bluuebunny/crossref_metadata_2025 huggingface dataset:
Monitoring Air Quality with Transplanted Bryophytes in a Neotropical Andean City
Authors: Benítez Ángel , Armijos Lizbeth , Calva James
Published: August 2021

Air pollution is one of the main global environmental problems, where bryophytes, due to their high capacity to retain metals and other pollutants, have been widely used in active air quality monitoring studies in temperate and tropical zones. Thus, in this study, we analyzed for the first time the concentrations of eight metals (cadmium, copper, nickel, aluminum, iron, manganese, lead and zinc) in three species of transplanted mosses (Rhacocarpus purpurascens (Brid.) Paris, Sphagnum sp. and Thuidium delicatulum (Hedw.) Schimp.) from Ecuador. Significant differences were found for the three species in the concentrations of Al, Mn, Fe and Zn between urban and control areas, pointing to the Central zone as the main source of contamination with the highest concentrations of Al, Fe, Mn and Zn, related to vehicular traffic. Lead did not differ between zones for Rhacocarpus purpurascens and Sphagnum sp.; however, Thuidium delicatulum accumulated different concentrations between urban areas and the control areas. The three species of mosses provided valuable information on the contamination of Al, Fe, Mn, Pb and Zn in the urban area of the city of Loja, and therefore can be used in future air quality monitoring programs over time in tropical cities.
Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions
Authors: Catalini Sara , Rossi Barbara , Tortora Mariagrazia , Foggi Paolo , Gessini Alessandro , Masciovecchio Claudio , Bruni Fabio
Published: August 2021

The hydrogen bonding of water and water/salt mixtures around the proline-based tripeptide model glycyl-l-prolyl-glycinamide·HCl (GPG-NH2) is investigated here by multi-wavelength UV resonance Raman spectroscopy (UVRR) to clarify the role of ion–peptide interactions in affecting the conformational stability of this peptide. The unique sensitivity and selectivity of the UVRR technique allow us to efficiently probe the hydrogen bond interaction between water molecules and proline residues in different solvation conditions, along with its influence on trans to cis isomerism in the hydrated tripeptide. The spectroscopic data suggest a relevant role played by the cations in altering the solvation shell at the carbonyl site of proline., while the fluoride and chloride anions were found to promote the establishment of the strongest interactions on the C=O site of proline. This latter effect is reflected in the greater stabilization of the trans conformers of the tripeptide in the presence of these specific ions. The molecular view provided by UVRR experiments was complemented by the results of circular dichroism (CD) measurements that show a strong structural stabilizing effect on the β-turn motif of GPG-NH2 observed in the presence of KF as a co-solute.
3D Printing of Fiber-Reinforced Plastic Composites Using Fused Deposition Modeling: A Status Review
Authors: Pervaiz Salman , Qureshi Taimur Ali , Kashwani Ghanim , Kannan Sathish
Published: August 2021

Composite materials are a combination of two or more types of materials used to enhance the mechanical and structural properties of engineering products. When fibers are mixed in the polymeric matrix, the composite material is known as fiber-reinforced polymer (FRP). FRP materials are widely used in structural applications related to defense, automotive, aerospace, and sports-based industries. These materials are used in producing lightweight components with high tensile strength and rigidity. The fiber component in fiber-reinforced polymers provides the desired strength-to-weight ratio; however, the polymer portion costs less, and the process of making the matrix is quite straightforward. There is a high demand in industrial sectors, such as defense and military, aerospace, automotive, biomedical and sports, to manufacture these fiber-reinforced polymers using 3D printing and additive manufacturing technologies. FRP composites are used in diversified applications such as military vehicles, shelters, war fighting safety equipment, fighter aircrafts, naval ships, and submarine structures. Techniques to fabricate composite materials, degrade the weight-to-strength ratio and the tensile strength of the components, and they can play a critical role towards the service life of the components. Fused deposition modeling (FDM) is a technique for 3D printing that allows layered fabrication of parts using thermoplastic composites. Complex shape and geometry with enhanced mechanical properties can be obtained using this technique. This paper highlights the limitations in the development of FRPs and challenges associated with their mechanical properties. The future prospects of carbon fiber (CF) and polymeric matrixes are also mentioned in this study. The study also highlights different areas requiring further investigation in FDM-assisted 3D printing. The available literature on FRP composites is focused only on describing the properties of the product and the potential applications for it. It has been observed that scientific knowledge has gaps when it comes to predicting the performance of FRP composite parts fabricated under 3D printing (FDM) techniques. The mechanical properties of 3D-printed FRPs were studied so that a correlation between the 3D printing method could be established. This review paper will be helpful for researchers, scientists, manufacturers, etc., working in the area of FDM-assisted 3D printing of FRPs.
Kinetic Monte Carlo Simulation of Clustering in an Al-Mg-Si-Cu Alloy
Authors: Ye Qilu , Wu Jianxin , Zhao Jiqing , Yang Gang , Yang Bin
Published: August 2021

