bluuebunny/crossref_metadata_2025 huggingface dataset:
High-Sensitivity C-Reactive Protein is a Predictor of Subsequent Atrial High-Rate Episodes in Patients with Pacemakers and Preserved Ejection Fraction
Authors: Liao Min-Tsun , Chen Chun-Kai , Lin Ting-Tse , Cheng Li-Ying , Ting Hung-Wen , Liu Yen-Bin
Published: November 2020

Atrial fibrillation (AF) is associated with morbidity and mortality. Modern pacemakers can detect atrial high-rate episodes (AHREs) as a surrogate for AF. It remains controversial whether inflammation is a cause or a consequence of AF. This study investigated whether the inflammatory biomarker high-sensitivity C-reactive protein (hs-CRP) can predict subsequent AHREs. This study gathered prospective data from patients with pacemakers and a left ventricle EF ≥ 50% between 2015 and 2019. The hs-CRP and other cardiac biomarkers at baseline and device-detected AHREs, defined as atrial rate ≥ 180 bpm and duration ≥ 6 min, were determined. Cox regression analysis was used to estimate the independent predictors for AHREs. A total of 171 consecutive patients were included. During the median follow-up of 614 days, 66 patients (39%) developed subsequent AHREs. In the univariate Cox regression analysis, sick sinus syndrome (p = 0.005), prior AF (p < 0.001), mitral A velocity (p = 0.008), and hs-CRP (p = 0.013) showed significant association with the increased risk of AHREs. In the multivariate Cox regression model, hs-CRP (HR = 1.121, 95% confidence interval = 1.015–1.238, p = 0.024) retained its significance. Our results suggest that elevated hs-CRP could predict subsequent AHREs and that inflammation could play a role in AF pathogenesis in patients with preserved EF.
Global Asthma Network Phase I Surveillance: Geographical Coverage and Response Rates
Authors: Ellwood Philippa , Ellwood Eamon , Rutter Charlotte , Perez-Fernandez Virginia , Morales Eva , García-Marcos Luis , Pearce Neil , Asher M , Strachan David ,   on behalf of the GAN Phase I Study Group
Published: November 2020

Background—The Global Asthma Network (GAN) Phase I is surveying school pupils in high-income and low- or middle-income countries using the International Study of Asthma and Allergies in Childhood (ISAAC) methodology. Methods—Cross-sectional surveys of participants in two age groups in randomly selected schools within each centre (2015–2020). The compulsory age group is 13–14 years (adolescents), optionally including parents or guardians. Six to seven years (children) and their parents are also optional. Adolescents completed questionnaires at school, and took home adult questionnaires for parent/guardian completion. Children took home questionnaires for parent/guardian completion about the child and also adult questionnaires. Questions related to symptoms and risk factors for asthma and allergy, asthma management, school/work absence and hospitalisation. Results—53 centres in 20 countries completed quality checks by 31 May 2020. These included 21 centres that previously participated in ISAAC. There were 132,748 adolescents (average response rate 88.8%), 91,802 children (average response rate 79.1%), and 177,622 adults, with >97% answering risk factor questions and >98% answering questions on asthma management, school/work absence and hospitalisation. Conclusion—The high response rates achieved in ISAAC have generally been maintained in GAN. GAN Phase I surveys, partially overlapping with ISAAC centres, will allow within-centre analyses of time-trends in prevalence.
No Place Called Home. The Banishment of ‘Foreign Criminals’ in the Public Interest: A Wrong without Redress
Authors: O’Nions Helen
Published: November 2020

This article examines the legal and ethical rationale for the deportation of ‘foreign criminals’ who have established their homes in the United Kingdom. It argues that provisions relating to automatic deportation constitute a second punishment that can be more accurately described as banishment. The human rights of those defined as ‘foreign criminals’ have been reduced to privileges that are easily withdrawn with reference to the ill-defined public interest. The ability to challenge deportation is then compromised by a non-suspensive appeal process that deliberately undermines the right to an effective remedy whilst further damaging private and family life. With reference to social membership and domicile theories of belonging, it is suggested that those who have made their lives in the UK and established their place and domicile here should be regarded as unconditional members of civil society. As such, they are entitled to equality of treatment in the criminal justice system and should be immune from punitive ‘crimmigration’ measures.
Performance Parameters of Inductively Coupled Plasma Optical Emission Spectrometry and Graphite Furnace Atomic Absorption Spectrometry Techniques for Pd and Pt Determination in Automotive Catalysts
Authors: Senila Marin , Cadar Oana , Senila Lacrimioara , Böringer Sarah , Seaudeau-Pirouley Karine , Ruiu Andrea , Lacroix-Desmazes Patrick
Published: November 2020

