bluuebunny/crossref_metadata_2025_split huggingface dataset:
Construction of New Azo‐group Containing Polycyclic Imidazole Derivatives: Computational Mechanistic, Structural, and Fluorescence Studies
Authors: Abdullayev Yusif , Mammadov Ayaz , Karimova Nazani , Talybov Avtandil , Yolchuyeva Ulviyya , Autschbach Jochen 
Published: May 2020

AbstractThree polycyclic aromatic imidazole derivatives 2‐phenyl‐1‐(4‐(phenyldiazenyl)phenyl)‐1H‐phenanthro[9,10‐d]imidazole (PRO), 2‐(4‐methoxyphenyl)‐1‐(4‐(phenyldiazenyl)phenyl)‐1H‐phenanthro[9,10‐d]imidazole (PRO1), 2‐(2,4‐dichlorophenyl)‐1‐(4‐(phenyldiazenyl)phenyl)‐1H‐phenanthro[9,10‐d]imidazole (PRO2) are synthesized with one‐pot four component fusion reaction using 1,4‐dimethylpyperazinium dihydrosulfate ([Me2pi][HSO4]2) ionic liquid (IL) catalyst (3 mol%). Mechanistic studies are performed with DFT M06 L functional. The utilized IL catalyst holds two moles of HSO4− per one mole of 1,4‐dimethylpyperazinium (cation part), which increases its catalytic performance in a trans form (Figure 1). The IL catalytic effects are determined and described in the optimized transition state structures (Figure 2). Important transition states for the rate‐limiting step (▵G≠=26.56 kcal/mol), the five‐membered imidazole ring formation (▵G≠=6.9 kcal/mol), and the C(sp3)‐H (▵G≠=2.06 kcal/mol) activation are optimized. The PRO fluorescence properties are studied computationally (HOMO and LUMO energy gap=2.41 eV) and experimentally.
Synthesis of Chlorinated, Heteroatom‐Rich and Differently Fused Tricyclic β‐Lactams by Cu(I)‐Catalyzed Halogen Atom Transfer Radical Cyclization
Authors: Dawra Nisha , Ram Ram N. , Thakur Sujeet K. 
Published: May 2020

AbstractThe application of Cu (I)‐catalyzed halogen atom transfer radical cyclization (ATRC) for the synthesis of two different series of chlorinated, heteroatom rich and differently fused tricyclic β‐lactams has been demonstrated. N‐substituted‐3,4‐dihydropyrimidine‐2(1H)‐thiones synthesized by Biginelli reaction were used as starting materials for this synthetic pathway which upon S‐allylation/alkylation furnished 2‐allylthio/alkylthio‐1,4‐dihydropyrimidines (cyclic imines). Staudinger reaction of these cyclic imines with dichloroketene was employed to obtain the bicyclic dichloro‐S‐allyl/N‐allyl‐β‐lactams, which upon subsequent Cu(I)‐catalyzed ATRC produced two different series of tricyclic β‐lactams. The difference in the relative behavior of N‐allyl bicyclic dichloro‐β‐lactams and S‐allyl bicyclic dichloro‐β‐lactams towards ATRC was also introspected in terms of their relative rates of cyclization, the amount of catalyst loading needed and the stabilities of tricyclic‐β‐lactams obtained after cyclization. To study the relative reactivity of N‐allyl group and S‐allyl group towards ATRC, the bicyclic dichloro‐β‐lactams having both S‐allyl and N‐allyl groups were synthesized. The intramolecular competitive experiments revealed the high reactivity of S‐allyl group towards ATRC than the N‐allyl group.
Green Synthesis and Direct Z‐Scheme CdSe/BiOCl Heterojunctions for Enhanced Photocatalytic Performance
Authors: Shi Hongqi , Wei Xinwen , Zhang Jian , Long Qiang , Liu Wenjuan , Zhou Yongmin , Ding Yi 
Published: May 2020