The mechanism of the clustering in Al-Mg-Si-Cu alloys has been a long-standing controversial issue. Here, for the first time, the mechanism of the clustering in the alloy was investigated by a Kinetic Monte Carlo (KMC) approach. In addition, reversion aging (RA) was carried out to evaluate the simulation results. The results showed that many small-size clusters formed rapidly in the early stages of aging. With the prolongation of aging time, the clusters merged and grew. The small clusters formed at the beginning of aging in Al-Mg-Si-Cu alloy were caused by initial vacancies (quenching vacancies). The merging and decomposition of the clusters were mainly caused by the capturing of vacancies, and the clusters had a probability to decompose before reaching a stable size. After repeated merging and decomposition, the clusters reach stability. During RA, the complex interaction between the cluster merging and decomposition leaded to the partial irregular change of the hardness reduction and activation energy.
Ru Catalyst Encapsulated into the Pores of MIL-101 MOF: Direct Visualization by TEM
Authors: Meledina Maria , Watson Geert , Meledin Alexander , Van Der Voort Pascal , Mayer Joachim , Leus Karen
Published: August 2021

Ru catalyst nanoparticles were encapsulated into the pores of a Cr-based metal-organic framework (MOF)—MIL-101. The obtained material, as well as the non-loaded MIL-101, were investigated down to the atomic scale by annular dark-field scanning transmission electron microscopy using low dose conditions and fast image acquisition. The results directly show that the used wet chemistry loading approach is well-fitted for the accurate embedding of the individual catalyst nanoparticles into the cages of the MIL-101. The MIL-101 host material remains crystalline after the loading procedure, and the encapsulated Ru nanoparticles have a metallic nature. Annular dark field scanning transmission electron microscopy, combined with EDX mapping, is a perfect tool to directly characterize both the embedded nanoparticles and the loaded nanoscale MOFs. The resulting nanostructure of the material is promising because the Ru nanoparticles hosted in the MIL-101 pores are prevented from agglomeration—the stability and lifetime of the catalyst could be improved.
Electrophoretically Deposited Chitosan/Eudragit E 100/AgNPs Composite Coatings on Titanium Substrate as a Silver Release System
Authors: Pawłowski Łukasz , Bartmański Michał , Mielewczyk-Gryń Aleksandra , Cieślik Bartłomiej Michał , Gajowiec Grzegorz , Zieliński Andrzej
Published: August 2021

Due to the possibility of bacterial infections occurring around peri-implant tissues, it is necessary to provide implant coatings that release antibacterial substances. The scientific goal of this paper was to produce by electrophoretic deposition (EPD) a smart, chitosan/Eudragit E 100/silver nanoparticles (chit/EE100/AgNPs) composite coating on the surface of titanium grade 2 using different deposition parameters, such as the content of AgNPs, applied voltage, and time of deposition. The morphology, surface roughness, thickness, chemical and phase composition, wettability, mechanical properties, electrochemical properties, and silver release rate at different pH were investigated. Using lower values of deposition parameters, coatings with more homogeneous morphology were obtained. The prepared coatings were sensitive to the reduced pH environment.
Growth and Investigation of Annealing Effects on Ternary Cd1−xMgxO Nanocomposit Thin Films
Authors: Bashir Khalid , Mehboob Nasir , Ashraf Muhammad , Zaman Abid , Sultana Fozia , Khan Abdul Faheem , Ali Asad , Mushtaq Muhammad , Uddin Sarir , Althubeiti Khaled
Published: August 2021

Thin films of Cd1−xMgxO (CdMgO) (0 ≤ x ≤ 1) were investigated by depositing the films on glass substrates using the co-evaporation technique. The structural, surface morphological, optical, and electrical characteristics of these films were studied as a function of Mg content after annealing at 350 °C. The XRD analysis showed that the deposited films had an amorphous nature. The grain size of the films reduced as the Mg concentration increased, as evidenced by the surface morphology, and EDAX supported the existence of Mg content. It was observed that as the films were annealed, the transmittance of the CdMgO films saw an increase of up to 85%. The blue shift of the absorption edge was observed by the increase of Mg content, which was useful for enhancing the efficiency of solar cells. The optical band gap increased from 2.45 to 6.02 eV as the Mg content increased. With increased Mg content, the refractive index reduced from 2.49 to 1.735, and electrical resistivity increased from 535 Ω cm to 1.57 × 106 Ω cm.
Optical Microscopy Observations and Construction of Dupin Cyclides at the Isotropic/Smectic A Phase Transition
Authors: Halaby Macary Mikhael , Damême Gauthier , Gibek Antoine , Dubuffet Valentin , Dupuy Benoît , Picart Justin , Dimeni Roll Freddy , Meyer Claire
Published: August 2021

In this work, we are interested in the nucleation of bâtonnets at the Isotropic/Smectic A phase transition of 10CB liquid crystal. Very often, these bâtonnets are decorated with a large number of focal conics. We present here an example of a bâtonnet obtained by optical crossed polarized microscopy in a frequently observed particular area of the sample. This bâtonnet presents bulges and one of them consists of a tessellation of ellipses. These ellipses are two by two tangent, one to each other, and their confocal hyperbolas merge at the apex of the bâtonnet. We propose a numerical simulation with Python software to reproduce this tiling of ellipses as well as the shape of the smectic layers taking the well-known shape of Dupin cyclides within this particular bâtonnet area.
Technological, Microstructural and Strength Aspects of Welding and Post-Weld Heat Treatment of Martensitic, Wear-Resistant Hardox 600 Steel
Authors: Konat Łukasz
Published: August 2021

