bluuebunny/crossref_metadata_2025_split huggingface dataset:
Proteomic and electron microscopy study of myogenic differentiation of alveolar mucosa multipotent mesenchymal stromal cells in three‐dimensional culture
Authors: Saburina Irina N. , Kosheleva Nastasia V. , Kopylov Arthur T. , Lipina Tatiana V. , Krasina Marina E. , Zurina Irina M. , Gorkun Anastasiya A. , Girina Svetlana S. , Pulin Andrey A. , Kaysheva Anna L. , Morozov Sergey G. 
Published: October 2021

AbstractMyocyte differentiation is featured by adaptation processes, including mitochondria repopulation and cytoskeleton re‐organization. The difference between monolayer and spheroid cultured cells at the proteomic level is uncertain. We cultivated alveolar mucosa multipotent mesenchymal stromal cells in spheroids in a myogenic way for the proper conditioning of ECM architecture and cell morphology, which induced spontaneous myogenic differentiation of cells within spheroids. Electron microscopy analysis was used for the morphometry of mitochondria biogenesis, and proteomic was used complementary to unveil events underlying differences between two‐dimensional/three‐dimensional myoblasts differentiation. The prevalence of elongated mitochondria with an average area of 0.097 μm2 was attributed to monolayer cells 7 days after the passage. The population of small mitochondria with a round shape and area of 0.049 μm2 (p < 0.05) was observed in spheroid cells cultured under three‐dimensional conditions. Cells in spheroids were quantitatively enriched in proteins of mitochondria biogenesis (DNM1L, IDH2, SSBP1), respiratory chain (ACO2, ATP5I, COX5A), extracellular proteins (COL12A1, COL6A1, COL6A2), and cytoskeleton (MYL6, MYL12B, MYH10). Most of the Rab‐related transducers were inhibited in spheroid culture. The proteomic assay demonstrated delicate mechanisms of mitochondria autophagy and repopulation, cytoskeleton assembling, and biogenesis. Differences in the ultrastructure of mitochondria indicate active biogenesis under three‐dimensional conditions.
Antibiotic use and associated factors in adult outpatients from 2000 to 2019
Authors: Franchi Carlotta , Mandelli Sara , Fortino Ida , Nobili Alessandro 
Published: October 2021

AbstractThe aims of the study were to assess the changes in 19‐years use of antibiotics (overall, by age, sex and geographical area) and of those classes deemed to be quality indicators for their consumption and to evaluate factors associated to antibiotic use. We analyzed drug prescription data collected in the administrative database of the Lombardy Region (Northern Italy) for outpatients aged 40+ years from 2000 to 2019. Logistic regression analyses were performed to evaluate the association between receiving at least one antibiotic prescription and year of observation, gender, age groups, area of residence, polypharmacy and hospitalizations in the index year. The prevalence of patients prescribed with antibiotics remained high from 2000 (33.8%) to 2019 (32.6%). Prevalence of use of second‐line choice antibiotics (penicillin combinations with beta‐lactamase inhibitors, third and fourth generation cephalosporins, macrolides) continued to increase, only fluoroquinolones decreased in 2019 (19%) comparing to 2018 (26%), at the time when the Italian Medicines Agency promulgated safety warnings. Females (OR 1.28, 95%CI 1.27–1.28), people living in Brescia (OR 1.24, 95%CI 1.24–1.25), those exposed to polypharmacy (OR 2.57, 95%CI 2.56–2.57) and those hospitalized 1 to 3 (OR 1.86, 95%CI 1.85–1.86) or more than 3 (OR 2.02, 95%CI 2.01–2.03) times a year had a statistically significant higher risk of receiving antibiotics. The high use of antibiotics over the study period further reinforces the need of impactful interventions, in order to improve the rational use of antibiotics and to reduce the risks of antimicrobial resistance. The differences outlined should be considered when monitoring and planning these interventions.
The oriented swap process and last passage percolation
Authors: Bisi Elia , Cunden Fabio Deelan , Gibbons Shane , Romik Dan 
Published: October 2021