AbstractThe introduction of heterojunctions is an effective way to improve catalytic activity in photocatalytic composites. Herein, a series of CdSe quantum dot‐modified BiOCl heterojunction composites were successfully prepared by a green in‐situ deposition protocol. Photocatalytic ability of CdSe/BiOCl composite can be simply tailored by adjusting CdSe amount. The obtained CdSe/BiOCl composites showed superior photodegradation capability and excellent stability. The optimum BiOCl composite with 1.0% CdSe modification exhibited a 1.5 times higher degradation rate than pure BiOCl nanosheets, and photodegradation efficiency maintains still high after four cycles. Physical characterization confirms the formation of heterostructure, while electrochemical impedance spectroscopy and photoluminescence spectrum demonstrate composite with higher separation efficiency of photo‐generated electron‐hole pairs. At last, the heterojunction of Z‐Scheme satisfies the photocatalytic mechanism of CdSe/BiOCl, and the holes (h+) with superoxide radicals (⋅O2−) are the main active factors in photodegradation process based on the experiment of scavengers.
Reversible Conductive Inkjet Printing of Healable and Recyclable Electrodes on Cardboard and Paper
Authors: Kang Dong Jin , Jüttke Yvonne , González‐García Lola , Escudero Alberto , Haft Marcel , Kraus Tobias 
Published: May 2020

AbstractConductive inkjet printing with metal nanoparticles is irreversible because the particles are sintered into a continuous metal film. The resulting structures are difficult to remove or repair and prone to cracking. Here, a hybrid ink is used to obviate the sintering step and print interconnected particle networks that become highly conductive immediately after drying. It is shown that reversible conductive printing is possible on low‐cost cardboard samples after applying standard paper industry coats that are adapted in terms of surface energy and porosity. The conductivity of the printed films approaches that of sintered standard inks on the same substrate, but the mobility of the hybrid particle film makes them less sensitive to cracks during bending and folding of the substrate. Damages that occur can be partially repaired by wetting the film such that particle mobility is increased and particles move to bridge insulating gaps in the film. It is demonstrated that the conductive material can be recovered from the cardboard at the end of its life time and be redispersed to recycle the particles and reuse them in conductive inks.
PARCIV: Recognizing physical activities having complex interclass variations using semantic data of smartphone
Authors: Usman Sarwar Muhammad , Rehman Javed Abdul , Kulsoom Farzana , Khan Suleman , Tariq Usman , Kashif Bashir Ali 
Published: May 2020

SummarySmartphones are equipped with precise hardware sensors including accelerometer, gyroscope, and magnetometer. These devices provide real‐time semantic data that can be used to recognize daily life physical activities for personalized smart health assessment. Existing studies focus on the recognition of simple physical activities but they lacked in providing accurate recognition of physical activities having complex interclass variations. Therefore, this research focuses on the accurate recognition of physical activities having complex interclass variations. We propose a two‐layered approach calledPARCIVthat first clusters similar activities based on semantic data and then recognize them using a machine learning classifier. Our two‐layered approach first bounds the highly indistinguishable activities in clusters to avoid misclassification with other distinguishable activities and thereafter recognize them on a fine‐grained level within each cluster. To evaluate our approach, we make an android application that collects labeled data by using smartphone sensors from 10 participants, while performing activities.PARCIVrecognizes distinguishable as well as indistinguishable activities with high accuracy of 99% on the self‐collected dataset. Furthermore,PARCIVachieve 95% accuracy on the publicly available dataset used by state‐of‐the‐art studies.PARCIVoutperforms various state‐of‐the‐art studies by 8%‐17% for simple activities as well as complex activities.
Component‐aware orchestration of cloud‐based enterprise applications, from TOSCA to Docker and Kubernetes
Authors: Bogo Matteo , Soldani Jacopo , Neri Davide , Brogi Antonio 
Published: May 2020

SummaryEnterprise IT is currently facing the challenge of coordinating the management of complex, multicomponent applications across heterogeneous cloud platforms. Containers and container orchestrators provide a valuable solution to deploy multicomponent applications over cloud platforms, by coupling the lifecycle of each application component to that of its hosting container. We hereby propose a solution for going beyond such a coupling, based on the OASIS standard TOSCA and on Docker. We indeed propose a novel approach for deploying multicomponent applications on top of existing container orchestrators, which enables managing each component independently from the container used to run it. We also present prototype tools that implement our approach, and we show how we effectively exploited them to carry out a concrete case study.
System‐of‐systems tools and techniques for the analysis of cyber‐physical systems
Authors: Guariniello Cesare , Raz Ali Khalid , Fang Zhemei , DeLaurentis Daniel 
Published: May 2020