The study presents technological and structural aspects of production and heat treatment of welded joints of high-strength, abrasion-resistant Hardox 600 steel. As a result of the conducted research, it was found that the use of welding processes for joining this steel leads to the formation of a wide heat-affected zone, characterized by various structures favoring the reduction of abrasion resistance and deterioration of plastic properties, while increasing the susceptibility to brittle fracture. On the basis of the structural and strength characteristics, an effective welding technology for Hardox 600 steel was proposed, as well as the conditions and parameters of post-welding heat treatment, leading to obtaining structures close to a base material in the entire area of the welded joint. Despite the limited high-carbon equivalent CEV of the metallurgical weldability of the tested steel, the tests carried out in laboratory conditions allowed researchers to obtain welded joints characterized by very high strength indexes, corresponding to the base material, while maintaining satisfactory plastic and impact properties.
Simulating Static and Dynamic Properties of Magnetic Molecules with Prototype Quantum Computers
Authors: Crippa Luca , Tacchino Francesco , Chizzini Mario , Aita Antonello , Grossi Michele , Chiesa Alessandro , Santini Paolo , Tavernelli Ivano , Carretta Stefano
Published: August 2021

Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As such, simulating their static and dynamical behavior is intrinsically difficult for a classical computer, due to the exponential increase of required resources with the system size. Quantum computers solve this issue by providing an inherently quantum platform, suited to describe these magnetic systems. Here, we show that both the ground state properties and the spin dynamics of magnetic molecules can be simulated on prototype quantum computers, based on superconducting qubits. In particular, we study small-size anti-ferromagnetic spin chains and rings, which are ideal test-beds for these pioneering devices. We use the variational quantum eigensolver algorithm to determine the ground state wave-function with targeted ansatzes fulfilling the spin symmetries of the investigated models. The coherent spin dynamics are simulated by computing dynamical correlation functions, an essential ingredient to extract many experimentally accessible properties, such as the inelastic neutron cross-section.
Hierarchically Assembled Type I Collagen Fibres as Biomimetic Building Blocks of Biomedical Membranes
Authors: Yin Jie , Wood David J. , Russell Stephen J. , Tronci Giuseppe
Published: August 2021

Wet spinning is an established fibre manufacturing route to realise collagen fibres with preserved triple helix architecture and cell acceptability for applications in biomedical membranes. However, resulting fibres still need to be chemically modified post-spinning to ensure material integrity in physiological media, with inherent risks of alteration of fibre morphology and with limited opportunities to induce fibrillogenesis following collagen fixation in the crosslinked state. To overcome this challenge, we hypothesised that a photoactive type I collagen precursor bearing either single or multiple monomers could be employed to accomplish hierarchically assembled fibres with improved processability, macroscopic properties and nanoscale organisation via sequential wet spinning and UV-curing. In-house-extracted type I rat tail collagen functionalised with both 4-vinylbenzyl chloride (4VBC) and methacrylate residues generated a full hydrogel network following solubilisation in a photoactive aqueous solution and UV exposure, whereby ~85 wt.% of material was retained following 75-day hydrolytic incubation. Wide-angle X-ray diffraction confirmed the presence of typical collagen patterns, whilst an averaged compression modulus and swelling ratio of more than 290 kPa and 1500 wt.% was recorded in the UV-cured hydrogel networks. Photoactive type I collagen precursors were subsequently wet spun into fibres, displaying the typical dichroic features of collagen and regular fibre morphology. Varying tensile modulus (E = 5 ± 1 − 11 ± 4 MPa) and swelling ratio (SR = 1880 ± 200 − 3350 ± 500 wt.%) were measured following post-spinning UV curing and equilibration with phosphate-buffered saline (PBS). Most importantly, 72-h incubation of the wet spun fibres in PBS successfully induced renaturation of collagen-like fibrils, which were fixed following UV-induced network formation. The whole process proved to be well tolerated by cells, as indicated by a spread-like cell morphology following a 48-h culture of L929 mouse fibroblasts on the extracts of UV-cured fibres.
Grain Structure Evolution and Mechanical Properties of Multi-Channel Spiral Twist Extruded AA5083
Authors: Fouad Dina M. , El-Garaihy Waleed H. , Ahmed Mohamed M. Z. , Albaijan Ibrahim , Seleman Mohamed M. El-Sayed , Salem Hanadi G.
Published: August 2021

This study presents a comprehensive evaluation of the effects of multi-channel spiral twist extrusion (MCSTE) processing on the mechanical properties and structural evolution of AA5083. The structural evolution and texture developed were mapped by electron backscatter diffraction (EBSD) for three successive passes and compared with an as-annealed plate. An evaluation of the hardness and tensile properties was presented and correlated with the EBSD findings. The displayed EBSD results revealed that grain refinement was strongly associated with the presence of a high density of low-angle grain boundaries (LAGBs) after one pass, which developed into fine grains of less than 20 μm and high-angle grain boundaries (HAGBs) after three MCSTE passes. The three pass processing led to a 65% reduction in grain size. This reduction in grain size was coupled with an enhancement in the hardness and tensile properties. Additionally, the crystallographic texture study represented a slightly random texture due to the presence of intermetallic particles in AA5083. This study demonstrates the efficacy of MCSTE as a grain refinement tool.
Metabolic Phenotypes in Asthmatic Adults: Relationship with Inflammatory and Clinical Phenotypes and Prognostic Implications
Authors: Santos Adalberto , Pité Helena , Chaves-Loureiro Cláudia , Rocha Sílvia M. , Taborda-Barata Luís
Published: August 2021

