bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Dynamics Study of Sorafenib Anti‐Cancer Drug: Inclusion Complex in Amphiphilic Cyclodextrin
Authors: Raffaini Giuseppina , Mazzaglia Antonino , Catauro Michelina 
Published: February 2021

AbstractCyclodextrins (CDs) are cyclic oligosaccharides able to solubilize hydrophobic drugs in water enhancing their bioavailability. Sorafenib (SOR) is a lipophilic oral multikinase inhibitor that impedes proliferation, angiogenesis, and invasion of cancer cells with low water‐solubility. Recently, amphiphilic cyclodextrins (aCDs) have been investigated as possible nanocarrier for systemic administration of SOR increasing its bio‐availability. A theoretical study about inclusion complexes of SOR drug and a model of aCD system using molecular mechanics (MM) and molecular dynamics (MD) methods is here reported. At first, the single molecule aCD (SC6OH, heptakis(2‐O‐oligo(ethylene oxide)‐6‐hexylthio)‐β‐CD bearing 14 units of ethylene‐oxide at the CD secondary rim) and SOR drug are studied. Then, the interaction between aCD and SOR is investigated. The theoretical results display different types of interaction geometries. The most stable geometry of the host‐guest complex showed the lowest potential and favorable interaction energy and the fluorine atoms of SOR drug molecule are directed toward the hydrophobic primary rim of the aCD, while the part of the SOR rich in oxygen atoms is directed toward the hydrophilic secondary rim. This theoretical result is in a good agreement with NMR data in literature about same aCD as host of Sorafenib anti‐cancer drug.
Cytocompatibility of Caffeic Acid‐Silica Hybrid Materials on NIH‐3T3 Fibroblast Cells
Authors: Catauro Michelina , Poggetto Giovanni Dal , Crescente Giuseppina , Piccolella Simona , Pacifico Severina 
Published: February 2021

AbstractThe hydroxycinnamoyl compound caffeic acid (CA), broadly occurring in plants, is receiving special attention in materials science thanks to its antioxidant, anti‐inflammatory, and antimicrobial activities that make it promising for application use in various sectors. In this context, CA–based peptide biomaterials are recently developed as eco‐friendly and multifunctional free radical scavengers useable in a wide range of consumer manufacture, ranging from cosmetics to household products, as well as clinical applications, including imaging, drug delivery, and disinfection. Furthermore, a water‐soluble chitosan‐caffeic acid conjugate, effective in delaying lipid oxidation, is also synthetized. Herein, exploiting sol‐gel route versatility, CA/silica materials are synthetized. Hybrids, chemically characterized mainly through spectroscopic techniques, varied in their relative CA content, which represented 5%, 10%, 15%, or 20% of materials’ weight. The synthetized materials are able to elicit anti‐radical properties. The CA amount appeared to be determinant in anti‐radical activity, as well as in biocompatibility assessment. To this latter purpose, mouse embryonic fibroblast cell line NIH‐3T3 cells are utilized and directly exposed to hybrid materials. Redox mitochondrial activity is evaluated by means of the MTT test, whose results are in accordance with the materials’ biocompatibility.
A novel SiO2/Polyetherimide (PEI) Composite Synthesized by Sol‐Gel Route: Characterization and Antibacterial Activity
Authors: Poggetto Giovanni Dal , Fiorentino Marika , D'angelo Antonio , Catauro Michelina 
Published: February 2021

AbstractPolyetherimide (PEI), an amorphous thermoplastic material, is a promising candidate for wide applications due to its high heat stability and its biocompatibility in human tissues. In the present paper, PEI (4 wt%) is added to SiO2 inorganic matrix in order to obtain a novel composite biomaterial through sol‐gel route. Structural characterization by means of Fourier Transform Infrared Spectroscopy (FTIR) confirmed, through hydrogen bond interactions, the presence of both organic and inorganic components in the structure. Concerning the compatibility in the biological systems, a study of antibacterial properties is carried out, analyzing the effect of SiO2/PEI composite on Escherichia coli (gram‐negative) and Enterococcus faecalis (gram‐positive).
Shear Characterization of Additively Manufactured Short Carbon Fiber‐Reinforced Polymer
Authors: Striemann Patrick , Bulach Simon , Hülsbusch Daniel , Niedermeier Michael , Walther Frank 
Published: February 2021