AbstractWe present new probabilistic and combinatorial identities relating three random processes: the oriented swap process (OSP) on n particles, the corner growth process, and the last passage percolation (LPP) model. We prove one of the probabilistic identities, relating a random vector of LPP times to its dual, using the duality between the Robinson–Schensted–Knuth and Burge correspondences. A second probabilistic identity, relating those two vectors to a vector of “last swap times” in the OSP, is conjectural. We give a computer‐assisted proof of this identity for after first reformulating it as a purely combinatorial identity, and discuss its relation to the Edelman–Greene correspondence. The conjectural identity provides precise finite‐n and asymptotic predictions on the distribution of the absorbing time of the OSP, thus conditionally solving an open problem posed by Angel, Holroyd, and Romik.
Microwave‐Assisted Production of 5‐Hydroxymethylfurfural from Glucose
Authors: Mason Jameson Brett , Sun Yujie 
Published: October 2021

AbstractAmong many biomass‐derived intermediate compounds, 5‐hydroxymethylfurfural (HMF) has been regarded as a platform chemical because it can be used to produce numerous valuable products. However, the difficulty of HMF isolation from reaction media coupled with its poor stability have significantly inhibited its large‐scale production and application. In this work, we report a single‐step process for the direct production of HMF from glucose using green chemical methods. Optimized glucose isomerization and dehydration under microwave irradiation achieved a respectable HMF yield (70 %) using a biphasic solvent mixture (water/THF), high glucose concentration (30 % w/v), catalytic amounts of AlCl3 (5 mol%) and HCl (15 mol%). The reaction can be completed within minutes at 165 °C. Overall, our microwave‐assisted strategy enables the direct conversion of commercially available glucose to the highly valuable platform chemical HMF without the use of expensive solvents or catalysts, suggesting an economically attractive approach for upgrading carbohydrates.
A Flexible Asymmetric NaFePO4/Carbon Cloth Supercapacitor Using Crosslinked Polyacrylate Gel as Electrolyte
Authors: Quan Yufei , Wang Sumin , Liu Pan , Shen Zhiruo , Wang Qiguan 
Published: October 2021

AbstractWith the development of light‐weight and bendable electric devices, nowdays, solid‐state supercapacitive devices have attracted great attention, in which the classic polymeric electrolytes such as polyvinyl alcohol and polyethylene oxide copolymers are generally used. However, the microphase separation in these polymers and low conductivity affect the ions transfer and the energy‐storage performance. In this work, a crosslinked sodium polyacrylate gel (NaPA) is synthesized to replace conventional polymeric electrolyte. Because NaPA is a kind of polymeric salt which has high native degree of ionization in water, the NaPA gel shows low resistance to ion transportation. By using NaPA gel as the electrolyte and carbon cloth as current collector, a flexible solid asymmetric supercapacitor assembled by positive NaFePO4/carbon cloth and negative activated carbon/carbon cloth electrode shows the maximum capacitance of 46.33 mF cm−2 at 1 mA cm−2, with a high stability of 87.33 % retention during 5000 charge and discharge cycles. Moreover, this flexible asymmetric supercapacitors showed nearly unchanged capacitance under different bending angles. It is found that the Na+ diffusion coefficient in NaFePO4/CC//NaPA supercapacitor is 8.05×10−14 cm2 ⋅ s, remarkable higher than CC//NaPA and NaFePO4/CC//PVA. The high diffusion coefficient and low resistance of NaPA lead to excellent capacitave performance of NaFePO4/CC//NaPA, delivering a good application prospect.
Catechol‐ and Phenol‐Containing Thio‐Schiff Bases: Synthesis, Electrochemical Properties and Biological Evaluation
Authors: Smolyaninov Ivan V. , Burmistrova Daria A. , Arsenyev Maxim V. , Almyasheva Nailya R. , Ivanova Ekaterina S. , Smolyaninova Susanna A. , Pashchenko Konstantin P. , Poddel'sky Andrey I. , Berberova Nadezhda T. 
Published: October 2021

AbstractA number of novel catechol‐ and phenol‐containing Schiff bases with thiophenol or mercaptobenzimidazole groups have been synthesized. Electrochemical studies of the target compounds were carried out in order to establish the primary centres involved in redox reactions, and the mechanism of oxidative transformations. The antioxidant activities of the compounds were determined using different assays. Compounds combining the catechol group with the mercaptobenzimidazole or benzothiazoline cycles exhibit more pronounced antioxidant activity in the concerning tests. However, a significant promoting effect on the process of lipid peroxidation of rat brain homogenates was found in the presence of catechols. Antibacterial and cytotoxic effects of Schiff bases can be caused by the possibility of ROS and o‐benzoquinones generation. It was established that some compounds have a moderate bacteriostatic effect against Staphylococcus aureus strains. Schiff bases with catechol and heterocyclic groups exhibit a good antiproliferative activity (IC50<10 μM) towards MCF‐7, HTC‐116 and A549 cell lines.
Fabrication of Highly Catalytically Active Gold Nanostructures on Filter‐Paper and Their Applications towards Degradation of Environmental Pollutants
Authors: Khan Ghazanfar Ali , Esentürk Emren Nalbant , Bek Alpan , Bhatti Arshad Saleem , Ahmed Waqqar 
Published: October 2021