Bronchial asthma is a chronic disease that affects individuals of all ages. It has a high prevalence and is associated with high morbidity and considerable levels of mortality. However, asthma is not a single disease, and multiple subtypes or phenotypes (clinical, inflammatory or combinations thereof) can be detected, namely in aggregated clusters. Most studies have characterised asthma phenotypes and clusters of phenotypes using mainly clinical and inflammatory parameters. These studies are important because they may have clinical and prognostic implications and may also help to tailor personalised treatment approaches. In addition, various metabolomics studies have helped to further define the metabolic features of asthma, using electronic noses or targeted and untargeted approaches. Besides discriminating between asthma and a healthy state, metabolomics can detect the metabolic signatures associated with some asthma subtypes, namely eosinophilic and non-eosinophilic phenotypes or the obese asthma phenotype, and this may prove very useful in point-of-care application. Furthermore, metabolomics also discriminates between asthma and other “phenotypes” of chronic obstructive airway diseases, such as chronic obstructive pulmonary disease (COPD) or Asthma–COPD Overlap (ACO). However, there are still various aspects that need to be more thoroughly investigated in the context of asthma phenotypes in adequately designed, homogeneous, multicentre studies, using adequate tools and integrating metabolomics into a multiple-level approach.
Chemostratigraphic and Textural Indicators of Nucleation and Growth of Polymetallic Nodules from the Clarion-Clipperton Fracture Zone (IOM Claim Area)
Authors: Skowronek Artur , Maciąg Łukasz , Zawadzki Dominik , Strzelecka Agnieszka , Baláž Peter , Mianowicz Kamila , Abramowski Tomasz , Konečný Patrik , Krawcewicz Artur
Published: August 2021

The detailed mineralogical and microgeochemical characteristics of polymetallic nodules collected from the Interoceanmetal Joint Organization (IOM, Szczecin, Poland) claim area, Eastern Clarion-Clipperton Fracture Zone (CCFZ, Eastern Pacific) were described in this study. The obtained data were applied for the delimitation of nodule growth generations and estimation of the growth ratios (back-stripping using the Co-chronometer method). The applied methods included bulk X-ray powder diffraction (XRD) and electron probe microanalysis (EPMA), providing information about Mn-Fe minerals and clays composing nodules, as well as the geochemical zonation of the growth generations. The analyzed nodules were mostly diagenetic (Mn/Fe > 5), with less influence on the hydrogenous processes, dominated by the presence of 10-Å phyllomanganates represented by todorokite/buserite, additionally mixed with birnessite and vernadite. The specific lithotype (intranodulith), being an integral part of polymetallic nodules, developed as a result of the secondary diagenetic processes of lithification and the cementation of Fe-rich clays (potentially nontronite and Fe-rich smectite), barite, zeolites (Na-phillipsite), bioapatite, biogenic remnants, and detrital material, occurs in holes, microcaverns, and open fractures in between ore colloforms. The contents of ∑(Ni, Cu, and Co) varied from 1.54 to 3.06 wt %. Several remnants of siliceous microorganisms (radiolarians and diatoms) were found to form pseudomorphs. The applied Co-chronometer method indicated that the nodules’ age is mainly Middle Pliocene to Middle Pleistocene, and the growth rates are typical of diagenetic and mixed hydrogenetic–diagenetic (HD) processes. Additionally, few nodules showed suboxic conditions of nucleation. Growth processes in the eastern part of the CCFZ deposit might have been induced with the Plio-Pleistocene changes in the paleooceanographic conditions related to the deglaciation of the Northern Hemisphere.
Trace Metal Contamination of Bottom Sediments: A Review of Assessment Measures and Geochemical Background Determination Methods
Authors: Nawrot Nicole , Wojciechowska Ewa , Mohsin Muhammad , Kuittinen Suvi , Pappinen Ari , Rezania Shahabaldin
Published: August 2021

This paper provides an overview of different methods of assessing the trace metal (TM) contamination status of sediments affected by anthropogenic interference. The geochemical background determination methods are also described. A total of 25 papers covering rivers, lakes, and retention tanks sediments in areas subjected to anthropogenic pressure from the last three years (2019, 2020, and 2021) were analysed to support our examination of the assessment measures. Geochemical and ecotoxicological classifications are presented that may prove useful for sediment evaluation. Among the geochemical indices, several individual pollution indices (CF, Igeo, EF, Pi (SPI), PTT), complex pollution indices (PLI, Cdeg, mCdeg, Pisum, PIAvg, PIaAvg, PIN, PIProd, PIapProd, PIvectorM, PINemerow, IntPI, MPI), and geochemical classifications are compared. The ecotoxicological assessment includes an overview of Sediment Quality Guidelines (SQG) and classifications introduced nationally (as LAWA or modified LAWA). The ecotoxicological indices presented in this review cover individual (ERi) and complex indices (CSI, SPI, RAC, PERI, MERMQ). Biomonitoring of contaminated sites based on plant bioindicators is extensively explored as an indirect method for evaluating pollution sites. The most commonly used indices in the reviewed papers were Igeo, EF, and CF. Many authors referred to ecotoxicological assessment via SQG. Moreover, PERI, which includes the toxic response index, was just as popular. The most recognised bioindicators include the Phragmites and Salix species. Phragmites can be considered for Fe, Cu, Cd, and Ni bioindication in sites, while Salix hybrid cultivars such as Klara may be considered for phytostabilisation and rhizofiltration due to higher Cu, Zn, and Ni accumulation in roots. Vetiveria zizanoides demonstrated resistance to As stress and feasibility for the remediation of As. Moreover, bioindicators offer a feasible tool for recovering valuable elements for the development of a circular economy (e.g., rare earth elements).
Multi-Proxy Study of a Holocene Soil Profile from Romania and Its Relevance for Speleothem Based Paleoenvironmental Reconstructions
Authors: Faur Luchiana , Drăgușin Virgil , Dimofte Daniela , Forray Ferenc Lázár , Ilie Maria , Marin Constantin , Mănăilescu Cristian , Mirea Ionuț Cornel , Panaiotu Cristian George , Soare Barbara , Timar-Gabor Alida , Tîrlă Maria Laura
Published: August 2021

