bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ferrous to Ferric Transition in Fe‐Phthalocyanine Driven by NO2 Exposure
Authors: Cojocariu Iulia , Carlotto Silvia , Sturmeit Henning Maximilian , Zamborlini Giovanni , Cinchetti Mirko , Cossaro Albano , Verdini Alberto , Floreano Luca , Jugovac Matteo , Puschnig Peter , Piamonteze Cinthia , Casarin Maurizio , Feyer Vitaliy , Schneider Claus Michael 
Published: December 2020

AbstractDue to its unique magnetic properties offered by the open‐shell electronic structure of the central metal ion, and for being an effective catalyst in a wide variety of reactions, iron phthalocyanine has drawn significant interest from the scientific community. Nevertheless, upon surface deposition, the magnetic properties of the molecular layer can be significantly affected by the coupling occurring at the interface, and the more reactive the surface, the stronger is the impact on the spin state. Here, we show that on Cu(100), indeed, the strong hybridization between the Fe d‐states of FePc and the sp‐band of the copper substrate modifies the charge distribution in the molecule, significantly influencing the magnetic properties of the iron ion. The FeII ion is stabilized in the low singlet spin state (S=0), leading to the complete quenching of the molecule magnetic moment. By exploiting the FePc/Cu(100) interface, we demonstrate that NO2 dissociation can be used to gradually change the magnetic properties of the iron ion, by trimming the gas dosage. For lower doses, the FePc film is decoupled from the copper substrate, restoring the gas phase triplet spin state (S=1). A higher dose induces the transition from ferrous to ferric phthalocyanine, in its intermediate spin state, with enhanced magnetic moment due to the interaction with the atomic ligands. Remarkably, in this way, three different spin configurations have been observed within the same metalorganic/metal interface by exposing it to different doses of NO2 at room temperature.
Ring Expansion of Thiolactams via Imide Intermediates: An Amino Acid Insertion Strategy
Authors: Shang Jing , Thombare Varsha J. , Charron Carlie L. , Wille Uta , Hutton Craig A. 
Published: December 2020

AbstractThe AgI‐promoted reaction of thiolactams with N‐Boc amino acids yields an N‐(α‐aminoacyl) lactam that can rearrange through an acyl transfer process. Boc‐deprotection results in convergence to the ring‐expanded adduct, thereby facilitating an overall insertion of an amino acid into the thioamide bond to generate medium‐sized heterocycles. Application to the site‐specific insertion of amino acids into cyclic peptides is demonstrated.
Remote colorimetric measurements by hyperspectral lidar compared to contact conventional colorimetry
Authors: Angelini Federico , Felici Anna C. , Franchi Martina , Spizzichino Valeria 
Published: December 2020

AbstractLidars have many applications in different fields, including the field of Cultural Heritage. The purpose of this study is to evaluate a scanning hyperspectral lidar prototype developed at ENEA Center of Frascati as a useful tool for colorimetric analysis when samples cannot be studied with standard contact instruments. A certified X‐Rite Color‐checker sample, consisting of 24 colored blocks with a coordinated colorimetric certificate, was analyzed. In order to obtain colorimetric data from the reflectance spectra, the precepts of the Commission de l'Éclairage were followed and an algorithm was developed to calculate the color difference between the certified values of the Color‐checker and commercial and non‐commercial spectrophotometers and those obtained by the lidar, confirming this latter as a useful tool for remote colorimetry.
A botnets control strategy based on variable forgetting rate of control commands
Authors: Wang Song , Elahi Haroon , Hu Yanzhu , Zhang Yixin , Wang Jiao 
Published: December 2020