AbstractDynamic and real‐time adaptive configuration of Cyber‐Physical Systems (CPSs) results in increased complexity due to a variety of heterogeneous and interdependent variables and creates unique challenges. For example, (a) Emergent Behavior: How do we ensure that system constituents dynamically and adaptively collaborate to produce a consistent repeatable functionality while supporting the capability to upgrade the individual entities through technology infusion; (b) Scale: How do we ensure scalability of these systems by managing complexity; and (c) Risk Management: How do we evaluate and manage the risks associated with the connection and interdependencies of heterogenous systems. Design and development of this new generation of CPSs can be viewed through the lens of System‐of‐Systems (SoS) methodology which is designed to analyze and assess the evolving topologies created by interactions within a large complex system operating in dynamic and uncertain environment. In this paper, we propose the use of several SoS tools and techniques for the analysis and design of next‐generation CPSs. Our SoS methodologies address features such as diversity of component systems, complex hierarchical structures, dynamic and emergent behavior, and interactions between components. Therefore, they are suitable to treat some of the challenging features of CPSs. However, it is necessary to modify these methodologies to address specific aspects of CPSs. Constraints and metrics from SoS methodology, applied to the design space, will support decision on component systems and the topology of their connections, and provide a set of “good designs,” with desired characteristics.
In Situ Visualization of Performance-Related Data in Parallel CFD Applications
Authors: Alves Rigel F. C. , Knüpfer Andreas 
Published: May 2020

Abstract
This paper aims at investigating the feasibility of using ParaView as visualization software for the analysis and optimization of parallel CFD codes’ performance. The currently available software tools for reading profiling data do not match the generated measurements to the simulation’s original mesh and somehow aggregate them (rather than showing them on a time-step basis). A plugin for the open-source performance tool Score-P has been developed, which intercept an arbitrary number of manually selected code regions (mostly functions) and send their respective measurements – amount of executions and cumulative time spent – to ParaView (through its in situ library, Catalyst), as if they were any other flow-related variable. Results show that (i) the impact of mesh partition algorithms on code performance and (ii) the load imbalances (and their eventual relationship to mesh size/simulation physics) become easier to investigate.
Cell-specific conditional deletion of interleukin-1 (IL-1) ligands and its receptors: a new toolbox to study the role of IL-1 in health and disease
Authors: Pinteaux Emmanuel , Abdulaal Wesam H , Mufazalov Ilgiz A , Humphreys Neil E , Simonsen-Jackson Maj , Francis Sheila , Müller Werner , Waisman Ari 
Published: May 2020

AbstractThe pro-inflammatory cytokine interleukin-1 (IL-1) plays a key role in many physiological processes and during the inflammatory and immune response to most common diseases. IL-1 exists as two agonists, IL-1α and IL-1β that bind to the only signaling IL-1 type 1 receptor (IL-1R1), while a second decoy IL-1 type 2 receptor (IL-1R2) binds both forms of IL-1 without inducing cell signaling. The field of immunology and inflammation research has, over the past 35 years, unraveled many mechanisms of IL-1 actions, through in vitro manipulation of the IL-1 system or by using genetically engineered mouse models that lack either member of the IL-1 family in ubiquitous constitutive manner. However, the limitation of global mouse knockout technology has significantly hampered our understanding of the precise mechanisms of IL-1 actions in animal models of disease. Here we report and review the recent generation of new conditional mouse mutants in which exons ofIl1a,Il1b,Il1r1, andIl1r2genes flanked by loxP sites (fl/fl) can be deleted in cell-/tissue-specific constitutive or inducible manner by Cre recombinase expression. Hence, IL-1αfl/fl, IL-1βfl/fl, IL-1R1fl/fl, and IL-1R2fl/flmice constitute a new toolbox that will provide a step change in our understanding of the cell-specific role of IL-1 and its receptor in health and disease and the potential development of targeted IL-1 therapies.
Air-coupled ultrasound detection of natural defects in wood using ferroelectret and piezoelectric sensors
Authors: Tiitta M. , Tiitta V. , Gaal M. , Heikkinen J. , Lappalainen R. , Tomppo L. 
Published: May 2020