In this study, we describe a sedimentary deposit situated above Ascunsă Cave (SW Romania) that should be in depositional connection with coeval stalagmites from the cave. We excavated a 2.5 m deep soil profile and took contiguous bulk samples every 5 cm. Soil samples were analyzed for clay mineralogy, grain size, chemical composition, magnetic susceptibility, and stable carbon isotopes. Radiocarbon dating revealed that the soil is of Holocene age, and presents a depositional hiatus between 5.4 and 2.3 thousand years before the present. Due to the open system behavior of soils and mobility of organic matter, a few hundred years of uncertainty should be considered for the duration of this hiatus. The fine fraction is dominated by silt, while the clay mineralogical association is made of illite, chlorite, kaolinite, vermiculite, and illite–vermiculite and illite–chlorite mixed layered minerals. The sediment source of this soil is represented by a nearby mélange complex, as well as by an underlying terra rossa-type soil. As this latter type of soil is widespread in our study area, we performed luminescence dating on two samples from a representative location close to our site and it appears that this type of Mediterranean soil was formed during the Last Interglacial period. δ13C variability in soil organic matter and a stalagmite from the cave are comparing well, and could help future studies identify modifications in isotopic fractionation processes within the cave.
Molecular Dynamics Simulations for Effects of Fluoropolymer Binder Content in CL-20/TNT Based Polymer-Bonded Explosives
Authors: Li Shenshen , Xiao Jijun
Published: August 2021

In order to better understand the role of binder content, molecular dynamics (MD) simulations were performed to study the interfacial interactions, sensitivity and mechanical properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane/2,4,6-trinitrotoluene (CL-20/TNT) based polymer-bonded explosives (PBXs) with fluorine rubber F2311. The binding energy between CL-20/TNT co-crystal (1 0 0) surface and F2311, pair correlation function, the maximum bond length of the N–NO2 trigger bond, and the mechanical properties of the PBXs were reported. From the calculated binding energy, it was found that binding energy increases with increasing F2311 content. Additionally, according to the results of pair correlation function, it turns out that H–O hydrogen bonds and H–F hydrogen bonds exist between F2311 molecules and the molecules in CL-20/TNT. The length of trigger bond in CL-20/TNT were adopted as theoretical criterion of sensitivity. The maximum bond length of the N–NO2 trigger bond decreased very significantly when the F2311 content increased from 0 to 9.2%. This indicated increasing F2311 content can reduce sensitivity and improve thermal stability. However, the maximum bond length of the N–NO2 trigger bond remained essentially unchanged when the F2311 content was further increased. Additionally, the calculated mechanical data indicated that with the increase in F2311 content, the rigidity of CL-20/TNT based PBXs was decrease, the toughness was improved.
Synthesis of Azacalixarenes and Development of Their Properties
Authors: Takemura Hiroyuki
Published: August 2021

This review focuses on the synthesis, structure, and interactions of metal ions, the detection of some weak interactions using the structure, and the construction of supramolecules of azacalixarenes that have been reported to date. Azacalixarenes are characterized by the presence of shallow or deep cavities, the simultaneous presence of a basic nitrogen atom and an acidic phenolic hydroxyl group, and the ability to introduce various side chains into the cyclic skeleton. These molecules can be given many functions by substituting groups on the benzene ring, modifying phenolic hydroxyl groups, and converting side chains. The author discusses the evidence of azacalixarene utilizing these characteristics.
Multimodal Warnings in Remote Operation: The Case Study on Remote Driving
Authors: Kallioniemi Pekka , Burova Alisa , Mäkelä John , Keskinen Tuuli , Ronkainen Kimmo , Mäkelä Ville , Hakulinen Jaakko , Turunen Markku
Published: August 2021

Developments in sensor technology, artificial intelligence, and network technologies like 5G has made remote operation a valuable method of controlling various types of machinery. The benefits of remote operations come with an opportunity to access hazardous environments. The major limitation of remote operation is the lack of proper sensory feedback from the machine, which in turn negatively affects situational awareness and, consequently, may risk remote operations. This article explores how to improve situational awareness via multimodal feedback (visual, auditory, and haptic) and studies how it can be utilized to communicate warnings to remote operators. To reach our goals, we conducted a controlled, within-subjects experiment in eight conditions with twenty-four participants on a simulated remote driving system. Additionally, we gathered further insights with a UX questionnaire and semi-structured interviews. Gathered data showed that the use of multimodal feedback positively affected situational awareness when driving remotely. Our findings indicate that the combination of added haptic and visual feedback was considered the best feedback combination to communicate the slipperiness of the road. We also found that the feeling of presence is an important aspect of remote driving tasks, and a requested one, especially by those with more experience in operating real heavy machinery.
Minute-Made, High-Efficiency Nanostructured Bi2Te3 via High-Throughput Green Solution Chemical Synthesis
Authors: Hamawandi Bejan , Batili Hazal , Paul Moon , Ballikaya Sedat , Kilic Nuzhet I. , Szukiewicz Rafal , Kuchowicz Maciej , Johnsson Mats , Toprak Muhammet S.
Published: August 2021