Palladium (Pd) and platinum (Pt) are extensively used as catalysts in the petrochemical and automotive industries, and due to high demand for them on the market, their recycling from spent supported catalysts is clearly needed. To assess the content of Pd and Pt in catalysts in order to establish their commercial value or to evaluate the recovery efficiency of technologies used for recycling, reliable analytical methods for determination of these elements are required. Spectrometric methods, such as inductively coupled plasma optical emission spectrometry (ICP-OES) and graphite furnace atomic absorption spectrometry (GFAAS) are powerful tools that can be employed for the determination of Pd and Pt in various sample matrices. However, these methods allow only the injection of liquid samples. In this regard, the digestion of solid sample by microwave-assisted acid extraction procedures at high pressures and temperatures is often used. In this study, a microwave acid digestion method was optimized for the extraction of Pd and Pt from spent catalysts, using a four-step program, at a maximum 200 °C. The resulting solutions were analyzed using ICP-OES, at two different wavelengths for each metal (Pd at 340.458 and 363.470 nm, and Pt at 265.945 and 214.423 nm, respectively) and using GFAAS (Pd at 247.64 nm, Pt at 265.94 nm). Five types of spent catalyst were analyzed and the standard deviations of repeatability for five parallel samples were less than predicted relative standard deviations (PRSD%) calculated using Horvitz’s equation for all the analyzed samples.
A Narrow-Band Multi-Resonant Metamaterial in Near-IR
Authors: Ali Farhan , Aksu Serap
Published: November 2020

We theoretically investigate a multi-resonant plasmonic metamaterial perfect absorber operating between 600 and 950 nm wavelengths. The presented device generates 100% absorption at two resonance wavelengths and delivers an ultra-narrow band (sub-20 nm) and high quality factor (Q=44) resonance. The studied perfect absorber is a metal–insulator–metal configuration where a thin MgF2 spacer is sandwiched between an optically thick gold layer and uniformly patterned gold circular nanodisc antennas. The localized and propagating nature of the plasmonic resonances are characterized and confirmed theoretically. The origin of the perfect absorption is investigated using the impedance matching and critical coupling phenomenon. We calculate the effective impedance of the perfect absorber and confirm the matching with the free space impedance. We also investigate the scattering properties of the top antenna layer and confirm the minimized reflection at resonance wavelengths by calculating the absorption and scattering cross sections. The excitation of plasmonic resonances boost the near-field intensity by three orders of magnitude which enhances the interaction between the metamaterial surface and the incident energy. The refractive index sensitivity of the perfect absorber could go as high as S=500 nm/RIU. The presented optical characteristics make the proposed narrow-band multi-resonant perfect absorber a favorable platform for biosensing and contrast agent based bioimaging.
Investigation of Failure Mechanisms in Ceramic Composites as Potential Railway Brake Disc Materials
Authors: Kim Jeongguk
Published: November 2020

Ceramic composite materials have been efficiently used for high-temperature structural applications with improved toughness by complementing the shortcomings of monolithic ceramics. In this study, the fracture characteristics and fracture mechanisms of ceramic composite materials were studied. The ceramic composite material used in this study is Nicalon ceramic fiber reinforced ceramic matrix composites. The tensile failure behavior of two types of ceramic composites with different microstructures, namely, plain-weave and cross-ply composites, was studied. Tensile tests were performed on two types of ceramic composite material specimens. Microstructure analysis using SEM was performed to find out the relationship between tensile fracture characteristics and microstructure. It was found that there was a difference in the fracture mechanism according to the characteristics of each microstructure. In this study, the results of tensile tests, failure modes, failure characteristics, and failure mechanisms were analyzed in detail for two fabric structures, namely, plain-weave and cross-ply structures, which are representative of ceramic matrix composites. In order to help understanding of the fracture process and mechanism, the fracture initiation, crack propagation, and fracture mechanism of each composite material are schematically expressed in a two-dimensional figure. Through these results, it is intended to provide useful information for the design of ceramic composite materials based on the mechanistic understanding of the fracture process of ceramic composite materials.
Effects of Build Direction on the Mechanical Properties of a Martensitic Stainless Steel Fabricated by Selective Laser Melting
Authors: Shen Ling-Chieh , Yang Xi-Huai , Ho Jeng-Rong , Tung Pi-Cheng , Lin Chih-Kuang
Published: November 2020

Mechanical properties and microstructure are investigated for a martensitic stainless steel (AISI 420) fabricated by selective laser melting (SLM) in three build directions. The tensile specimens built by SLM are classified into three groups. Group A is horizontally built in the thickness direction, Group B is horizontally built in the width direction, and Group C is vertically built in the length direction. The loading direction in tensile test is parallel to the build direction of Group C, but perpendicular to that of Groups A and B. Experimental results indicate build direction has significant effects on the residual stress, hardness, and tensile properties of SLM builds. Microstructural analyses indicate the as-fabricated SLM AISI 420 builds exhibit elongated cells and acicular structures which are composed of martensite and retained austenite phases growing along the build direction. Such anisotropy in the microstructure leads to anisotropic mechanical properties as Group C specimens (length direction) exhibit greater yield stress, ultimate tensile stress, and elongation than the specimens of Groups A (thickness direction) and B (width direction). The residual compressive stress in the gauge section also contributes to the superior tensile properties of Group C (length direction), as compared to Groups A (thickness direction) and B (width direction), which exhibit residual tensile stress in the gauge section.
Desorption from Hot Scandate Cathodes: Effects on Vacuum Device Interior Surfaces after Long-Term Operation
Authors: Seif Mujan N. , Balk T. John , Beck Matthew J.
Published: November 2020