AbstractAir-coupled ultrasound was used for assessing natural defects in wood boards by through-transmission scanning measurements. Gas matrix piezoelectric (GMP) and ferroelectret (FE) transducers were studied. The study also included tests with additional bias voltage with the ferroelectret receivers. Signal analyses, analyses of the measurement dynamics and statistical analyses of the signal parameters were conducted. After the measurement series, the samples were cut from the measurement regions and the defects were analyzed visually from the cross sections. The ultrasound responses were compared with the results of the visual examination of the cross sections. With the additional bias voltage, the ferroelectret measurement showed increased signal-to-noise ratio, which is especially important for air-coupled measurement of high-attenuation materials like wood. When comparing the defect response of GMP and FE sensors, it was found that FE sensors had more sensitive dynamic range, resulting from better s/n ratio and short response pulse. Classification test was made to test the possibility of detecting defects in sound wood. Machine learning methods including decision trees, k-nearest neighbor and support vector machine were used. The classification accuracy varied between 72 and 77% in the tests. All the tested machine learning methods could be used efficiently for the classification.
Whole-body magnetic resonance imaging in pediatric oncology — recommendations by the Oncology Task Force of the ESPR
Authors: Schäfer Jürgen F. , Granata Claudio , von Kalle Thekla , Kyncl Martin , Littooij Annemieke S. , Di Paolo Pier Luigi , Sefic Pasic Irmina , Nievelstein Rutger A. J. ,   on behalf of the Oncology Task Force of the ESPR
Published: May 2020

AbstractThe purpose of this recommendation of the Oncology Task Force of the European Society of Paediatric Radiology (ESPR) is to indicate reasonable applications of whole-body MRI in children with cancer and to address useful protocols to optimize workflow and diagnostic performance. Whole-body MRI as a radiation-free modality has been increasingly performed over the last two decades, and newer applications, as in screening of children with germ-line mutation cancer-related gene defects, are now widely accepted. We aim to provide a comprehensive outline of the diagnostic value for use in daily practice. Based on the results of our task force session in 2018 and the revision in 2019 during the ESPR meeting, we summarized our group’s experiences in whole-body MRI. The lack of large evidence by clinical studies is challenging when focusing on a balanced view regarding the impact of whole-body MRI in pediatric oncology. Therefore, the final version of this recommendation was supported by the members of Oncology Task Force.
Sub-annual fluorescence measurements of coral skeleton: relationship between skeletal luminescence and terrestrial humic-like substances
Authors: Kaushal Nikita , Yang Liudongqing , Tanzil Jani T. I. , Lee Jen Nie , Goodkin Nathalie F. , Martin Patrick 
Published: May 2020

AbstractSome massive coral core slices reveal luminescent bands under ultraviolet light, which have been attributed to terrestrial humic acids in the skeleton. Coral luminescence has therefore been used to reconstruct past climate and hydrological variability. However, it has remained unresolved how closely coral luminescence at sub-annual resolution is related to terrestrial humic acid concentrations. This study presents a solution-based fluorescence method to quantify terrestrial humic substances in less than 4 mg of coral powder. The results show that in corals from Malaysia and Singapore, the luminescence green-to-blue ratio is correlated with skeletal concentrations of terrestrial humic substances (R2 > 0.40, p < 0.001) at two sites that are exposed to terrestrial dissolved organic matter from peatlands on Sumatra. In contrast, coral cores from two other sites located far from major terrestrial organic matter sources show lower green-to-blue values and no convincing correlation with fluorescence intensity of terrestrial humic substances in the skeleton. Abiogenic aragonite precipitation experiments with both terrestrial and marine organic matter sources confirmed that terrestrial humic substances are readily incorporated into aragonite, but not fluorescent organic matter from marine sources. The results of this study suggest that in coral cores with high luminescence green-to-blue ratios (> 0.6) and large downcore variability (range of ≥ 0.05), the green-to-blue ratio is strongly linked to variation in terrestrial humic substances. Coral cores therefore have the potential to reconstruct past variation in terrigenous dissolved organic carbon fluxes.
Citrus Leafminer Management: Jasmonic Acid versus Efficient Pesticides
Authors: Elazab Doaa S. , Ahmed Mohamed Ahmed Ibrahim , El-Mahdy Marwa T. , Amro Ahmed 
Published: May 2020