AbstractThe additive manufacturing (AM) techniques Fused Deposition Modeling (FDM™) or Fused Filament Fabrication (FFF) are all based on material extrusion and are one of the most widely used AM methods. Serial production with this technology requires a deep understanding for the process and the effects of the process parameters on the mechanical properties. In literature tensile, compression, or flexural properties are often considered. However, the basic structure of a FFF part is strongly anisotropic and therefore similar to a composite material. The characterization of a carbon fiber‐reinforced polymer (CFRP) involves additional material properties. One of the most informative quality values for CFRP is the interlaminar shear strength (ILSS) in the midplane direction. The ILSS can be handled in an equivalent way for AM parts in form of the interlayer shear strength. The literature shows various approaches, but no existing standard to determine the interlayer shear strength for FFF parts. The aim of the study is a suitable experimental setup for identifying the interlayer shear strength of AM parts. The experimental setup and the specimen geometry in accordance with DIN 65148 are adapted to ensure an interlayer failure mode between two layers. The newly developed test approach is validated with a test series showing a decrease in ILSS of up to 40% by increasing the layer height.
Correlation Between Composites Behavior and the Manufacturing Process Used
Authors: Hammiche Dalila , Boukerrou Amar , Duchet‐Rumeau Jannick , Gerard Jean‐François 
Published: February 2021

AbstractIn this work, alfa fiber reinforced polyvinyl chloride (PVC) composites treated with PVC‐g‐MA (5%), used as a compatibilizer, are prepared using three processing techniques: calendering, Brabender, and injection molding. The morphology, the tensile and thermal properties of PVC/alfa composites with and without compatibilizer obtained through these three processes are compared. The results showed, to a great extent, that the injection molding process is more effective for the manufacturing of PVC/alfa composites.
Ensuring Environmental Safety and Economic Benefits from the Use of Biodegradable Materials Based on Low‐Density Polyethylene with Natural Rubber Additives as Products with a Short Service Life
Authors: Varyan Ivetta A. , Bobkov Aleksandr L. , Mikhailov Igor A. , Kolesnikova Natalia N. 
Published: February 2021

AbstractAs part of the research, the authors proposed a recipe and production technology for a line of biodegradable materials based on low density polyethylene with different content of natural rubber. The advantages of using such materials include their high operational physical and mechanical properties, which make it possible to create a wide range of various products from these materials, as well as their high biodegradability in soil. So for the composition PE/NR‐50/50, the weight loss in the soil within 18 months was more than 40%. In addition, using the example of the composition PE/NR‐50/50, the authors carried out calculations of the efficiency of organizing the production of material according to the developed recipe, which showed a high investment attractiveness of the implementation of such a project.
Chemical Modification of Films from Biosynthetic Poly‐3‐Hydroxybutyrate Aimed to Improvement of Their Surface Properties
Authors: Boyandin Anatoly Nikolayevich , Sukhanova Anna Alekseevna , Nikolaeva Elena Dmitrievna , Nemtsev Ivan Vasilievich 
Published: February 2021

AbstractFilms from biodegradable poly‐3‐hydroxybutyrate are treated with chemical reagents to improve their hydrophilicity and biocompatibility. Two approaches are tested: a single treatment with alkali, acids, oxidizing or reducing agents, and a step‐by step treatment of the alkali pre‐activated surface of polymer films with bromine water and amino‐compounds (ammonia or triethylamine). The maximal level of hydrophilicity (the lowest water contact angle and the highest polar component of the surface free energy) is registered after a single treatment with NaOH and after the step‐by‐step treatment. These samples also showed the best adhesion of mouse fibroblasts of NIH 3T3 line on the film surface. So, the proposed methods can be used to enhance hydropilicity and biocompatibility of biopolymer surface.
Design and experimental verification of compact dual‐element quasi‐self‐complementary ultra‐wideband multiple‐input multiple‐output antenna for wireless applications
Authors: Kaur Harleen , Singh Hari Shankar , Upadhyay Rahul 
Published: February 2021

