power. Although we find that this “engagement” approach was first used by developing country firms, developed country firms have also begun using this strategy. The logic underlying this approach can help managers succeed abroad while reducing the need to get their hands dirty in the process.
Liquid Marbles in Liquid
Authors: Zhao Zhijian , Ling Chen , Wang Dan , Wang Jie‐Xin , Saczek Joshua , Pramana Stevin , Sridhar Sreepathy , Shang Jin , Xu Ben B. , Tsang Daniel C. W. , Chen Jian‐Feng , Wang Steven 
Published: August 2020

AbstractTraditional liquid marbles (LMs), liquid droplets encapsulated by hydrophobic particles at the liquid–gas interface, are restricted by their short lifetime and low heat transfer efficiency. Herein, a new paradigm for LMs immersed in various liquid mediums with massive enhanced heat transfer and spatial recognition is designed; without compromising the structural integrity, the lifetime of the liquid marbles in liquid (LMIL) is extended by ≈1000 times compared to classical LMs in air or naked droplets in organic reagents. The LMIL shows promising reverse structural re‐configurability while under external stimuli and maintaining their functionality for a very long period of time (≈weeks). These superior behaviors are further exploited as a miniature reactor with prolonged lifetimes and excellent temperature control, combined with its feasible operation, new opportunities will open up in the advanced chemical and biomedical engineering fields. It is also shown that LMIL can be applied in methylene blue degradation and 3D in‐vitro yeast cell cultures. These findings have important implications for real‐world use of LMs, with a number of applications in cell culture technology, lab‐in‐a‐drop, polymerization, encapsulation, formulation, and drug delivery.
Dual‐Carbon Batteries: Materials and Mechanism
Authors: Chen Suhua , Kuang Quan , Fan Hong Jin 
Published: August 2020

AbstractVarious carbon nanomaterials are being widely studied for applications in supercapacitors and Li‐ion batteries as well as hybrid energy storage devices. Dual‐carbon batteries (DCBs), in which both electrodes are composed of functionalized carbon materials, are capable of delivering high energy/power and stable cycles when they are rationally designed. This Review focuses on the electrochemical reaction mechanisms and energy storage properties of various carbon electrode materials in DCBs, including graphite, graphene, hard and soft carbon, activated carbon, and their derivatives. The interfacial chemistry between carbon electrodes and electrolyte is also discussed. The perspective for further development of DCBs is presented at the end.
Targeted Theranostic Nano Vehicle Endorsed with Self‐Destruction and Immunostimulatory Features to Circumvent Drug Resistance and Wipe‐Out Tumor Reinitiating Cancer Stem Cells
Authors: Joseph Manu M. , Ramya Adukkadan N. , Vijayan Vineeth M. , Nair Jyothi B. , Bastian Blossom T. , Pillai Raveendran K. , Therakathinal Sreelekha T. , Maiti Kaustabh K. 
Published: August 2020

AbstractThe downsides of conventional cancer monotherapies are profound and enormously consequential, as drug‐resistant cancer cells and cancer stem cells (CSC) are typically not eliminated. Here, a targeted theranostic nano vehicle (TTNV) is designed using manganese‐doped mesoporous silica nanoparticle with an ideal surface area and pore volume for co‐loading an optimized ratio of antineoplastic doxorubicin and a drug efflux inhibitor tariquidar. This strategically framed TTNV is chemically conjugated with folic acid and hyaluronic acid as a dual‐targeting entity to promote folate receptor (FR) mediated cancer cells and CD44 mediated CSC uptake, respectively. Interestingly, surface‐enhanced Raman spectroscopy is exploited to evaluate the molecular changes associated with therapeutic progression. Tumor microenvironment selective biodegradation and immunostimulatory potential of the MSN‐Mn core are safeguarded with a chitosan coating which modulates the premature cargo release and accords biocompatibility. The superior antitumor response in FR‐positive syngeneic and CSC‐rich human xenograft murine models is associated with a tumor‐targeted biodistribution, favorable pharmacokinetics, and an appealing bioelimination pattern of the TTNV with no palpable signs of toxicity. This dual drug‐loaded nano vehicle offers a feasible approach for efficient cancer therapy by on demand cargo release in order to execute complete wipe‐out of tumor reinitiating cancer stem cells.
Enhanced Photothermal Therapy through the In Situ Activation of a Temperature and Redox Dual‐Sensitive Nanoreservoir of Triptolide
Authors: Liu Hai‐Jun , Wang Mingming , Hu Xiangxiang , Shi Shanshan , Xu Peisheng 
Published: August 2020

