bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revealing Supramolecular Interactions and Electron Transport in Single Molecular Junctions of Cucurbit[n]uril
Authors: Wang Ya‐Hao , Zhou Yi‐Fan , Tong Ling , Huang Hong , Zheng Ju‐Fang , Xie Wenze , Chen Jing‐Zhe , Shao Yong , Zhou Xiao‐Shun 
Published: July 2021

AbstractProbing binding interaction and electron transport of supramolecules bridging metal electrodes are crucial to the design and construction of supramolecular electronic devices. Herein, scanning tunneling microscope break junction technique is employed to form single molecular junctions of cucurbit[n]uril (CB[n]) and their conductance is measured. It is found that the electrostatic interactions of the carbonyl portals contribute to form the molecular junctions of CB[n] family. As the number of the terminal carbonyl groups increases, the single‐molecule conductance linearly decreases as CB[5] > CB[6] > CB[7], which arise from the different interfacial coupling. This conductance order is also further confirmed by calculated energy‐dependent transmission coefficient T(E). The present work provides a single‐molecule level picture of supramolecular interactions and electron transport of CB[n] for the future design of nanodevices using supramolecular assemblies.
Lateral Growth of MoS2 2D Material Semiconductors Over an Insulator Via Electrodeposition
Authors: Abdelazim Nema M. , Noori Yasir J. , Thomas Shibin , Greenacre Victoria K. , Han Yisong , Smith Danielle E. , Piana Giacomo , Zhelev Nikolay , Hector Andrew L. , Beanland Richard , Reid Gillian , Bartlett Philip N. , de Groot Cornelis H. 
Published: July 2021

AbstractDeveloping novel techniques for depositing transition metal dichalcogenides is crucial for the industrial adoption of 2D materials in optoelectronics. In this work, the lateral growth of molybdenum disulfide (MoS2) over an insulating surface is demonstrated using electrochemical deposition. By fabricating a new type of microelectrodes, MoS2 2D films grown from TiN electrodes across opposite sides are connected over an insulating substrate, hence, forming a lateral device structure through only one lithography and deposition step. Using a variety of characterization techniques, the growth rate of MoS2 is shown to be highly anisotropic with lateral to vertical growth ratios exceeding 20‐fold. Electronic and photo‐response measurements on the device structures demonstrate that the electrodeposited MoS2 layers behave like semiconductors, confirming their potential for photodetection applications. This lateral growth technique paves the way toward room temperature, scalable, and site‐selective production of various transition metal dichalcogenides and their lateral heterostructures for 2D materials‐based fabricated devices.
Which management practices influence soil health in Midwest organic corn systems?
Authors: Sprunger Christine D. , Culman Steve W. , Deiss Leonardo , Brock Caroline , Jackson‐Smith Douglas 
Published: July 2021

AbstractFostering and maintaining soil health via holistic management is a central goal for most organic farmers. However, many questions remain regarding how different management practices influence soil health in farm fields. In this study, we used a mail‐in soil survey to assess how organic management practices such as crop diversity, perennials in rotation, tillage, manure use, and subscription to soil cation balancing influence soil biochemical health indicators in certified organic corn (Zea maysL.) fields. Organic farmers (n = 195) from the eastern Corn Belt mailed in soil along with a completed management survey to a research lab for analysis. Soils were analyzed for mineralizable carbon (C), permanganate oxidizable carbon (POXC), soil protein, texture, and routine soil nutrient analyses. Soil texture had the largest influence on soil biochemical health indicators, underscoring the need to consider soil type with soil health assessments. Crop diversity was negatively correlated with mineralizable C, soil C, and soil nitrogen (N) (r = –.19 to –.24) atp < .05 when perennials were in the rotation. This was attributed to tillage frequency increasing with crop diversity across all soil types. The presence of a perennial in rotation influenced soil biochemical health indicators, except for total C. Additionally, mineralizable C significantly increased when perennials were left in rotation for longer periods of time. This study demonstrates the effectiveness of incorporating management survey data with soil biochemical health analyses. We conclude that a main management driver for improved soil biochemical health in organic corn production systems is to reduce tillage intensity and incorporate perennials.
Ultrasound activatable antiangiogenic sonosensitizer for VEGFR associated glioblastoma tumor models
Authors: Son Subin , Zhang Chuangli , Won Miae , Jangili Paramesh , Choi Minhyeok , Wu Jiasheng , Kim Jong Seung 
Published: July 2021