AbstractIn this article, a compact dual‐element quasi‐self‐complementary (QSC) multiple‐input multiple‐output (MIMO) antenna for ultra‐wideband (UWB) communication is presented. The overall area of the antenna is 32 × 39 mm2 (0.26 λl × 0.31 λl, where, λl is at lowest cutoff frequency) which is designed on low cost FR‐4 substrate. It has two half‐cut flower shaped (HCFS) radiators on its top which is formed by merging four ellipses of same eccentricity and then splitted in two halves at the center. On the other side, quasi‐self‐complementary phenomenon is introduced via etching slots which are complement to the radiator's shape. Also, a rectangular slit on the ground plane just below the feed line improves impedance matching. The proposed antenna operates in the range of frequencies 2.43GHz to 11.2GHz with high inter‐port isolation of greater than ‐19 dB over entire frequency of interest. Moreover, the stability of the design is validated in terms of diversity parameters [envelop correlation coefficients (ECC), channel capacity loss (CCL), mean effective gain (MEG), and Effective diversity gain (EDG)] and radiation parameters which makes it suitable for UWB‐MIMO wireless application.
Magnesium sulfate titration reduces maternal complications following fetoscopic closure of spina bifida
Authors: Lehoczky Lucy , Southworth Annie B. , Zamudio Martínez Gabriela , Belfort Michael A. , Shamshirsaz Alireza A. , Shamshirsaz Amir , Sanz Cortes Magdalena , Nassr Ahmed A. , Donepudi Roopali , Whitehead William E. , Johnson Rebecca , Meshinchi Nazli , Espinoza Jimmy 
Published: February 2021

AbstractObjectiveTo evaluate if magnesium sulfate (MgSO4) titration following fetoscopic spina bifida closure is associated with fewer maternal complications than the Management of Myelomeningocele Study (MOMS) tocolytic regimen.MethodsThis prospective cohort study included 73 consecutive patients undergoing fetoscopic closure of spina bifida between 2015 and 2020. A policy of using the MgSO4 regimen per the MOMS trial was changed to a flexible one in which MgSO4 was titrated according to the frequency of the uterine contractions following surgery. The frequency of maternal pulmonary edema, low maternal oxygen saturation requiring oxygen supplementation, atelectasis, hypocalcemia, and preterm delivery was compared before and after the policy was changed.ResultsA higher proportion of women in the group that used the MOMS MgSO4 regimen had pulmonary edema compared to those in the flexible one (26.1% [6/23] vs. 6% [3/50]; p = 0.024). Multivariate analysis showed that the MOMS tocolytic regimen was independently associated with a higher risk of pulmonary edema (adjusted odds ratio: 8.57; 95% confidence interval: 1.54–47.7; p = 0.014) than a flexible one. There was no difference in the rate of preterm delivery.ConclusionFollowing fetoscopic closure of spina bifida, the MOMS MgSO4 regimen is associated with an increased risk of pulmonary edema than a more flexible regimen.
Inverse emulsion polymerization‐assisted designing of superparamagnetic poly (2‐hydroxyethyl methacrylate) nanoparticles and magnetically triggered release of cisplatin
Authors: Gupta Meher Kanta , Bajpai Jaya , Bajpai Anil Kumar 
Published: February 2021

AbstractSuperparamagnetic nanocarriers of poly (2‐hydroxyethyl methacrylate) (PHEMA) were prepared by carrying out benzoyl peroxide (BPO) initiated inverse emulsion‐free radical polymerization of HEMA in the presence of poly (vinyl alcohol) (PVA) and subsequent in situ precipitation of magnetite within the PHEMA matrix. The as‐prepared nanoparticles were characterized by FTIR and UV–visible spectroscopy, vibrating sample magnetometry (VSM), particle size and zeta potential analysis, and transmission electron microscopy, respectively. The PHEMA nanocarriers were investigated for their blood compatibility, and cytotoxicity response to L929 cells. The superparamagnetic nanoparticles were loaded with an anticancer drug cisplatin and the release profiles of the drug were examined as a function of various experimental parameters like composition of the PHEMA nanocarriers, percentage of drug loading, and strength of the externally imposed magnetic field. The kinetics of the drug release process was also investigated, and the obtained release data were applied to different mathematical kinetic models to explore the nature of the release mechanism.
Studies on the Effect of Ageing on Thermal, Ballistic and Mechanical Properties of Advanced Energetic Propellants
Authors: Kumar Amit , Sadavarte Vaibhav S. , Santosh Mada S. S. N. M. , Pande Shrikant M , Chavan Prakash V. 
Published: February 2021