Scalable synthetic strategies for high-quality and reproducible thermoelectric (TE) materials is an essential step for advancing the TE technology. We present here very rapid and effective methods for the synthesis of nanostructured bismuth telluride materials with promising TE performance. The methodology is based on an effective volume heating using microwaves, leading to highly crystalline nanostructured powders, in a reaction duration of two minutes. As the solvents, we demonstrate that water with a high dielectric constant is as good a solvent as ethylene glycol (EG) for the synthetic process, providing a greener reaction media. Crystal structure, crystallinity, morphology, microstructure and surface chemistry of these materials were evaluated using XRD, SEM/TEM, XPS and zeta potential characterization techniques. Nanostructured particles with hexagonal platelet morphology were observed in both systems. Surfaces show various degrees of oxidation, and signatures of the precursors used. Thermoelectric transport properties were evaluated using electrical conductivity, Seebeck coefficient and thermal conductivity measurements to estimate the TE figure-of-merit, ZT. Low thermal conductivity values were obtained, mainly due to the increased density of boundaries via materials nanostructuring. The estimated ZT values of 0.8–0.9 was reached in the 300–375 K temperature range for the hydrothermally synthesized sample, while 0.9–1 was reached in the 425–525 K temperature range for the polyol (EG) sample. Considering the energy and time efficiency of the synthetic processes developed in this work, these are rather promising ZT values paving the way for a wider impact of these strategic materials with a minimum environmental impact.
Cellulose Nanocrystals/Chitosan-Based Nanosystems: Synthesis, Characterization, and Cellular Uptake on Breast Cancer Cells
Authors: Pinto Ricardo J. B. , Lameirinhas Nicole S. , Guedes Gabriela , Rodrigues da Silva Gustavo H. , Oskoei Párástu , Spirk Stefan , Oliveira Helena , Duarte Iola F. , Vilela Carla , Freire Carmen S. R.
Published: August 2021

Cellulose nanocrystals (CNCs) are elongated biobased nanostructures with unique characteristics that can be explored as nanosystems in cancer treatment. Herein, the synthesis, characterization, and cellular uptake on folate receptor (FR)-positive breast cancer cells of nanosystems based on CNCs and a chitosan (CS) derivative are investigated. The physical adsorption of the CS derivative, containing a targeting ligand (folic acid, FA) and an imaging agent (fluorescein isothiocyanate, FITC), on the surface of the CNCs was studied as an eco-friendly methodology to functionalize CNCs. The fluorescent CNCs/FA-CS-FITC nanosystems with a rod-like morphology showed good stability in simulated physiological and non-physiological conditions and non-cytotoxicity towards MDA-MB-231 breast cancer cells. These functionalized CNCs presented a concentration-dependent cellular internalization with a 5-fold increase in the fluorescence intensity for the nanosystem with the higher FA content. Furthermore, the exometabolic profile of the MDA-MB-231 cells exposed to the CNCs/FA-CS-FITC nanosystems disclosed a moderate impact on the cells’ metabolic activity, limited to decreased choline uptake and increased acetate release, which implies an anti-proliferative effect. The overall results demonstrate that the CNCs/FA-CS-FITC nanosystems, prepared by an eco-friendly approach, have a high affinity towards FR-positive cancer cells and thus might be applied as nanocarriers with imaging properties for active targeted therapy.
Serum 25-Hydroxyvitamin D Concentrations and Atopic Dermatitis in Early Childhood: Findings from the Japan Environment and Children’s Study
Authors: Yang Limin , Sato Miori , Saito-Abe Mayako , Nishizato Minaho , Mezawa Hidetoshi , Yamamoto-Hanada Kiwako , Ohya Yukihiro ,   The Japan Environment and Children’s Study (JECS) Group
Published: August 2021

Vitamin D (VitD) may affect immune system modulation and result in the development of atopic dermatitis (AD). However, published findings have remained controversial. We investigated the association between early-life 25-hydroxyvitamin D (25(OH)D) levels and AD risk at childhood with a birth cohort. The data were obtained from “the Japan Environment and Children’s Study (JECS)” and “the Sub-Cohort study of JECS” performed with children aged 2 years. “Liquid chromatography-tandem mass spectrometry” was used to measure VitD. The information on AD was obtained from parents’ answers to a questionnaire when their children were aged 3 years. In order to explain the seasonal effects on VitD levels, a deseasonalized continuous variable was further calculated. The logistic regression models were fitted to evaluate the effect of VitD on childhood AD. The study included 4378 children with complete data on VitD and AD. The results from models indicated that low VitD at 2 years was not a risk factor for the development of AD at 3 years, after adjusting for potential confounders. Moreover, there was no U-shape relationship between deseasonalized VitD and childhood AD. Overall, early-life 25(OH)D levels were not link to the increased risk of developing childhood AD.
Hydrolysed Formulas in the Management of Cow’s Milk Allergy: New Insights, Pitfalls and Tips
Authors: D’Auria Enza , Salvatore Silvia , Acunzo Miriam , Peroni Diego , Pendezza Erica , Di Profio Elisabetta , Fiore Giulia , Zuccotti Gian Vincenzo , Verduci Elvira
Published: August 2021