Scandate cathodes have exhibited superior emission properties compared to current state-of-the-art “M-type” thermionic cathodes. However, their integration into vacuum devices is limited in part by a lack of knowledge regarding their functional lifespan and behavior during operation. Here, we consider thermal desorption from scandate cathodes by examining the distribution of material deposited on interior surfaces of a sealed vacuum device after ~26,000 h of cathode operation. XPS, EDS, and TEM analyses indicate that on the order of 1 wt.% of the initial impregnate is desorbed during a cathode’s lifetime, Ca does not desorb uniformly with time, and little to no Sc desorbs from the cathode surfaces (or does so at an undetectable rate). Findings from this first-ever study of a scandate cathode after extremely long-time operation yield insight into the utility of scandate cathodes as components in vacuum devices and suggest possible effects on device performance due to deposition of desorption products on interior device surfaces.
Novel Photoreactive Pressure-Sensitive Adhesives (PSA) Based on Acrylics Containing Additionable Photoinitiators
Authors: Czech Zbigniew , Kabatc Janina , Bartkowiak Marcin , Licbarski Adam , Mozelewska Karolina , Kwiatkowska Dominika
Published: November 2020

A new class of additionable ultraviolet photoinitiators that can be used, through addition, for modification of the acrylic polymer chain and their influence of main properties of acrylic pressure-sensitive adhesives (PSAs) is described here. The photoinitiators studied are based on benzophenone, dibenzofuran and anthraquinone chromophores. The propyleneimine carbonyl is the reactive additionable group incorporated in the photoinitiator structure. First, the solvent-borne acrylic pressure-sensitive adhesive was synthesized and characterized. Then, a photoinitiator suitable for addition to the acrylic polymer chain possessing a carboxyl group was added before UV-irradiation. A mechanism of UV-initiated cross-linking reaction of acrylic PSA with additionable photoinitiators was done as well. The influence of the concentration and type of photoinitiator, UV-crosslinking time and UV-dose on peel adhesion, shear strength and tack of solvent-borne acrylic pressure-sensitive adhesives cross-linked by UV light was studied and presented here. It was found that the tack depends on the UV-dose and photoinitiator concentration. An increase of UV dose results in an increase of shear strength of acrylic pressure-sensitive adhesive (PSA) formulations.
Ga-Doped ZnO Nanostructured Powder for Cool-Nanopigment in Environment Applications
Authors: Farha Ashraf H. , Ibrahim Mervat M. , Mansour Shehab A.
Published: November 2020

Gallium (Ga) doped zinc oxide (ZnO) nanocrystals were successfully synthesized via a γ-radiation-assisted polymer-pyrolysis route. Ga doped ZnO samples with Ga and ZnO precursor salts with molar ratios of 0%, 3%, 5%, and 10% were produced. A γ-radiation dosage of 1.5 kGy was used for polymerization initiation during the sample preparation. The properties of the obtained nanocrystal samples were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR), UV-visible absorption, NIR-VIS-UV diffused reflectance, and high-resolution transmission electron microscopy (HR-TEM) characterization techniques. XRD results revealed the formation of ZnO nanocrystals with wurtzite structure for both Ga-doped and undoped ZnO samples. Noticeable increasing in the line broadening of the XRD peaks as well as pronounced decreasing of crystallite size were observed with the increasing Ga ratio in the samples. Optical peaks around Ga:ZnO samples showed a blueshift in the optical absorption peaks with increasing Ga content. These results are in good agreement with the dependency of crystallites size as well as grain size on Ga ratio obtained from XRD and TEM images, which make them fit well for the powder cool-pigment applications. The doped samples showed high values of NIR reflectance (RNIR*) with percentage varied from 84.25% to 89.05% that enabled them to qualify for cool-nanopigment applications. Furthermore, such doped samples registered low values of visible reflectance (RVIS*) that enabled to reduce the glare from the reflected visible sunlight.
Magneto-Rheological Fluid Assisted Abrasive Nanofinishing of β-Phase Ti-Nb-Ta-Zr Alloy: Parametric Appraisal and Corrosion Analysis
Authors: Singh Sunpreet , Prakash Chander , Pramanik Alokesh , Basak Animesh , Shabadi Rajasekhara , Królczyk Grzegorz , Bogdan-Chudy Marta , Babbar Atul
Published: November 2020