AbstractAngiogenic signaling pathway is a major contributing factor in cancer recurrence and progression, which can cause significantly reduced treatment outcomes, especially in the oxygen‐dependent photo‐ and sonodynamic therapies. VEGF and its receptor (VEGFR) play a crucial role in angiogenesis progression; precisely, upregulated VEGF signaling is mainly associated with angiogenesis progression in many types of cancers. Herein, we report a sunitinib‐conjugated sonosensitizer (TK‐RB: tyrosine kinase‐rose bengal) to enhance the anticancer efficacy through VEGF inhibition‐mediated antiangiogenesis in conjunction with cellular/tumor damage by ROS generated under ultrasound irradiation. TK‐RB reveals good selectivity and cytotoxicity toward VEGFR‐positive cells (U87MG) over VEGFR‐negative cells (MCF‐7). The fluorescent imaging analysis in vivo/ex vivo and the tumor growth investigation in nude mice with U87MG glioblastoma tumor xenografts demonstrate that rose bengal having tyrosine kinase inhibitor (TK‐RB) provides an enhanced antitumor effect. The current strategy will make a great contribution to optimizing anticancer performance by utilizing sonodynamic therapy together with antiangiogenics in several different malignancies.
Singleton‐Merten syndrome: A rare cause of femoral head necrosis
Authors: Assaf Elio , Bdeir Mohamad , Mohs Elisabeth , Dally Franz‐Joseph , Gravius Sascha , Weis Cleo‐Aron , Darwich Ali 
Published: July 2021

AbstractSingleton‐Merten syndrome (SMS) is a type I interferonopathy. In this report, we disclose the first—to the best of our knowledge—direct association of SMS with femoral head necrosis (FHN). The following case report presents the condition of a 38‐year‐old male suffering from SMS with FHN, characterized by acute symptoms and rapid disease progression. As per the recommendations of the Association Research Circulation Osseous (ARCO) and the S3‐guidelines, we successfully treated the FHN with core decompression. Our histological results correlate with the changes described in medical literature in patients with SMS and MDA5‐knockout in vivo experiments such as osteopenia, widened medullary cavity, and thin cortical bone. Moreover, the conducted immunohistochemistry shows strong CD56 positivity of the osteoblasts and osteocytes, as well as significant CD68 and CD163 positivity of the middle‐sized osteoclasts. Collectively, these findings suggest an underlying syndrome in the FHN. A six‐month post‐operative follow‐up revealed complete recovery with the absence of the initial symptoms and ability to resume normal daily activities. Taken together, our findings suggest that SMS is an additional cause of FHN in young adults. Early detection and adequate treatment using well‐established joint‐preserving techniques demonstrate a favorable improvement of the patient's clinical condition.
Li2S6‐Integrated PEO‐Based Polymer Electrolytes for All‐Solid‐State Lithium‐Metal Batteries
Authors: Fang Ruyi , Xu Biyi , Grundish Nicholas S. , Xia Yang , Li Yutao , Lu Chengwei , Liu Yijie , Wu Nan , Goodenough John B. 
Published: July 2021

AbstractThe integration of Li2S6 within a poly(ethylene oxide) (PEO)‐based polymer electrolyte is demonstrated to improve the polymer electrolyte's ionic conductivity because the strong interplay between O2−(PEO) and Li+ from Li2S6 reduces the crystalline volume within the PEO. The Li/electrolyte interface is stabilized by the in situ formation of an ultra‐thin Li2S/Li2S2 layer via the reaction between Li2S6 and lithium metal, which increases the ionic transport at the interface and suppresses lithium dendrite growth. A symmetric Li/Li cell with the Li2S6‐integrated composite electrolyte has excellent cyclability and a high critical current density of 0.9 mA cm−2 at 40 °C. Impressive electrochemical performance is demonstrated with all‐solid‐state Li/LiFePO4 and high‐voltage Li/LiNi0.8Mn0.1Co0.1O2 cells at 40 °C.
Applying Machine Learning to Rechargeable Batteries: From the Microscale to the Macroscale
Authors: Chen Xiang , Liu Xinyan , Shen Xin , Zhang Qiang 
Published: July 2021