AbstractSupported metallic nanoparticles (NPs) have recently become a promising candidate for the degradation of environmental pollutants. In this work, we report the fabrication of highly catalytically active, surfactant‐free interconnected Au nanostructures directly on filter paper. The width of nanostructures is only a few nanometers and they contain high concentration of low‐coordination atoms. Our approach involves the immersion and evaporation of Au precursor solution on the filter paper and its subsequent reduction. This approach generates filter paper‐based gold substrates (FPGS) not only in a simple and straightforward fashion that can be executed in a matter of minutes but can also be easily scaled up for large‐scale production. Owing to their surfactant‐free nature, FPGS are well suited for the degradation of both cationic and anionic dyes by providing large unhindered surface for dye adsorption. The FPGS were able to completely degrade methyl orange (MO) and methylene blue (MB) dyes and also showed excellent reusability and stability.
Ethylene Hydroformylation with Carbon Dioxide Catalyzed by Ruthenium Supported on Titanate Nanotubes: Infrared Spectroscopic Evidence of Surface Species
Authors: Chavez‐Mulsa Alejandra , Fierro‐Gonzalez Juan C. , Handy Brent E. , Santos‐López Iván Alonso , Jimenez‐Lam Sergio Aarón , De Haro Del Río David A. , De la Rosa Javier Rivera , Flores‐Escamilla Gerardo Antonio 
Published: October 2021

AbstractRu nanoparticles supported on titanate nanotubes (Ru/TiNT) were catalytically active in the ethylene hydroformylation using CO2 as reactant (at atmospheric pressure and moderate temperatures) to give propanal and ethane. The rate of propanal formation at 100 °C with a molar feed ratio of 1 : 1 : 1 : 8 (CO2 : C2H4 : H2 : Ar) was 0.128 molpropanal molRu−1 h−1. Raman spectra and X‐ray diffraction data characterizing the catalyst confirmed the presence of the crystalline structure of Na2Ti3O7 for TiNT, whereas transmission electron microscopy (TEM) images evidenced its tubular morphology and the presence of finely dispersed Ru nanoparticles with an average diameter of 0.8 nm. Infrared spectra measured under reaction conditions allowed the identification of surface species that participate in the catalysis, namely CO bonded to the Ru nanoparticles, Ru‐ethyl and Ru‐acyl species and adsorbed propanal. The data show that conversion of CO2 to CO was crucial for the formation of the Ru‐acyl species, regarded as a key reaction intermediate to give propanal.
Supramolecular Catalyst Functions in Catalytic Amount: Cucurbit[7]uril Accelerates Click Reaction in Water
Authors: Feng Xuepu , Zhao Fen , Qian Rui , Guo Mengbi , Yang Jing , Yang Rui , Meng DongLing 
Published: October 2021

AbstractMacrocycles have garnered significant interest for their potential utility as supramolecular catalysts in modulating chemical transformations. Here, we report a reusable supramolecular catalytic system to accelerate copper(I) catalyzed Click cycloaddition (CuAAC) reactions in water. Our system comprises of 5 mol % CuI and 0.5 mol % of the supramolecular co‐catalyst, cucurbit[7]uril (CB7), which stabilizes and prevents the oxidation of CuI. This catalysis can be cycled is that the triazole product or alkyne reactant hardly bind in the cavity of CB7 while there is an interaction between azide reactant and CB7 through molecular recognition. The dual catalysts can be facilely separated from the reaction system. As a result, the catalyst system can be recycled and reused for more than 10 consecutive cycles while maintaining high catalytic activity.
Unveiling the Substituent Effects in the Stereochemistry of [3+2] Cycloaddition Reactions of Aryl‐ and Alkyldiazomethylphosphonates with Norbornadiene within a MEDT Perspective
Authors: Domingo Luis R , Acharjee Nivedita 
Published: October 2021