The present work explores the potential of magneto-rheological fluid assisted abrasive finishing (MRF-AF) for obtaining precise surface topography of an in-house developed β-phase Ti-Nb-Ta-Zr (TNTZ) alloy for orthopedic applications. Investigations have been made to study the influence of the concentration of carbonyl iron particles (CIP), rotational speed (Nt), and working gap (Gp) in response to material removal (MR) and surface roughness (Ra) of the finished sample using a design of experimental technique. Further, the corrosion performance of the finished samples has also been analyzed through simulated body fluid (SBF) testing. It has been found that the selected input process parameters significantly influenced the observed MR and Ra values at 95% confidence level. Apart from this, it has been found that Gp and Nt exhibited the maximum contribution in the optimized values of the MR and Ra, respectively. Further, the corrosion analysis of the finished samples specified that the resistance against corrosion is a direct function of the surface finish. The morphological analysis of the corroded morphologies indicated that the rough sites of the implant surface have provided the nuclei for corrosion mechanics that ultimately resulted in the shredding of the appetite layer. Overall results highlighted that the MRF-AF is a potential technique for obtaining nano-scale finishing of the high-strength β-phase Ti-Nb-Ta-Zr alloy.
Modelling of High Velocity Impact on Concrete Structures Using a Rate-Dependent Plastic-Damage Microplane Approach at Finite Strains
Authors: Indriyantho Bobby Rio , Zreid Imadeddin , Fleischhauer Robert , Kaliske Michael
Published: November 2020

Concrete is known as a quasi-brittle material and the microplane model has been proven to be a powerful method to describe its constitutive features. For some dynamic cases, however, numerous microplane models used successfully at small strains are not sufficient to predict the nonlinear behaviour of damaged concrete due to large deformations. In this contribution at hand, a combined plasticity-damage microplane model extended to the finite strain framework is formulated and regularised using implicit gradient enhancement to achieve mesh insensitivity and to obtain more stable finite element solutions. A modified smooth three surface Drucker–Prager yield function with caps is introduced within the compression-tension split. Moreover, a viscoplastic consistency formulation is implemented to deliver rate dependency at dynamic cases. In case of penetration into concrete materials, the proposed model is equipped with an element erosion procedure to yield a better approximation of crack patterns. Numerical examples on impact cases are performed to challenge the capability of the newly proposed model to existing experimental data.
Dansyl-Labelled Ag@SiO2 Core-Shell Nanostructures—Synthesis, Characterization, and Metal-Enhanced Fluorescence
Authors: Szczepańska Elżbieta , Synak Anna , Bojarski Piotr , Niedziałkowski Paweł , Wcisło Anna , Ossowski Tadeusz , Grobelna Beata
Published: November 2020

The present work describes synthesis, characterization, and use of a new dansyl-labelled Ag@SiO2 nanocomposite as an element of a new plasmonic platform to enhance the fluorescence intensity. Keeping in mind that typical surface plasmon resonance (SPR) characteristics of silver nanoparticles coincide well enough with the absorption of dansyl molecules, we used them to build the core of the nanocomposite. Moreover, we utilized 10 nm amino-functionalized silica shell as a separator between silver nanoparticles and the dansyl dye to prevent the dye-to-metal energy transfer. The dansyl group was incorporated into Ag@SiO2 core-shell nanostructures by the reaction of aminopropyltrimethoxysilane with dansyl chloride and we characterized the new dansyl-labelled Ag@SiO2 nanocomposite using transmission electron microscopy (TEM) and Fourier-transform infrared spectroscopy (FTIR). Additionally, water wettability measurements (WWM) were carried out to assess the hydrophobicity and hydrophilicity of the studied surface. We found that the nanocomposite deposited on a semitransparent silver mirror strongly increased the fluorescence intensity of dansyl dye (about 87-fold) compared with the control sample on the glass, proving that the system is a perfect candidate for a sensitive plasmonic platform.
Impact on Mechanical Properties and Microstructural Response of Nickel-Based Superalloy GH4169 Subjected to Warm Laser Shock Peening
Authors: Lu Ying , Yang Yuling , Zhao Jibin , Yang Yuqi , Qiao Hongchao , Hu Xianliang , Wu Jiajun , Sun Boyu
Published: November 2020