AbstractBotnets take advantage of the vulnerabilities in the device‐to‐device (D2D) communication in the Internet of Things (IoT) systems. The infect devices may become part of the command and control mechanism of Botnets. These infected devices may forget control commands to remain undetected. State‐of‐the‐art control models for botnets based on how devices are infected and patched in IoT systems while dealing with Botnets assume that the rate at which IoT devices forget the control commands (forgetting rate) is constant and known. These control models ignore the possible variability of the forgetting rate, which may enable bots to operate without being detected. This research fills this gap by proposing a modeling‐based strategy that considers the changes in equipment states and repair speed when the forgetting rate is variable. In this regard, first, based on the state‐of‐the‐art botnets control model, the effect of variation in the forgetting rate is analyzed. After that, an improved strategy is proposed for the botnets control model when the forgetting rate is unknown. Finally, the experimental evaluation of the proposed strategy is performed that proves the correctness of the proposed control strategy.
Highly Efficient Sodium‐Ion Storage Enabled by an rGO‐Wrapped FeSe2 Composite
Authors: Zhang Yawei , Wu Yuanke , Zhong Wei , Xiao Fangyuan , Kashif Aslam Muhammad , Zhang Xuan , Xu Maowen 
Published: December 2020

AbstractExploitation of superior anode materials is a key step to realize the pursuit of high‐performance sodium‐ion batteries. In this work, a reduced graphene oxide‐wrapped FeSe2 (FeSe2@rGO) composite derived from a metal–organic framework (MOF) was synthesized to act as the anode material of sodium‐ion batteries. The MOF‐derived carbon framework with high specific surface area could relieve the large volumetric change during cycling and ensure the structural stability of electrode materials. Besides, the rGO conductive network allowed to promote the electron transfer and accelerate reaction kinetics as well as to provide a protection role for the internal FeSe2. As a result, the FeSe2@rGO composite exhibited a high capacity of 350 mAh g−1 after 600 cycles at 5 A g−1. Moreover, in situ XRD was conducted to explore the reaction mechanism of the FeSe2@rGO composite upon sodiation/de‐sodiation. Importantly, the presented method for the synthesis of MOF‐derived materials wrapped by rGO could not only be used for FeSe2@rGO‐based sodium‐ion batteries but also for the different transition metal‐based composite materials for electrochemical devices, such as water splitting and sensors.
A selected small molecule prevents inflammatory osteolysis through restraining osteoclastogenesis by modulating PTEN activity
Authors: Chen Yueqi , Hu Wenhui , Wang Yiran , Li Yuheng , Li Xiaoming , Li Haibo , Tang Yong , Zhang Lincheng , Dong Yutong , Yang Xiaochao , Wei Ye , Dong Shiwu 
Published: December 2020

AbstractBackgroundInflammatory osteolysis is a severe infectious bone disorder that occurs during orthopaedic surgery and is caused by disruptions in the dynamic balance of bone matrix homeostasis, which makes this condition a burden on surgical procedures. Developing novel therapeutic drugs about inhibiting excessive osteoclastogenesis acts as an efficient approach to preventing inflammatory bone destruction.MethodsTo study this, we explored the potential effects and mechanisms of compound 17 on inflammatory osteolysis in vitro. Meanwhile, a lipopolysaccharide (LPS)‐induced calvarial osteolysis mouse model was used to evaluate the protective effect of compound 17 on inflammatory bone destruction in vivo.ResultsIn our study, we found that compound 17 could inhibit osteoclast (OC) differentiation and bone resorption during RANKL and LPS stimulation in a time‐ and dose‐dependent manner, while compounds 5 and 13 did not have the same effects. Mechanistically, compound 17 promoted phosphatase and tensin homologue (PTEN) activity by reducing PTEN ubiquitination, thereby restraining the RANKL‐induced NF‐κB pathway, resulting in the inhibition of the expression of osteoclastogenesis‐related genes and the formation of the NLRP3 inflammasome. Additionally, we also investigated whether compound 17 could negatively modulate macrophage polarization and repolarization due to its anti‐inflammatory effects. Moreover, compound 17 also plays an important role in osteoblast differentiation and mineralization. In vivo experiments showed that compound 17 could effectively protect mice from LPS‐induced inflammatory bone destruction by inhibiting osteoclastogenesis and inflammation.ConclusionsTaken together, these results show that compound 17 might play protective role in inflammatory bone destruction through inhibiting osteoclastogenesis and inflammation. These findings imply a possible role of compound 17 in inflammatory osteolysis‐related diseases.
Optimization and validation of a new approach based on CE‐HRMS for the screening analysis of novel psychoactive substances (cathinones, phenethylamines, and tryptamines) in urine
Authors: Gottardo Rossella , Sorio Daniela , Soldati Giulia , Ballotari Marco , Porpiglia Nadia Maria , Tagliaro Franco 
Published: December 2020