AbstractThe [3+2] cycloaddition (32CA) reactions of norbornadiene with aryl and alkyl substituted diazomethylphosphonates (SDAPs) have been studied within the molecular electron density theory (MEDT). Electron localization function (ELF) shows the presence of apseudoradicalC3 center at the alkyl SDAPs, classifying them aspseudo(mono)radicalspecies, while the aryl SDAP is classified as a zwitterionic one, owing to the delocalization of the C3 electron density on the C3‐P bond. These 32CA reactions present high activation enthalpies in dichloromethane, between 17.3 and 21.6 kcal mol−1, being strongly exothermic by more than 33.8 kcal mol−1. While these 32CA reactions present a totalsynfacial selectivity, theendo/exostereoselectivity depends on the steric hindrance caused by the bulk substituents present in these SDAPs along the approach to norbornadiene. Interestingly the phenyl group provokes a lesser hindrance than that of the small methyl group, justifying the 95 % ofexostereoselectivity experimentally observed. ELF and the AIM (Atoms‐in‐Molecules) analyses account for the bonding changes along these 32CA reactions. The energy cost for the rupture of the norbornadiene C−C and that of the SDAPs N−N double bonds are the major contributors to the activation energies of these non‐polar 32CA reactions.
Synthesis of 2′‐Deoxy‐2′‐fluoro‐L‐cytidine and Fluorinated L‐Nucleic Acids for Structural Studies
Authors: Dantsu Yuliya , Zhang Ying , Zhang Wen 
Published: October 2021

AbstractThe unique properties of fluorine atom on nucleic acid backbone can offer stricking functional and structural features. In order to extend the biological applications of L‐type nucleic acid, we chemically incorporate the fluoro‐modification into 2′‐position of L‐cytidine, and obtain a series of fluoro‐modified L‐DNAs/ L‐RNAs. Our melting study indicates that the 2′‐fluoro‐modification does not disrupt the thermostabilities of wild‐type L‐nucleic acids. Consistently, our X‐ray crystal structure reveals that fluoro‐moiety cause no structural perturbation, and the fluoro‐L‐cytidine forms the Watson‐Crick base pair with L‐guanosine virtually identical to nonmodified L‐type CG pair. This fluoro‐modified cytidine provides a useful biochemical strategy to investigate L‐nucleic acid as advanced molecular therapy.
On the Interaction of Surfactants with Gallium‐Based Liquid Metals
Authors: Handschuh‐Wang Stephan , Rauf Muhammad , Gan Tiansheng , Shang Wenhui , Zhou Xuechang 
Published: October 2021

AbstractLiquid metals have aroused interest in the scientific communities of electronics, engineering and biomedicine. In particular, the stabilization of liquid metal nanodroplets by surfactants and macromolecules has been investigated in the past extensively. Herein, we investigate the change in interfacial tension of the liquid metal Galinstan in contact with aqueous electrolytes upon addition of surfactants in aqueous solutions. We show that is governed by the chemical environment, the structure of the electric double layer (EDL) and the surfactant charge. In most environments a critical micelle concentration (CMC) can be determined, the value of which is in favorable agreement with literature values. Furthermore, based on the selective adsorption of the surfactant, the structure of the EDL is predicted and discussed, and the adsorption of surfactants is employed to mitigate liquid metal droplet coalescence. In this regard, the data suggests that the packing parameter, change in IFT upon surfactant addition and charge density of EDL are the main contributors for liquid metal droplet stability.
Synthesis of Dumbbell‐Like DBATT Dimers**
Authors: Feofanov Mikhail , Lungerich Dominik , Akhmetov Vladimir , Amsharov Konstantin 
Published: October 2021

AbstractTwo‐dimensional acenes are promising candidates for applications in single‐molecule spectroscopy due to the electronic properties caused by their zig‐zag periphery. However, synthetic access to their dimers remains unexplored because of low solubility and reduced stability. Herein we report a facile approach towards two‐dimensional acenes dimers on the example of 2.3,8.9‐dibenzanthanthrene (DBATT) connected via rigid linker. The exploitation of dehydrative π‐extension on the last step of the synthesis allows avoiding difficulties connected with cumbersome purification of low soluble products. The technique was shown to be applicable for the synthesis of DBATT dimers connected rigidly with conjugated and non‐conjugated linkers, containing alternating para‐phenylene and bicyclo[2.2.2]octane moieties.
Highly Poison‐Resistant Single‐Atom Co–N4 Active Sites with Superior Operational Stability over 460 h for H2S Catalytic Oxidation
Authors: Lei Ganchang , Tong Yawen , Shen Lijuan , Zheng Yong , Liang Shijing , Lin Wei , Liu Fujian , Cao Yanning , Xiao Yihong , Jiang Lilong 
Published: October 2021