AbstractEmerging machine learning (ML) methods are widely applied in chemistry and materials science studies and have led to a focus on data‐driven research. This Minireview summarizes the application of ML to rechargeable batteries, from the microscale to the macroscale. Specifically, ML offers a strategy to explore new functionals for density functional theory calculations and new potentials for molecular dynamics simulations, which are expected to significantly enhance the challenging descriptions of interfaces and amorphous structures. ML also possesses a great potential to mine and unveil valuable information from both experimental and theoretical datasets. A quantitative “structure–function” correlation can thus be established, which can be used to predict the ionic conductivity of solids as well as the battery lifespan. ML also exhibits great advantages in strategy optimization, such as fast‐charge procedures. The future combination of multiscale simulations, experiments, and ML is also discussed and the role of humans in data‐driven research is highlighted.
Dual‐functioning core@shell nanofiber strip for enhancing drinking water quality: Polysulfone/graphene oxide adsorbent core layer and polyvinylpyrrolidone/mint sacrificial shell layer
Authors: Hajiali Sepideh , Khajavi Ramin , Kalaee Mohammad Reza , Montazer Majid 
Published: July 2021

AbstractDrinking water quality is considered a continuing concern of human health. Herein, for the improvement of water quality, dual functioning core‐shell (CS) nanofibers were developed by use of polysulfone (PSU)/graphene oxide (GO) as the adsorbent core layer for removing heavy metal ions and polyvinylpyrrolidone (PVP)/mint extract as the shell layer for inducing antioxidant activity to the water. Various analyses on the strip samples before and after the water treatment experiment were performed. ATR‐FTIR by appearing or disappearing chemical bonds, TEM micrographs based on the formation of shell layer around the nanofibers, FESEM according to the uniformity and diameter of nanofibers, and EDX analysis based on the elemental and mapping results, verified the core‐shell structure of nanofibers. The results of the antioxidant activity demonstrated that after the dissolution shell layer, radical scavenging capability of water was improved effectively. Thereafter, the remained core layer had a high capacity and efficiency for the adsorption of metal ions especially for CS3 with 70.9% and 58.7% efficiency for Fe(III) and Ni(II). By achieving 0.975 and 0.568 L/g partition coefficient (PC), the desired performance of CS3 (core layer: 15 wt% PSU, 0.5% GO and shell layer: 5 wt% PVP, and 2.5 wt% mint) was confirmed.
Structure and properties of gel‐spun ultra‐high molecular weight polyethylene fibers obtained from industrial production line
Authors: Yu Lingxiao , Bao Jianna , Wang Gangqiang , Lu Wangyang , Chen Wenxing 
Published: July 2021

AbstractThe structure evolution of commercial fibers with excellent performance is always a hot research topic. In this work, we used samples obtained from different forming stages of industrial production lines with a total draw ratio of 54.5 to explore the structure–property evolution of ultra‐high molecular weight polyethylene (UHMWPE) fibers through a combination of differential scanning calorimetry, wide‐angle X‐ray diffraction, and small angle X‐ray scattering methods. The results showed that the preferential orientation of amorphous molecular chain and the crystallinity increased rapidly in predrawing process, but the mechanical properties were basically unchanged, demonstrating that this stage had little effect on mechanical properties of fibers. At first‐step drawing, the crystallinity and orientation degree increased from 68% to 81% and 0.88 to 0.97, respectively, accompanied by rapid increase in modulus and tensile strength (29.5 to 878.1 cN/dtex and 4.3 to 21.1 cN/dtex, respectively) and the formation of monoclinic phase and fibrillar crystals also happened at this stage. The content of monoclinic phase with tighter structure was increased during the second‐step and third‐step drawing, which were crucial for the continuous improving mechanical properties. In addition, the molecular schematic diagram was proposed to describe structural development of UHMWPE fibers during manufacture process.
Preparation and performance of waterborne polyurethane coatings based on the synergistic flame retardant of ferrocene, phosphorus and nitrogen
Authors: Luo Yaofa , Wang Haoliang , Wang Hui , Jin Linzhao , Du Zongliang , Wang Haibo , Cheng Xu 
Published: July 2021