Laser shock peening (LSP), as an innovative surface treatment technology, can effectively improve fatigue life, surface hardness, corrosion resistance, and residual compressive stress. Compared with laser shock peening, warm laser shock peening (WLSP) is a newer surface treatment technology used to improve materials’ surface performances, which takes advantage of thermal mechanical effects on stress strengthening and microstructure strengthening, resulting in a more stable distribution of residual compressive stress under the heating and cyclic loading process. In this paper, the microstructure of the GH4169 nickel superalloy processed by WLSP technology with different laser parameters was investigated. The proliferation and tangling of dislocations in GH4169 were observed, and the dislocation density increased after WLSP treatment. The influences of different treatments by LSP and WLSP on the microhardness distribution of the surface and along the cross-sectional depth were investigated. The microstructure evolution of the GH4169 alloy being shocked with WLSP was studied by TEM. The effect of temperature on the stability of the high-temperature microstructure and properties of the GH4169 alloy shocked by WLSP was investigated.
Taguchi S/N and TOPSIS Based Optimization of Fused Deposition Modelling and Vapor Finishing Process for Manufacturing of ABS Plastic Parts
Authors: Chohan Jasgurpreet Singh , Kumar Raman , Singh TH Bhatia , Singh Sandeep , Sharma Shubham , Singh Jujhar , Mia Mozammel , Pimenov Danil Yurievich , Chattopadhyaya Somnath , Dwivedi Shashi Prakash , Kapłonek Wojciech
Published: November 2020

Despite several additive manufacturing techniques are commercially available in market, Fused Deposition Modeling (FDM) is increasingly used by researchers and engineers for new product development. FDM is an established process with a plethora of advantages, but the visible surface roughness (SR), being an intrinsic limitation, is major barrier against utilization of fabricated parts for practical applications. In the present study, the chemical finishing method, using vapour of acetone mixed with heated air, is being used. The combined impact of orientation angle, finishing temperature and finishing time has been studied using Taguchi and ANOVA, whereas multi-criteria optimization is performed using the Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS). The surface finish was highly responsive to increase in temperature while orientation angle of 0° yielded maximum strength; increase in finishing time led to weight gain of FDM parts. As the temperature increases, the percentage change in surface roughness increases as higher temperature assists the melt down process. On the other hand, anisotropic behaviour plays a major role during tensile testing. The Signal-to-noise (S/N) ratio plots, and ANOVA results indicated that surface finish is directly proportionate to finishing time because a longer exposure results in complete layer reflowing and settlement.
Adjusting the Morphology and Properties of SiC Nanowires by Catalyst Control
Authors: Guo Chuchu , Cheng Laifei , Ye Fang , Zhang Qing
Published: November 2020

We report on the growth of SiC nanowires on a single crystal Si substrate by pyrolysis of polycarbosilane and using two catalyst (Al2O3 and Ni) films with different thickness (2, 4, and 6 nm). The catalyst films were deposited on the Si substrate, and the SiC nanowires were grown according to two mechanisms, i.e., the oxide-assisted growth mechanism and vapor- liquid-solid mechanism. As a result, pearl-chain-like SiC nanowires and straight SiC nanowires were obtained. The prepared nanowires exhibited excellent photoluminescence properties, emission spectra displaying two emission peaks at 395 and 465 nm, and have good thermal stability below 1000 °C. The experimental results revealed the importance of the catalyst in controlling the morphology and properties of SiC nanowires.
Research on the Development of Technologies for the Production of Granulated Activated Carbons Using Various Binders
Authors: Skoczko Iwona , Guminski Remigiusz
Published: November 2020

Activated carbons (ACs) are processed carbon-rich materials with a highly developed inner surface and significant porosity used for different media treatment in municipal and industrial plants. Activated carbon may be manufactured as powdered activated carbon (PAC), gritty activated carbon (in a form of raw angels grains) or granulated activated carbon (GAC). The production of the GAC is based on carbonaceous raw materials and various types of binders. The carbon mass is mixed with the binder and formed in cylindrical granules. The binder’s recognition is in a scientific literature side-topic and still needs wider examination. For many years GAC production have been concentrated on the possibility of using sodium carboxymethylcellulose (SCMC). Therefore, the aim of the research was to develop a new binder, in the available technology of granulated activated carbon production. Such binders were tested such as: tall oil (TO), sugar beet molasses (SBM), sodium carboxymethylcellulose (SCMC), SCMC using a verified technological process and SCMC with the addition of gas tar (GT). The conducted research shows that all the quality requirements were met by activated carbons with SBM as a binder. Additionally they showed very high adsorption properties. The manufacturing process was shorter in comparison to other tested binders and more efficient.
Application of Photocatalytic Concrete Paving Blocks in Poland—Verification of Effectiveness of Nitric Oxides Reduction and Novel Test Method
Authors: Witkowski Hubert , Jarosławski Janusz , Tryfon-Bojarska Anna
Published: November 2020