AbstractThe continuous introduction in the market of new psychoactive drugs (NPS) represents a well‐known international emergency. Indeed, the European Monitoring Centre for Drugs and Drug Addiction and the United Nations Office on Drugs and Crime are paying great attention to the spread of NPS. In addition to the traditional analytical approaches based on GC‐MS and HPLC‐MS, also CE coupled with MS has proved to be a precious tool for the toxicological screening of biosamples. On these grounds, the aim of the present work was to test the application of CE‐HRMS as a new screening tool for the rapid detection of these novel drugs in urine. Separations were performed in an uncoated fused‐silica capillary with id of 75 μm with a total length of 100 cm, by applying a constant voltage of 15 kV. The QTOF‐MS was implemented with an electrospray ion source operating in positive ionization full scan mode in the range of 100–1000 m/z. Under these conditions, different NPS has been tested, including eight cathinones, five phenethylamine, and seven tryptamines. The method was validated after optimization of the following analytical parameters: BGE composition and pH, separation voltage, sheath liquid composition, and flow rate and ESI source settings. The applicability of the method was successfully tested by analyzing a series of real urine samples obtained from drug users.
Resolving mode mixing in boiling water reactors instability analysis using variational mode decomposition
Authors: Montalvo Cristina , Gavilán Carlos J. , García‐Berrocal Agustin , Torres Luis A. 
Published: December 2020

SummaryIn dynamic, complex and nonlinear systems, the analysis of transients, instabilities or unusual events is fundamental, as well as the knowledge of the system's behavior in the frequency space. What is usual in this type of study is to have discrete and digitally acquired data, due to a sampling process with a determined period or frequency. Extracting information from this data set is done by numerical methods, such as the Fourier Transform (FFT), the Hilbert‐Huang Transform (HHT) or techniques from chaos mathematics (Attractors). In this way we have scarce data, with some loss of information, analyzed with numerical techniques that introduce, also, some dilution of the information. In particular, the techniques of analysis in the frequency space, by their very nature, blur, frequencies and bandwidths. This leads in some cases to the identification of unsuitable or very wide frequencies or intervals, which make the extracted information unusable. To this effect, we have studied the VMD technique that provides more real and representative frequencies of the system as well as narrower bandwidths that make possible better identification of phenomena and influences. This technique has been applied to the analysis of thermohydraulic instabilities in nuclear boiling water reactors (BWR). The cases had already been analyzed with STFT and HHT techniques. The results of the application of the VMD shows that the mode mixing is solved, so modes obtained are monofrequency and these frequency bands are narrower than in previous methodologies. This improved performance allows using backbone plots for identifying which modes are excited in instabilities events.
Partial leaching effect to Pt decorated Pd‐Fe/C nanoparticles for oxygen reduction reaction
Authors: Zhang Libo , Wang Xiaoran , Bayati Maryam , Xu Ben Bin , Liu Terence Xiaoteng , Zhu Hong 
Published: December 2020

SummaryA facile route to produce high‐performance Pt@Pd‐Fe/C oxygen reduction reaction (ORR) catalysts are explained in this article. The surface modification of partial leaching of Fe from Pd‐Fe nanoparticles followed by Pt decoration using microwave‐assisted method has largely enhanced the catalytic performances. Herein, we show that alloying Pd with Fe atoms improves the catalytic activity toward ORR by expending lattices to tune the strain and ligand effect. Further modification by partially leaching Fe atoms from the core surface can increase the active sites, the trace amounts of Pt decorated on the modified Pd‐Fe cores improved the ORR activity and stability by controlling the strain effect and ligand effect between Pt, Fe and Pd. Such a special designed structure interacts to give further improved the ORR catalytic performances which is higher than commercial Johnson Matthey Pt/C catalysts, and shed a light of mass production low‐cost catalyst.
Towards cough sound analysis using the Internet of things and deep learning for pulmonary disease prediction
Authors: Kumar Ajay , Abhishek Kumar , Ghalib Muhammad R. , Nerurkar Pranav , Shah Kunjal , Chandane Madhav , Bhirud Sunil , Patel Dhiren , Busnel Yann 
Published: December 2020