AbstractA synergistic reactive flame‐retardant polyol (AFeDH) containing ferrocene, phosphorus, and nitrogen elements was synthesized from ferro‐formaldehyde, 5‐amino‐1,3, 4‐thiadiazole‐2‐mercaptan, 9,10‐dihydro‐9‐oxa‐10‐phos‐phaphenanthrene‐10‐oxide and hydroxyl terminated polybutadiene acrylonitrile, and then applied for flame retarding waterborne polyurethane (WPU). The chemical structures of intermediates and final products were well characterized to confirm the successful preparation of ternary P‐N‐Fe flame retardant. The effects of incorporated AFeDH on thermal stability, flame retardancy and mechanical properties of AFeDH/WPU films were systematically studied. The results indicated that LOI value increased with the increase amount of AFeDH, while the value then decreased as the loading content above 6 wt%. This increase in flame retardancy results from the competition between the catalytic degradation of iron and the catalytic carbonization. Benefiting from the good synergistic effects among each element of AFeDH, the WPU/AFeDH films perform the decreased heat release and smoke production. Moreover, the flame retardant films also show the enhanced tensile strength of 33.8 MPa and elongation at break of 763.3%. Therefore, this novel halogen‐free flame retardant shows an excellent synergistic effect among P, N, and Fe elements, which has a great potential in the application of flame retardant WPU.
Innovative Verfahren zur 3‐D‐Bestandsaufnahme an Verkehrswasserbauwerken
Authors: Holste Karsten , Hesse Christian , Neumann Ingo 
Published: July 2021

AbstractUm die Grundlagen für die in diesem Jahrzehnt erforderlichen Bauwerksprüfungs‐, Planungs‐ und Baumaßnahmen für die Infrastruktur im Bereich der Wasserstraßen zu verbessern, wird seit Dezember 2018 das mit Forschungsmitteln des BMVI geförderte Projekt 3D HydroMapper für die Erfassung und Nutzung der 3‐D‐Scandaten von Bestandsbauwerken durchgeführt. Durch 3D HydroMapper sollen neuartige Positionierungs‐ und Routingverfahren in Verbindung mit einer aktiven Objektausrichtung der Sensorik genutzt werden, um BIM‐fähige 3‐D‐Bauwerksdaten zu erzeugen. Erste Ergebnisse zeigen, dass durch die 3‐D‐Aufnahme von Bestandsbauwerken und Baustellen erhebliche Verbesserungen für alle Beteiligten erzielt werden können. Durch die mit einer innovativen Messplattform und einem speziellen Multi‐Sensorsystem aufgenommenen Informationen können den Betreibern, den Planern und den ausführenden Bauunternehmen vollständige, zuverlässige und dreidimensionale Bestandsdaten und die daraus prozessierten Bestandsmodelle zur Verfügung gestellt werden.
Metal‐Free Photoredox‐Catalyzed Hydrodefluorination of Fluoroarenes Utilizing Amide Solvent as Reductant
Authors: Toriumi Naoyuki , Yamashita Kazuya , Iwasawa Nobuharu 
Published: July 2021

AbstractA metal‐free photoredox‐catalyzed hydrodefluorination of fluoroarenes was achieved by using N,N,N’,N’‐tetramethyl‐para‐phenylenediamine (1) as a strong photoreduction catalyst. This reaction was applicable not only to electron‐rich monofluoroarenes but also to polyfluoroarenes to afford non‐fluorinated arenes. The experimental mechanistic studies indicated that the amide solvent NMP plays an important role for regeneration of the photocatalyst, enabling additive‐free photoreduction catalysis.
On the applicability of regular solution and Flory‐Huggins theories to asphaltene liquid mixtures
Authors: Choi Phillip 
Published: July 2021

AbstractWe critically review two classic, molecular‐based solution theories, the regular solution theory and the Flory‐Huggins theory, in the context of revealing their limited applicability to liquid mixtures containing asphaltenes, a significant fraction of crude oil. Asphaltene molecular structures, either as depicted by the Archipelago model or the island model, are non‐linear (not chain‐like) and rigid, making the application of the aforementioned theories to describe their phase behaviour problematic. In addition, since asphaltenes contain chemical moieties that are able to interact through directional dependent specific intermolecular interactions (e.g., hydrogen bonds), this renders the incorporation of Hildebrand solubility parameters into the theories inappropriate. As a result, the two theories do not always predict the onset and amount of asphaltene precipitation correctly for crude oil under different conditions (e.g., temperature, pressure, chemical composition of crude oil, solvent concentration). It is the hope of this author that researchers in the field channel their efforts into developing a brand‐new solution theory for asphaltene liquid mixtures by taking the key molecular attributes of asphaltenes into account.
Evaluation of the effects of the COVID‐19 pandemic on dentistry
Authors: Çelik Osman Evren , Cansever İbrahim Hüseyin 
Published: July 2021