An allergy to cow’s milk requires the avoidance of cow’s milk proteins and, in some infants, the use of a hypoallergenic formula. This review aims to summarize the current evidence concerning different types of hydrolysed formulas (HF), and recommendations for the treatment of IgE- and non-IgE-mediated cow’s milk allergy and functional gastrointestinal disorders in infancy, for which some dietary intervention and HF may be of benefit to both immune and motor mechanisms. Current guidelines recommend cow’s milk protein (i.e., whey or casein) extensively hydrolysed formula (eHF) as the first choice for cow’s milk allergy treatment, and amino acid formulas for more severe cases or those with reactions to eHF. Rice hydrolysed formulas (rHF) have also become available in recent years. Both eHF and rHF are well tolerated by the majority of children allergic to cow’s milk, with no concerns regarding body growth or adverse effects. Some hydrolysates may have a pro-active effect in modulating the immune system due to the presence of small peptides and additional components, like biotics. Despite encouraging results on tolerance acquisition, evidence is still not conclusive, thus hampering our ability to draw firm conclusions. In clinical practice, the choice of hypoallergenic formula should be based on the infant’s age, the severity, frequency and persistence of symptoms, immune phenotype, growth pattern, formula cost, and in vivo proof of tolerance and efficacy.
Impact of Percutaneous Endoscopic Gastrostomy (PEG) on the Evolution of Disease in Patients with Amyotrophic Lateral Sclerosis (ALS)
Authors: López-Gómez Juan J. , Ballesteros-Pomar María D. , Torres-Torres Beatriz , Pintor-De la Maza Begoña , Penacho-Lázaro María A. , Palacio-Mures José M. , Abreu-Padín Cristina , Sanz-Gallego Irene , De Luis-Román Daniel A.
Published: August 2021

Dysphagia is a highly prevalent symptom in Amyotrophic Lateral Sclerosis (ALS), and the implantation of a percutaneous endoscopic gastrostomy (PEG) is a very frequent event. The aim of this study was to evaluate the influence of PEG implantation on survival and complications in ALS. An interhospital registry of patients with ALS of six hospitals in the Castilla-León region (Spain) was created between January 2015 and December 2017. The data were compared for those in whom a PEG was implanted and those who it was not. A total of 93 patients were analyzed. The mean age of the patients was 64.63 (17.67) years. A total of 38 patients (38.8%) had a PEG implantation. An improvement in the anthropometric parameters was observed among patients who had a PEG from the beginning of nutritional follow-up compared to those who did not, both in BMI (kg/m2) (PEG: 0 months, 22.06; 6 months, 23.04; p < 0.01; NoPEG: 0 months, 24.59–23.87; p > 0.05). Among the deceased patients, 38 (40.4%) those who had an implanted PEG (20 patients (52.6%) had a longer survival time (PEG: 23 (15–35.5) months; NoPEG 11 (4.75–18.5) months; p = 0.01). A PEG showed a survival benefit among ALS patients. Early implantation of a PEG produced a reduction in admissions associated with complications derived from it.
Investigation of Potential Reservoirs of Non-Tuberculous Mycobacteria in a European Sea Bass (Dicentrarchus labrax) Farm
Authors: Mugetti Davide , Varello Katia , Pastorino Paolo , Tomasoni Mattia , Menconi Vasco , Bozzetta Elena , Dondo Alessandro , Prearo Marino
Published: August 2021

Fish mycobacteriosis is a widespread global problem caused by species of non-tuberculous mycobacteria (NTM). Mycobacterium marinum is one of the species most often involved in disease episodes of aquarium and farmed fish. Since there is currently no available effective therapy or vaccine, a prompt search for routes of entry is key to limiting the damage induced by the disease. Here we report a case of mycobacteriosis follow up in a European sea bass (Dicentrarchus labrax) farm located in Northern Italy, in which environmental samples and newly added fish batches were analyzed. Samples from fish present on the farm, sediment, and periphyton all resulted positive for M. marinum, whereas the new fish batches and the water samples resulted negative. The environmental resistance of NTM (alcohol-acid resistance, biofilm formation) and the lack of prophylactic and therapeutic strategies make these diseases difficult to manage. Prompt identification of biotic and abiotic reservoirs, combined with good zootechnical hygiene practices, are the most effective measures to control fish mycobacteriosis in intensive farms.
Development, Characterization, and In Vivo Evaluation of a Novel Aptamer (Anti-MUC1/Y) for Breast Cancer Therapy
Authors: Khan Huma , Makwana Vaidehi , Santos Sofia Nascimento dos , Bonacossa de Almeida Carlos Eduardo , Santos-Oliveira Ralph , Missailidis Sotiris
Published: August 2021

MUC1, the transmembrane glycoprotein Mucin 1, is usually found to be overexpressed in a variety of epithelial cancers playing an important role in disease progression. MUC1 isoforms such as MUC1/Y, which lacks the entire variable number of tandem repeat region, are involved in oncogenic processes by enhancing tumour initiation. MUC1/Y is therefore considered a promising target for the identification and treatment of epithelial cancers; but so far, the precise role of MUC1/Y remains to be elucidated. In this work, we developed and identified a DNA aptamer that specifically recognizes the splice variant MUC1/Y for the first time. The DNA aptamer could bind to a wide variety of human cancer cells, and treatment of MUC1/Y positive cells resulted in reduced growth in vitro. Moreover, MUC1/Y aptamer inhibited the tumour growth of breast cancer cells in vivo. The present study highlights the importance of targeting MUC1/Y for cancer treatment and unravels the suitability of a DNA aptamer to act as a new therapeutic tool.
Synthesis and Properties of Targeted Radioisotope Carriers Based on Poly(Acrylic Acid) Nanogels
Authors: Matusiak Małgorzata , Rurarz Beata P. , Kadłubowski Sławomir , Wolszczak Marian , Karczmarczyk Urszula , Maurin Michał , Kolesińska Beata , Ulański Piotr
Published: August 2021