AbstractCough is a symptom in over a hundred respiratory diseases. The audio features in cough signals contain erudition about the predicament of the respiratory system. Using deep learning or signal processing, these features can be used to build an effective disease prediction system. However, cough analysis remains an area that has received scant attention from machine learning researchers. This can be attributed to several factors such as inefficient ancillary systems, high expenses in obtaining datasets, or difficulty in building classifiers. This article categorized and reviewed the current progress on cough audio analysis for the classification of pulmonary diseases. It also explored potential future issues in research. In addition, it proposed a model for the classification of 10 serious pulmonary ailments commonly seen in Indian adolescents. The proposed model is evaluated against four existing state‐of‐the‐art techniques in the literature.
Managing groundwater for building resilience for sustainable agriculture in South Asia
Authors: Sikka Alok K. , Alam Mohammad Faiz , Pavelic Paul 
Published: December 2020

AbstractSouth Asia's heavy reliance on groundwater for irrigated agricultural production supports the livelihoods of tens of millions of smallholder farmers but is being undermined by rampant overexploitation of groundwater. Without major intervention, this is expected to be further exacerbated by growing demand and climate change. Groundwater management, scientific and evidence‐based, can make an important contribution to managing unsustainable groundwater use and strengthening the climate resilience of farmers due to groundwater's unique storage characteristics. This study brings together a set of strategies and solutions to better manage groundwater that cover the augmentation of groundwater recharge through managed aquifer recharge, management of groundwater demand through participatory groundwater management and other methods, and the harnessing synergies of co‐dependent sectors. The opportunities, constraints and available evidence for each are analysed and the boundaries, barriers and specificities identified to establish entry points for positive change through policies and implementation programmes.
Expression levels of miR‐27a, miR‐329, ABCA1, and ABCG1 genes in peripheral blood mononuclear cells and their correlation with serum levels of oxidative stress and hs‐CRP in the patients with coronary artery disease
Authors: Rafiei Ali , Ferns Gordon A. , Ahmadi Reza , Khaledifar Arsalan , Rahimzadeh‐Fallah Tina , Mohmmad‐Rezaei Mina , Emami Shohreh , Bagheri Nader 
Published: December 2020

AbstractAtherosclerosis is a chronic inflammatory disease with high mortality worldwide. The reverse cholesterol transport pathway in macrophage plays an important role in the pathogenesis of coronary artery disease (CAD) and is strongly controlled by regulatory factors. The microRNAs can promote or prevent the formation of atherosclerotic lesions by post‐transcriptional regulation of vital genes in this pathway. Therefore, this study was conducted to investigate the relationship between the expression levels of miR‐27a, miR‐329, ABCA1, and ABCG1 genes and serum levels of hs‐CRP, ox‐LDL, and indices of oxidative stress in the patients with established CAD and controls. A total of 84 subjects (42 patients with CAD and 42 controls) were included in this study. Expression levels of miR‐27a‐3p, miR‐329‐3p, ABCA1, and ABCG1 genes in the peripheral blood mononuclear cells (PBMCs) and serum concentration of hs‐CRP and ox‐LDL were measured by real time‐PCR and ELISA, respectively. Also, oxidative stress parameters in the serum were evaluated by ferric‐reducing antioxidant power (FRAP) and malondialdehyde (MDA) assays. ABCA1 and ABCG1 gene expression in PBMC and serum concentration of FRAP were significantly lower in the CAD group compared to the control group. Expression levels of miR‐27a and miR‐329 and serum levels of hs‐CRP, ox‐LDL, and MDA were significantly higher in the CAD group compared to the control group. Serum levels of hs‐CRP, ox‐LDL, and expression level of miR‐27a have inversely related to ABCA1 and ABCG1 gene expression in all the subjects. An increase in the expression levels of miR‐27a and miR‐329 may lead to the progression of atherosclerosis plaque by downregulating the expression of ABCA1 and ABCG1 genes.
Graph decompositions in projective geometries
Authors: Buratti Marco , Nakić Anamari , Wassermann Alfred 
Published: December 2020