AbstractEfficient catalytic elimination of hydrogen sulfide (H2S) with high activity and durability in nature gas and blast‐furnace gas is very critical for both fundamental catalytic research and applied environmental chemistry. Herein, atomically dispersed Co atom catalysts with Co–N4 sites that can transform H2S into S with conversion rate of ≈100% are designed and prepared. The representative 4Co‐N/NC achieves a sulfur yield of nearly 100% and TOF(Co) of 869 h–1 at 180 °C. Importantly, remarkable long‐term durability is achieved as well, with no obvious loss of catalytic activity in the run of 460 h, outperforming most of the reported catalysts. The short bond length and strong cooperation of Co–N are beneficial to improve the structural stability of the Co–N4 centers, and significantly enhanced resistance of water and sulfation over single‐atom Co‐catalyst. The present mechanism involves the stepwise hydrogen transfer process via the adsorbed *HOO and *HS intermediates.
Generation of logic designs for efficiently solving ordinary differential equations on field programmable gate arrays
Authors: Bartel Silas , Korch Matthias 
Published: October 2021

AbstractOrdinary differential equations can be used to describe simulation models. As such, solving these equations is an important task in the high performance computing (HPC) domain. Field programmable gate arrays (FPGAs) are a promising platform, expected to be usable as efficient accelerators for such computations. While the use of hardware description languages (HDLs) can produce very efficient logic designs, their unique concept is hard to adopt for scientists and software engineers. High‐level synthesis (HLS) tools promise faster development, but bear the risk of lower performance and increased resource consumption of the final design. But even when using HLS tools the user still requires specialized knowledge about FPGAs and circuit design. In order to reach a wide adoption of FPGAs in HPC applications, a need for simple to use tools which enable performant designs was identified. This article proposes a framework that is able to automatically generate specific and optimized solver logic from easy to handle configuration files. No manual development, nor special FPGA or programming knowledge is required. To measure the capability of the proposed tool, the performance was evaluated for different solver methods and compared with an alternative hand optimized HLS implementation. The logic generated by this improved approach is up to 43 times faster than its hand optimized HLS counterpart, depending on the solution method.
Dauerhaftigkeit und Robustheit von Schraubenverbindungen bei Kranbahnträgern
Authors: Misiek Thomas , Götz Frank , Volz Michael 
Published: October 2021

AbstractDer Beitrag behandelt ausgewählte Themen im Zusammenhang mit Schraubenverbindungen bei Kranbahnträgern. Eingangs wird auf das Verhalten der Verbindung beim Anziehen und unter äußerer Beanspruchung eingegangen. Die Bedeutung der Vorspannkraft für die Schraubenverbindung wird diskutiert. Die Vorspannkraftverlusten zugrunde liegenden Mechanismen sowie diesen entgegenwirkende Sicherungsmaßnahmen werden vorgestellt. Im Anschluss werden diese Sicherungsmaßnahmen in kranbahntypischen Schraubenverbindungen beschrieben. Den Abschluss bilden Überlegungen zur Überprüfung der Verbindungen im Zusammenhang mit der Montage und dem Betrieb der Krananlage.
Scissor‐Shaped Photochromic Dyads: Hierarchical Self‐Assembly and Photoresponsive Property
Authors: Tashiro Keigo , Saito Takuho , Arima Hironari , Suda Natsuki , Vedhanarayanan Balaraman , Yagai Shiki 
Published: October 2021

AbstractUnique relationships between hierarchically organized biological nanostructures and functions have motivated chemists to construct sophisticated artificial nanostructured systems from small and simple synthetic molecules through self‐assembly. As one of such sophisticated systems, we have investigated scissor‐shaped photochromic dyads that can hierarchically self‐assemble into discrete nanostructures showing photoresponsive properties. We synthesized various azobenzene dyads and found that these dyads adopt intramolecularly folded conformation like a closed scissor, and then self‐assemble into toroidal nanostructures by generating curvature. The toroids further organize into nanotubes and further into helical supramolecular fibers depending on the nature of alkyl substituents. All of these nanostructures can be dissociated and reorganized through the photoisomerization of azobenzene units. On the other hand, the introduction of stilbene chromophores instead of azobenzenes leads to one‐dimensional supramolecular polymerization, which upon the intramolecular photocyclization of stilbene chromophores shifts to curved self‐assembly leading to helicoidal fibers with distinct supramolecular chirality.