AbstractIn order to study the ageing behaviour of advanced energetic propellants during storage and the effect of nitrate ester on the shelf life, accelerated ageing tests were conducted on two types of propellants based on nitrate esters, BTTN (as P‐1) and NG:BTTN (1 : 1) mixture (as P‐2). Mechanical and ballistic characterization of P‐1 and P‐2 propellants were carried out during storage at ambient (27 °C) and elevated temperature (40 °C and 55 °C). During ageing, tensile strength and Young‘s modulus of propellants are increasing and percentage elongation is decreasing due to depletion of nitrate ester from the locus. Also, there is a loss of stabilizer with time during ageing. Thermal decompositions of P‐1 and P‐2 were studied using differential thermal analysis at four heating rates (1 °C/min, 2 °C/min, 5 °C/min, and 10 °C/min) during ambient and accelerated ageing. Activation energies for thermal decomposition were calculated using Kissinger's and Ozawa's methods by assuming first‐order reaction kinetics for first stage decomposition in DSC studies of aged propellants. The shelf life of propellants was predicted based on the classical Arrhenius equation using zero‐order kinetics of degradation of the propellant mechanical property i. e. percentage elongation. With the 30 percentage elongation as the critical evaluation parameter, predicted shelf life at 25 °C is 23.97 years and 12.17 years for P‐1 and P‐2 respectively.
Crosslinking mass spectrometry: A link between structural biology and systems biology
Authors: Tang Xiaoting , Wippel Helisa H. , Chavez Juan D. , Bruce James E. 
Published: February 2021

AbstractProtein structure underpins functional roles in all biological processes; therefore, improved understanding of protein structures is of fundamental importance in nearly all biological and biomedical research areas. Traditional techniques such as X‐ray crystallography and more recently, cryo‐EM, can reveal structural features on isolated proteins/protein complexes at atomic resolution level and have become indispensable tools for structural biology. Crosslinking mass spectrometry (XL‐MS), on the other hand, is an emerging technique capable of capturing transient and dynamic information on protein interactions and assemblies in their native environment. The combination of XL‐MS with traditional techniques holds potential for bridging the gap between structural biology and systems biology approaches. Such a combination will enable visualization of protein structures and interactions within the crowded macromolecular environment in living systems that can dramatically increase understanding of biological functions. In this review, we first discuss general strategies of XL‐MS and then survey recent examples to show how qualitative and quantitative XL‐MS studies can be integrated with available protein structural data to better understand biological function at systems level.
Pre‐arrival temporalities of displacement in refugee migration: The case of resettled Ethiopian refugees in Australia
Authors: Tefera Goshu Wolde 
Published: February 2021

AbstractFor refugees, displacement involves a reconfiguration of both space and time. Yet the temporal aspect receives less emphasis in existing geographic research. Paying attention to the temporal dimension can generate conceptually innovative insights into how temporality shapes refugees' experiences of displacement. Based on empirical research conducted with Ethiopian refugees in Melbourne, the paper considers how the participants experienced time throughout their migration journeys until their arrival in Australia. The participants' accounts suggest that their pre‐arrival displacement experiences were characterised by four novel distinct temporal features:spontaneity,disorientation, transposition, andincessancy. Recounting their stories, the participants pointed out that they were excluded from time and space, while simultaneously being engaged in temporary place‐making endeavours, navigating through multiple temporalities. Being displaced has altered their connections not only to places but also to times of which they are a part. The paper expands the growing theme of time and temporalities in geographic and migration research while showing how refugee experiences are dictated and controlled by time.
Transnational divorce in binational marriages: The case of Portuguese–Brazilian and Portuguese–Cape Verdean couples
Authors: Gaspar Sofia , Ramos Madalena , Ferreira Ana Cristina 
Published: February 2021