Photocatalytic concrete is one of the most promising concrete technologies of the past decades. Application of nanometric TiO2 to cement matrices enables the reduction of harmful airborne pollutants. Although a number of implementations of this technology are described in this paper, problems related to test conditions are also reported. One major issue is the sufficient light irradiation that for higher latitudes can be significantly reduced. In this paper, a field campaign on the implementation of photocatalytic concrete pavement in Warsaw (52.23° N) is briefly described. Based on experience from the field campaign, a novel test method is developed. In the research, the effectiveness of nitric oxide reduction is verified at natural light irradiation for various dates of solar position at noon in central Poland (51.83° N). The results confirm the benefits of using photocatalytic materials at higher latitudinal locations. The experimental setup presented in the study combines the advantages of controlled measurement conditions typical in laboratory tests with the possibility of including natural sunlight conditions in the investigation process.
Surface Properties of Poly(Hydroxyurethane)s Based on Five-Membered Bis-Cyclic Carbonate of Diglycidyl Ether of Bisphenol A
Authors: Tryznowski Mariusz , Żołek-Tryznowska Zuzanna
Published: November 2020

Poly(hydroxyurethane)s (PHU) are alternatives for conventional polyurethanes due to the use of bis-cyclic dicarbonates and diamines instead of harmful and toxic isocyanates. However, the surface properties of poly(hydroxyurethane)s are not well known. In this work, we focus on the analysis of the surface properties of poly(hydroxyurethane) coatings. Poly(hydroxyurethane)s were obtained by a catalyst-free method from commercially available carbonated diglycidyl ether of bisphenol A (Epidian 6 epoxy resins) and various diamines: ethylenediamine, trimethylenediamine, putrescine, hexamethylenediamine, 2,2,4(2,4,4)-trimethyl-1,6-hexanediamine, m-xylylenediamine, 1,8-diamino-3,6-dioxaoctane, 4,7,10-trioxa-1,13-tridecanediamine, and isophorone diamine, using a non-isocyanate route. The structures of the obtained polymers were confirmed by FT-IR, 1H NMR and 13C NMR spectroscopy, and thermogravimetric (TGA) and differential scanning calorimetry (DSC) analyses were performed. The rheological characteristic of the obtained polymers is presented. The static contact angles of water, diidomethane, and formamide, deposited on PHU coatings, were measured. From the measured contact angles, the surface free energy was calculated using two different approaches: Owens–Wendt and van Oss–Chaudhury–Good. Moreover, the wetting envelopes of PHU coatings were plotted, which enables the prediction of the wetting effect of various solvents. The results show that in the investigated coatings, a mainly dispersive interaction occurs.
The Influence of Superabsorbent Polymers and Nanosilica on the Hydration Process and Microstructure of Cementitious Mixtures
Authors: Lefever Gerlinde , Aggelis Dimitrios G. , De Belie Nele , Raes Marc , Hauffman Tom , Van Hemelrijck Danny , Snoeck Didier
Published: November 2020

Superabsorbent polymers (SAPs) are known to mitigate the development of autogenous shrinkage in cementitious mixtures with a low water-to-cement ratio. Moreover, the addition of SAPs promotes the self-healing ability of cracks. A drawback of using SAPs lies in the formation of macropores when the polymers release their absorbed water, leading to a reduction of the mechanical properties. Therefore, a supplementary material was introduced together with SAPs, being nanosilica, in order to obtain an identical compressive strength with respect to the reference material without additives. The exact cause of the similar compressive behaviour lies in the modification of the hydration process and subsequent microstructural development by both SAPs and nanosilica. Within the present study, the effect of SAPs and nanosilica on the hydration progress and the hardened properties is assessed. By means of isothermal calorimetry, the hydration kinetics were monitored. Subsequently, the quantity of hydration products formed was determined by thermogravimetric analysis and scanning electron microscopy, revealing an increased amount of hydrates for both SAP and nanosilica blends. An assessment of the pore size distribution was made using mercury intrusion porosimetry and demonstrated the increased porosity for SAP mixtures. A correlation between microstructure and the compressive strength displayed its influence on the mechanical behaviour.
Meshless Analysis of Nonlocal Boundary Value Problems in Anisotropic and Inhomogeneous Media
Authors: Zaheer-ud-Din  , Ahsan Muhammad , Ahmad Masood , Khan Wajid , Mahmoud Emad E. , Abdel-Aty Abdel-Haleem
Published: November 2020

In this work, meshless methods based on a radial basis function (RBF) are applied for the solution of two-dimensional steady-state heat conduction problems with nonlocal multi-point boundary conditions (NMBC). These meshless procedures are based on the multiquadric (MQ) RBF and its modified version (i.e., integrated MQ RBF). The meshless method is extended to the NMBC and compared with the standard collocation method (i.e., Kansa’s method). In extended methods, the interior and the boundary solutions are approximated with a sum of RBF series, while in Kansa’s method, a single series of RBF is considered. Three different sorts of solution domains are considered in which Dirichlet or Neumann boundary conditions are specified on some part of the boundary while the unknown function values of the remaining portion of the boundary are related to a discrete set of interior points. The influences of NMBC on the accuracy and condition number of the system matrix associated with the proposed methods are investigated. The sensitivity of the shape parameter is also analyzed in the proposed methods. The performance of the proposed approaches in terms of accuracy and efficiency is confirmed on the benchmark problems.
Multiple Hungarian Method for k-Assignment Problem
Authors: Gabrovšek Boštjan , Novak Tina , Povh Janez , Rupnik Poklukar Darja , Žerovnik Janez
Published: November 2020