AbstractPhotothermal therapy (PTT) has attracted tremendous attention due to its noninvasiveness and localized treatment advantages. However, heat shock proteins (HSPs) associated self‐preservation mechanisms bestow cancer cells thermoresistance to protect them from the damage of PTT. To minimize the thermoresistance of cancer cells and improve the efficacy of PTT, an integrated on‐demand nanoplatform composed of a photothermal conversion core (gold nanorod, GNR), a cargo of a HSPs inhibitor (triptolide, TPL), a mesoporous silica based nanoreservoir, and a photothermal and redox di‐responsive polymer shell is developed. The nanoplatform can be enriched in the tumor site, and internalized into cancer cells, releasing the encapsulated TPL under the trigger of intracellular elevated glutathione and near‐infrared laser irradiation. Ultimately, the liberated TPL could diminish thermoresistance of cancer cells by antagonizing the PTT induced heat shock response via multiple mechanisms to maximize the PTT effect for cancer treatment.
Design of the metro tunnel project tunnel linings for fire testing
Authors: Guerrieri Maurice , Sanabria Carlos , Lee Wei Ming , Pazmino Esteban , Patel Rahul 
Published: August 2020

AbstractWith a growing pipeline of major transport infrastructure projects transforming Victoria's road and rail networks, there is an increase in demand for the construction of underground tunnels using the shield tunneling method. Such tunnels need to be designed for fire resistance in order to preserve both structural integrity and serviceability in the event of a fire event. This paper describes the approach taken to design the concrete tunnel lining segments for Melbourne's Metro Tunnel Project for structural stability during a severe fire incident. Two types of fire testing programs were implemented, both of which used the RABT ZTV (rail) fire curve. The first involved the fire testing of 12 unloaded flat panels in order to determine whether a particular concrete mix design would be susceptible to spalling. Second, six prototype full scale tunnel lining segments were subjected to full scale structural fire testing, for the first time in Australia. The results indicated that full scale structurally loaded fire tests are essential as unloaded flat panels underestimate the degree of spalling. Addition of PP fibers are successful in mitigating spalling in addition to using pozzolans cements such as flyash and slag.
Vibration analysis of third generation nuclear power plant considering soil‐structure‐interaction effect under the impact of large commercial aircraft
Authors: Li Jianbo , Mei Runyu , Wang Yougang , Lin Gao , Pan Rong 
Published: August 2020

SummaryDespite the rapid development of nuclear power, the risk of unforeseen beyond‐design‐basis events has become a major concern for nuclear power plant (NPP) operators such as malicious aircraft impacts (AIs). This paper aims to perform vibration analysis on a Generation III NPP subjected to a large commercial aircraft crash, considering soil‐structure‐interaction (SSI) effect. Based on the verified finite element (FE) models of the aircraft Airbus A340 and the NPP, the whole collision process is reproduced numerically by adopting the missile‐target‐interaction method. The selection of soil type was based on AP1000 six‐design soil sites, and five of which were selected for this study. The effect of impact direction, impact height, and embedment is also considered. Results showed that the soil type has a significant effect on the vibration response of points on the base‐mat. Generally, the flexibility of soil increases the response of these points. In the process of propagation, the more flexible the soil is, the faster the weakening range will be. Different impact location will have great influence on the AI‐induced vibration intensity of some areas of the NPP, such as the base‐mat in the shield building. Increasing embedded depth reduces the response of points on the base‐mat.