Radiation crosslinking was employed to obtain nanocarriers based on poly(acrylic acid)—PAA—for targeted delivery of radioactive isotopes. These nanocarriers are internally crosslinked hydrophilic macromolecules—nanogels—bearing carboxylic groups to facilitate functionalization. PAA nanogels were conjugated with an engineered bombesin-derivative—oligopeptide combined with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate chelating moiety, aimed to provide selective radioligand transport. 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium (DMTMM) toluene-4-sulfonate was used as the coupling agent. After tests on a model amine—p-toluidine—both commercial and home-synthesized DOTA-bombesin were successfully coupled to the nanogels and the obtained products were characterized. The radiolabeling efficiency of nanocarriers with 177Lu, was chromatographically tested. The results provide a proof of concept for the synthesis of radiation-synthesized nanogel-based radioisotope nanocarriers for theranostic applications.
Evaluation of the Predictive Performance of Population Pharmacokinetic Models of Adalimumab in Patients with Inflammatory Bowel Disease
Authors: Marquez-Megias Silvia , Ramon-Lopez Amelia , Más-Serrano Patricio , Diaz-Gonzalez Marcos , Candela-Boix Maria Remedios , Nalda-Molina Ricardo
Published: August 2021

Adalimumab is a monoclonal antibody used for inflammatory bowel disease. Due to its considerably variable pharmacokinetics, the loss of response and the development of anti-antibodies, it is highly recommended to use a model-informed precision dosing approach. The aim of this study is to evaluate the predictive performance of different population-pharmacokinetic models of adalimumab for inflammatory bowel disease to determine the pharmacokinetic model(s) that best suit our population to use in the clinical routine. A retrospective observational study with 134 patients was conducted at the General University Hospital of Alicante between 2014 and 2019. Model adequacy of each model was evaluated by the distribution of the individual pharmacokinetic parameters and the NPDE plots whereas predictive performance was assessed by calculating bias and precision. Moreover, stochastic simulations were performed to optimize the maintenance doses in the clinical protocols, to reach the target of 8 mg/L in at least 75% of the population. Two population-pharmacokinetic models were selected out of the six found in the literature which performed better in terms of adequacy and predictive performance. The stochastic simulations suggested the benefits of increasing the maintenance dose in protocol to reach the 8 mg/L target.
The Anti-Nociceptive Potential of Tulathromycin against Chemically and Thermally Induced Pain in Mice
Authors: Elbadawy Mohamed , Abugomaa Amira , El-Husseiny Hussein M. , Mandour Ahmed S. , Abdel-Daim Mohamed M. , Aboelenin Salama Mostafa , Soliman Mohamed Mohamed , El-Mleeh Amany
Published: August 2021

The present study was conducted to evaluate the analgesic potential of the new triamilide macrolide antibiotic, tulathromycin, at 20 and 40 mg/kg of body weight (BW), subcutaneously against acute pain in mice. Acute pain was induced either chemically (using acetic acid-induced writhing and formalin-induced pain tests) or thermally (using hot-plate, and tail-flick tests). In the acetic acid-induced writhing test, tulathromycin induced a dose-dependent and significant decrease in the number of writhes compared with the control group. In the late phase of the formalin test, a significant decline in hind paw licking time compared with the control group was observed. In the hot-plate and tail-flick tests, tulathromycin caused a dose-dependent and significant prolongation of latency of nociceptive response to heat stimuli, compared with the control group. These findings may indicate that tulathromycin possesses significant peripheral and central analgesic potentials that may be valuable in symptomatic relief of pain, in addition to its well-established antibacterial effect.
Mode-Dependent Antiviral Activity of Medicinal Plant Extracts against the Mosquito-Borne Chikungunya Virus
Authors: Chan Sze Mun , Khoo Kong Soo , Sekaran Shamala Devi , Sit Nam Weng
Published: August 2021

The lack of specific treatment for chikungunya fever makes the need for anti-chikungunya virus agents more crucial. This study was conducted to evaluate 132 extracts obtained by sequential solvent extraction from 21 medicinal plants for cytopathic effect inhibitory activity using virus-infected Vero cells in two different sample introduction modes. Among the extracts, 42 extracts (31.8%) from 12 plants in the concurrent mode and three extracts (2.3%) from a plant in the non-concurrent mode displayed strong cytopathic effect inhibitory activity (cell viability ≥70%). Viral load quantification analysis unveiled that the extracts of Clinacanthus nutans (chloroform, ethyl acetate, and ethanol), Hydrocotyle sibthorpioides (ethanol), and Ocimum americanum (ethanol and methanol) hindered the release of viral progeny from the infected cells while the extracts of Ficus deltoidea (ethanol), Gynura bicolor (water), H. sibthorpioides (water), and O. americanum (chloroform and ethyl acetate) blocked the entry of virus into the cells. The extracts of Diodella sarmentosa (ethyl acetate), Diplazium esculentum (chloroform, ethyl acetate, and ethanol), and G. bicolor (ethanol) possessed virucidal effect and caused 5.41-log to 6.63-log reductions of viral load compared to the virus control. The results indicate that these medicinal plants are potential sources of anti-chikungunya virus agents that have varied modes of action.