The k-assignment problem (or, the k-matching problem) on k-partite graphs is an NP-hard problem for k≥3. In this paper we introduce five new heuristics. Two algorithms, Bm and Cm, arise as natural improvements of Algorithm Am from (He et al., in: Graph Algorithms And Applications 2, World Scientific, 2004). The other three algorithms, Dm, Em, and Fm, incorporate randomization. Algorithm Dm can be considered as a greedy version of Bm, whereas Em and Fm are versions of local search algorithm, specialized for the k-matching problem. The algorithms are implemented in Python and are run on three datasets. On the datasets available, all the algorithms clearly outperform Algorithm Am in terms of solution quality. On the first dataset with known optimal values the average relative error ranges from 1.47% over optimum (algorithm Am) to 0.08% over optimum (algorithm Em). On the second dataset with known optimal values the average relative error ranges from 4.41% over optimum (algorithm Am) to 0.45% over optimum (algorithm Fm). Better quality of solutions demands higher computation times, thus the new algorithms provide a good compromise between quality of solutions and computation time.
Laser Powder Bed Fusion of NiTiHf High-Temperature Shape Memory Alloy: Effect of Process Parameters on the Thermomechanical Behavior
Authors: Nematollahi Mohammadreza , Toker Guher P. , Safaei Keyvan , Hinojos Alejandro , Saghaian S. Ehsan , Benafan Othmane , Mills Michael J. , Karaca Haluk , Elahinia Mohammad
Published: November 2020

Laser powder bed fusion has been widely investigated for shape memory alloys, primarily NiTi alloys, with the goal of tailoring microstructures and producing complex geometries. However, processing high temperature shape memory alloys (HTSMAs) remains unknown. In our previous study, we showed that it is possible to manufacture NiTiHf HTSMA, as one of the most viable alloys in the aerospace industry, using SLM and investigated the effect of parameters on defect formation. The current study elucidates the effect of process parameters (PPs) on the functionality of this alloy. Shape memory properties and the microstructure of additively manufactured Ni-rich NiTiHf alloys were characterized across a wide range of PPs (laser power, scanning speed, and hatch spacing) and correlated with energy density. The optimum laser parameters for defect-free and functional samples were found to be in the range of approximately 60–100 J/mm3. Below an energy density of 60 J/mm3, porosity formation due to lack-of-fusion is the limiting factor. Samples fabricated with energy densities of 60–100 J/mm3 showed comparable thermomechanical behavior in comparison with the starting as-cast material, and samples fabricated with higher energy densities (>100 J/mm3) showed very high transformation temperatures but poor thermomechanical behavior. Poor properties for samples with higher energies were mainly attributed to the excessive Ni loss and resultant change in the chemical composition of the matrix, as well as the formation of cracks and porosities. Although energy density was found to be an important factor, the outcome of this study suggests that each of the PPs should be selected carefully. A maximum actuation strain of 1.67% at 400 MPa was obtained for the sample with power, scan speed, and hatch space of 100 W, 400 mm/s, and 140 µm, respectively, while 1.5% actuation strain was obtained for the starting as-cast ingot. These results can serve as a guideline for future studies on optimizing PPs for fabricating functional HTSMAs.
Health Effects of Grape Seed and Skin Extracts and Their Influence on Biochemical Markers
Authors: Sochorova Lenka , Prusova Bozena , Cebova Martina , Jurikova Tunde , Mlcek Jiri , Adamkova Anna , Nedomova Sarka , Baron Mojmir , Sochor Jiri
Published: November 2020

This review is focused on the study of the effects of grape seed and skin extract (GSSE) on human health. GSSE contains high concentrations of important polyphenolic substances with high biological activity. This review is a summary of studies that investigate the effects of GSSE on diabetes mellitus, cardiovascular disease and cancer, its neuroprotective effect, and its effects on the gastrointestinal tract and other health complications related to these diseases. The results of the studies confirm that the anti-inflammatory, antiapoptotic, and pro-proliferative effects of “Vitis vinifera L.” seed extract reduce the level of oxidative stress and improve the overall lipid metabolism.
Monitoring Methylmalonic Aciduria by NMR Urinomics
Authors: Nicolescu Alina , Blanita Daniela , Boiciuc Chiril , Hlistun Victoria , Cristea Mihaela , Rotaru Dorina , Pinzari Ludmila , Oglinda Ana , Stamati Adela , Tarcomnicu Isabela , Tutulan-Cunita Andreea , Stambouli Danae , Gladun Sergiu , Revenco Ninel , Uşurelu Natalia , Deleanu Calin
Published: November 2020