AbstractThe citrus leafminer (Phyllocnistis citrella Stainton) is a significant pest for Citrus spp. worldwide. Hence, the effectiveness of jasmonic acid (JA) was compared to three pesticides, abamectin, thiamethoxam, and acetamiprid, against P. citrella infesting mandarin (Citrus reticulata L.) and lime (C. aurantifolia L.) seedlings. Mortality rate was significantly different due to JA and other pesticides treatments. Moreover, on the 3rd day after treatment, JA demonstrated the highest reduction percentage of leafminer (77.08 and 33.33%) on mandarin and lime, respectively. By the 10th day after treatment, JA and abamectin displayed 100% reduction in both plant species. Furthermore, the foliar application of JA enhanced the most vegetative characteristics in the treated seedlings, including growth rate (shoot length/root length), fresh and dry weights of shoot and root as well as the number of leaves/seedling. Moreover, soluble protein content was increased significantly under JA treatment in the two Citrus spp. Jasmonic acid showed a good biological activity, which gives a practical reason to recommend it to be integrated in pest management programs as an alternative product for controlling P. citrella.
Wearable sensors can reliably quantify gait alterations associated with disability in people with progressive multiple sclerosis in a clinical setting
Authors: Angelini Lorenza , Hodgkinson William , Smith Craig , Dodd Jessie Moorman , Sharrack Basil , Mazzà Claudia , Paling David 
Published: May 2020

AbstractGait disability in people with progressive multiple sclerosis (MS) is difficult to quantify using existing clinical tools. This study aims to identify reliable and objective gait-based biomarkers to monitor progressive multiple sclerosis (MS) in clinical settings. During routine clinical visits, 57 people with secondary progressive MS and 24 healthy controls walked for 6 minutes wearing three inertial motion sensors. Fifteen gait measures were computed from the sensor data and tested for between-session reliability, for differences between controls and people with moderate and severe MS disability, and for correlation with Expanded Disability Status Scale (EDSS) scores. The majority of gait measures showed good to excellent between-session reliability when assessed in a subgroup of 23 healthy controls and 25 people with MS. These measures showed that people with MS walked with significantly longer step and stride durations, reduced step and stride regularity, and experienced difficulties in controlling and maintaining a stable walk when compared to controls. These abnormalities significantly increased in people with a higher level of disability and correlated with their EDSS scores. Reliable and objective gait-based biomarkers using wearable sensors have been identified. These biomarkers may allow clinicians to quantify clinically relevant alterations in gait in people with progressive MS within the context of regular clinical visits.
Guideline adherence in German routine care of children and adolescents with ADHD: an observational study
Authors: Mücke Kristina , Plück Julia , Steinhauser Susanne , Hellmich Martin , Scholz Kristin , Sonneck Astrid , Winkler Lisa , Döpfner Manfred 
Published: May 2020

AbstractAlthough guidelines for the assessment and treatment of mental disorders in childhood and adolescence have been available in Germany for several years, there are barely any data on adherence to guidelines in national routine care. Therefore, the study aimed at a nationwide evaluation of guideline adherence (GA) for the assessment and treatment of children and adolescents with attention-deficit/hyperactivity disorder (ADHD) in German routine care in various groups of health care providers (HCPs). Besides a detailed description of GA, the study focused on examining possible differences between professional groups. Furthermore, data based on global self-reports of clinicians were compared with ratings of documented care in individual patients. Protocols of 73 clinicians regarding their handling of ADHD in routine care for 167 patients were rated according to German guideline recommendations for ADHD care. GA was measured as the proportion of components fulfilled in each individual patient as documented by the HCP. The results were compared to a preceding interview with clinicians regarding their GA. Multilevel models were constructed to detect differences in GA between professional groups. Based on mandatory guideline components, adherence rates of 38.9–72.7% were found and classified as moderate (33.3% < GA ≤ 66.6%) to high (GA > 66.6%). The comparison of the GA between the professional groups generally yielded only small differences. Correlations between GA reported globally by the HCPs and GA documented and rated for individual cases were low. Overall, most rates of GA for ADHD in German routine care lay within a moderate range. Targets for enhancement of GA may be the involvement of teachers and schools in the treatment process, the implementation of psychoeducational methods in general, as well as a careful examination of patients, including monitoring of treatment effects during titration trials. The development of further strategies to monitor the quality of ADHD routine care is needed.