AbstractWhile academic research has focused on binational marriages (i.e., marriages between partners of different national origins), transnational divorce is still under‐researched in the field of migration and family studies. Drawing on qualitative data, this paper analyses the testimonies of Brazilian and Cape Verdean migrant women concerning their experiences of marriage and divorce from Portuguese partners. We adopt an intersectional approach to highlight how some central categories—gender, social class and migration status—influence their agency and consequences of marital disruption. Contrary to studies in which migrant women are victimised after divorce, our results reveal that, for these women, marital dissolution is an empowering strategy to end up their unhappy marriages.
Migration and the reconfiguration of rural places: The accommodation of difference in Odemira, Portugal
Authors: Fonseca Maria Lucinda , Esteves Alina , Moreno Luís 
Published: February 2021

AbstractInternational migration reconfigures rural places by engaging localities with globalising forces. Accommodating newcomers, be they farming labourers or lifestyle migrants is a challenge at the local level due to the clash of interests, different visions on how the land should be managed and development promoted. Using Odemira as a case study, the paper has two goals: to show the change brought about by foreign investments in agribusiness, international labourers and lifestyle migrants to a rural place; and to highlight the strategies devised by local actors in the accommodation of new demands of language and housing. Language classes for adults and housing provisions are far from satisfying the needs. Schools display more flexibility to accommodate migrant children, whereas the agribusiness firms are increasing its lobbying capacity for their interest by pushing forward the approval of an exceptional regime that authorises the installation of workers in precarious accommodation located on the farms.
Directionally sensitive MCUSUM mean charts
Authors: Haq Abdul , Sohrab Komal 
Published: February 2021

AbstractIn the context of a disease outbreak detection, a prime interest is to only detect increases in the process mean. It is thus desirable to have a directionally sensitive multivariate chart that can effectively detect either increases or decreases in the process mean vector. In this paper, with a suitable transformation that truncates multivariate observations either above or below the process mean vector, we propose one‐sided and two one‐sided MCUSUM charts for monitoring the mean of a multivariate normal process. Among the proposed charts, the one‐sided MCUSUM charts are directionally sensitive, while the two one‐sided MCUSUM charts are directionally insensitive. In addition, the fast initial response feature is also incorporated into the proposed charts to enhance their sensitivities against initial process shifts. The run length characteristics of these control charts are computed with the Monte Carlo simulation. Based on the run length comparisons, it is found that the proposed charts are more sensitive than the existing charts when detecting moderate‐to‐large shifts in the process mean. The proposed charts are also applied on real datasets to support the theory.
Advances and Prospects of High‐Voltage Spinel Cathodes for Lithium‐Based Batteries
Authors: Yu Xingwen , Yu Wiley A. , Manthiram Arumugam 
Published: February 2021

AbstractInsertion compounds have been dominating the cathodes in commercial lithium‐ion batteries. In contrast to layered oxides and polyanion compounds, the development of spinel‐structured cathodes is a little behind. Owing to a series of advantageous properties, such as high operating voltage (≈4.7 V), high capacity (≈135 mAh g−1), low environmental impact, and low fabrication cost, the high‐voltage spinel LiNi0.5Mn1.5O4 represents a high‐power cathode for advancing high‐energy‐density Li+‐ion batteries. However, the wide application and commercialization of this cathode are hampered by its poor cycling performance. Recent progress in both the fundamental understanding of the degradation mechanism and the exploration of strategies to enhance the cycling stability of high‐voltage spinel cathodes have drawn continuous attention toward this promising insertion cathode. In this review article, the structure–property correlations and the failure mode of high‐voltage spinel cathodes are first discussed. Then, the recent advances in mitigating the cycling stability issue of high‐voltage spinel cathodes are summarized, including the various approaches of structural design, doping, surface coating, and electrolyte modification. Finally, future perspectives and research directions are put forward, aiming at providing insightful information for the development of practical high‐voltage spinel cathodes.