AbstractLet PG be the ‐dimensional projective space over and let be a simple graph of order for some . A design over is a collection of graphs (blocks) isomorphic to with the following properties: the vertex set of every block is a subspace of PG; every two distinct points of PG are adjacent in exactly blocks. This new definition covers, in particular, the well‐known concept of a design over corresponding to the case that is complete. In this study of a foundational nature we illustrate how difference methods allow us to get concrete nontrivial examples of ‐decompositions over or for which is a cycle, a path, a prism, a generalized Petersen graph, or a Moebius ladder. In particular, we will discuss in detail the special and very hard case that is complete and , that is, the Steiner 2‐designs over a finite field. Also, we briefly touch the new topic of near resolvable designs over . This study has led us to some (probably new) collateral problems concerning difference sets. Supported by multiple examples, we conjecture the existence of infinite families of Γ‐decompositions over a finite field that can be obtained by suitably labeling the vertices of Γ with the elements of a Singer difference set.
A cross‐sectional multicenter survey on the future of dental education in the era of COVID‐19: Alternatives and implications
Authors: Haridy Rasha , Abdalla Moamen A. , Kaisarly Dalia , Gezawi Moataz El 
Published: December 2020

AbstractPurposeThe coronavirus disease 2019 (COVID‐19) pandemic has significantly challenged dental education. This study investigated the procedures outlined by dental faculty members to maintain quality dental education in a safe bioenvironment and adequately control the risk of cross‐infectionMethodDental educators from dental schools around the world were invited to join an online survey considering different demographic factors. The survey consisted of 31 questions that were classified into separate sections, including academic characteristics, college size and facilities, action taken after announcement of the COVID‐19 pandemic, perception of the pandemic, opinion regarding teaching, patient flow, possible facilities to implement for short‐ and long‐term plans, and actions suggested to deal with the COVID‐19 pandemicResultsTwo hundred‐twelve responses were received. Respondents commonly agreed that COVID‐19 will have major negative effects on dental education, adversely affecting all clinical disciplines. Shifting to virtual curricula, simulation labs, and distant learning were the prevailing actions taken in different dental colleges during the pandemic. Special attention was raised by the majority of respondents regarding dental aerosolizing procedures, preferring to postpone their training to a postpandemic/later phase. Coinciding opinions suggested adopting a future dynamic hybrid strategy analysis that combines online distant learning, virtual simulation, and haptic labs together with traditional direct clinical training on real patientsConclusionThe future of dental education will have far‐reaching changes in strategies and tools to cope with COVID‐19 pandemic and the postpandemic requirements of an effective, yet safe, dental learning environment. Dental colleges need to invest in infection precautions and in modern virtual education and training facilities.
Photonic Technologies for Liquid Biopsies: Recent Advances and Open Research Challenges
Authors: Dell'Olio Francesco , Su Judith , Huser Thomas , Sottile Virginie , Cortés‐Hernández Luis Enrique , Alix‐Panabières Catherine 
Published: December 2020

AbstractThe recent development of sophisticated techniques capable of detecting extremely low concentrations of circulating tumor biomarkers in accessible body fluids, such as blood or urine, could contribute to a paradigm shift in cancer diagnosis and treatment. By applying such techniques, clinicians can carry out liquid biopsies, providing information on tumor presence, evolution, and response to therapy. The implementation of biosensing platforms for liquid biopsies is particularly complex because this application domain demands high selectivity/specificity and challenging limit‐of‐detection (LoD) values. The interest in photonics as an enabling technology for liquid biopsies is growing owing to the well‐known advantages of photonic biosensors over competing technologies in terms of compactness, immunity to external disturbance, and ultrahigh spatial resolution. Some encouraging experimental results in the field of photonic devices and systems for liquid biopsy have already been achieved by using fluorescent labels and label‐free techniques and by exploiting super‐resolution microscopy, surface plasmon resonance, surface‐enhanced Raman scattering, and whispering gallery mode resonators. The current state‐of‐the‐art is critically reviewed here, starting from the requirements imposed by the detection of the most common circulating biomarkers. Open research challenges are considered together with competing technologies, and the most promising paths of improvement are discussed for future applications.