AbstractObjectivesThe aim of this study is to evaluate dentists' working conditions and the policies implemented for dentistry during the COVID‐19 pandemic. In addition, effects of working in private practice or governmental practice in terms of pandemic are also evaluated in the manuscript.MethodsA questionnaire was prepared to elicit dentists' working conditions during the pandemic and analyze and evaluate the policies implemented for dentistry. The questionnaires were sent to the dentists registered in the Turkish Dental Association (TDA) via e‐mail, and collected between September 30, 2020, and October 20, 2020. Descriptive statistical methods, validity and reliability analysis, and regression analysis were applied for data analysis.ResultsSeven hundred thirty‐four dentists registered in the Turkish Dental Association took part in the study. 47% of respondents examined five or fewer patients per day during the pandemic. Dentists working in private practice examine more patients per day during the pandemic. 80.8% of the respondents experienced anxiety while examining patients during the pandemic. While the dentist's anxiety level increased with increasing the number of patients examined per day (β: 0.399), it decreased with increasing the dentist's age (β: −0.065). Respondents were not satisfied with the pandemic's management, with the decisions taken regarding dentistry, and with the supports provided to the dentists. 85.8% of the respondents were concerned about their professional future, which is higher among dentists who work in governmental practice (p < 0.05, ANOVA).ConclusionsIncreasing dentists' representation in the management of the pandemic and the future policy‐making process, taking steps for the future by creating planning processes will eliminate the uncertainties and dissatisfaction and ensure to be ready for new pandemics.
Lightweight and fine‐grained access control for cloud–fog‐based electronic medical record sharing systems
Authors: Zhang Aiqing , Wang Xiao , Ye Xinrong , Xie Xiaojuan 
Published: July 2021

SummaryThe electronic medical record (EMR) sharing systems promote medical services' efficiency, save human resources, and reduce energy consumption. A number of patients are ready to store their medical records in cloud. Nevertheless, owing to the medical record's privacy sensitivity, security problems are of critical importance in EMR sharing systems. This work presents a lightweight and fine‐grained access control with data security for EMR sharing by combining fog and cloud using symmetric encryption algorithm and attribute‐based encryption algorithm. Data owners encrypt the medical records with symmetric encryption and store them in cloud. The symmetric key is protected by ciphertext‐policy attribute‐based encryption and stored in fog. The keyword extracted from medical record is encrypted by data owner with key‐policy attribute‐based keyword search encryption and sent to fog. The requesters who satisfy with the keyword ciphertext's access policy can search for the keyword. They are capable of accessing the symmetric key if their attributes satisfy with the symmetric key ciphertext's access policy. The key management method and access control scheme guarantee the medical record's security and privacy. Security analysis demonstrates that our work is able to achieve privacy protection, secure search, fine‐grained access control, and collusion resistance.
Intraspecific differences in metabolic rates shape carbon stable isotope trophic discrimination factors of muscle tissue in the common teleost Eurasian perch (Perca fluviatilis)
Authors: Scharnweber Kristin , Andersson Matilda L. , Chaguaceda Fernando , Eklöv Peter 
Published: July 2021

Abstract

Stable isotopes represent a unique approach to provide insights into the ecology of organisms. δ13C and δ15N have specifically been used to obtain information on the trophic ecology and food‐web interactions. Trophic discrimination factors (TDF, Δ13C and Δ15N) describe the isotopic fractionation occurring from diet to consumer tissue, and these factors are critical for obtaining precise estimates within any application of δ13C and δ15N values. It is widely acknowledged that metabolism influences TDF, being responsible for different TDF between tissues of variable metabolic activity (e.g., liver vs. muscle tissue) or species body size (small vs. large). However, the connection between the variation of metabolism occurring within a single species during its ontogeny and TDF has rarely been considered.

Here, we conducted a 9‐month feeding experiment to report Δ13C and Δ15N of muscle and liver tissues for several weight classes of Eurasian perch (Perca fluviatilis), a widespread teleost often studied using stable isotopes, but without established TDF for feeding on a natural diet. In addition, we assessed the relationship between the standard metabolic rate (SMR) and TDF by measuring the oxygen consumption of the individuals.

Our results showed a significant negative relationship of SMR with Δ13C, and a significant positive relationship of SMR with Δ15N of muscle tissue, but not with TDF of liver tissue. SMR varies inversely with size, which translated into a significantly different TDF of muscle tissue between size classes.

In summary, our results emphasize the role of metabolism in shaping‐specific TDF (i.e., Δ13C and Δ15N of muscle tissue) and especially highlight the substantial differences between individuals of different ontogenetic stages within a species. Our findings thus have direct implications for the use of stable isotope data and the applications of stable isotopes in food‐web studies.