The paper reports on monitoring methylmalonic aciduria (MMA)-specific and non-specific metabolites via NMR urinomics. Five patients have been monitored over periods of time; things involved were diet, medication and occasional episodes of failing to comply with prescribed diets. An extended dataset of targeted metabolites is presented, and correlations with the type of MMA are underlined. A survey of previous NMR studies on MMA is also presented.
Ultrasound-Assisted Hydrodistillation of Essential Oil from Celery Seeds (Apium graveolens L.) and Its Biological and Aroma Profiles
Authors: Zorga Justyna , Kunicka-Styczyńska Alina , Gruska Radosław , Śmigielski Krzysztof
Published: November 2020

The aim of the research was to increase the efficiency of the hydrodistillation process and determine the volatile composition, biological activity, and aroma profile of essential oil from celery seeds (Apium graveolens L.). The essential oil was extracted from the plant material by ultrasonic hydrodistillation with higher efficiency when compared with classical hydrodistillation. The antimicrobial activity was evaluated using the impedimetric method for the bacteria Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis, Staphylococcus aureus, and yeast Candida vini as well as moulds Aspergillus niger and Penicillium expansum with minimal inhibitory concentration (MIC) (μL/mL) values: 30, 10, 20, 3, 30, 40, and 40, respectively. The oil possessed very weak 2,2-diphenyl-1-picrylhydrazyl (DPPH) antioxidant activity with the half maximal inhibitory concentration (IC50) value of 81.6 g/L. Initial studies of the aroma profile indicated that the perception of the fragrance of the oil could be related to the sex of the panellists. According to women, the fragrance of celery seeds oil was intense herb-like. From the men’s point of view, it had a fresh, mossy, and mushroom scent.
Study on the Influence of Chirality in the Threading of Calix[6]arene Hosts with Dialkylammonium Axles
Authors: Talotta Carmen , Concilio Gerardo , Della Sala Paolo , Gaeta Carmine , Schalley Christoph A. , Neri Placido
Published: November 2020

The influence of chirality in calixarene threading has been studied by exploiting the “superweak anion approach”. In particular, the formation of chiral pseudo[2]rotaxanes bearing a classical stereogenic center in their axle and/or wheel components has been considered. Two kind of pseudo[2]rotaxane stereoadducts, the “endo-chiral” and “exo-chiral” ones, having the stereogenic center of a cationic axle inside or outside, respectively, the calix-cavity of a chiral calixarene were preferentially formed with specifically designed chiral axles by a fine exploitation of the so-called “endo-alkyl rule” and a newly defined “endo-α-methyl-benzyl rule” (threading of a hexaalkoxycalix[6]arene with a directional (α-methyl-benzyl)benzylammonium axle occurs with an endo-α-methyl-benzyl preference). The obtained pseudorotaxanes were studied in solution by 1D and 2D NMR, and in the gas-phase by means of the enantiomer-labeled (EL) mass spectrometry method, by combining enantiopure hosts with pseudoracemates of one deuterated and one unlabeled chiral axle enantiomer. In both instances, there was not a clear enantiodiscrimination in the threading process with the studied host/guest systems. Possible rationales are given to explain the scarce reciprocal influence between the guest and host chiral centers.
A Geometric Definition of Short to Medium Range Hydrogen-Mediated Interactions in Proteins
Authors: Merski Matthew , Skrzeczkowski Jakub , Roth Jennifer K. , Górna Maria W.
Published: November 2020

We present a method to rapidly identify hydrogen-mediated interactions in proteins (e.g., hydrogen bonds, hydrogen bonds, water-mediated hydrogen bonds, salt bridges, and aromatic π-hydrogen interactions) through heavy atom geometry alone, that is, without needing to explicitly determine hydrogen atom positions using either experimental or theoretical methods. By including specific real (or virtual) partner atoms as defined by the atom type of both the donor and acceptor heavy atoms, a set of unique angles can be rapidly calculated. By comparing the distance between the donor and the acceptor and these unique angles to the statistical preferences observed in the Protein Data Bank (PDB), we were able to identify a set of conserved geometries (15 for donor atoms and 7 for acceptor atoms) for hydrogen-mediated interactions in proteins. This set of identified interactions includes every polar atom type present in the Protein Data Bank except OE1 (glutamate/glutamine sidechain) and a clear geometric preference for the methionine sulfur atom (SD) to act as a hydrogen bond acceptor. This method could be readily applied to protein design efforts.
Larvicide Activity on Aedes aegypti of Essential Oil Nanoemulsion from the Protium heptaphyllum Resin
Authors: Faustino Cleidjane Gomes , de Medeiros Fernando Antônio , Ribeiro Galardo Allan Kardec , Lobato Rodrigues Alex Bruno , Lopes Martins Rosany , de Medeiros Souza Lima Yuri , Fechine Tavares Josean , Alves de Medeiros Marcos Antônio , dos Santos Cruz Jader , Almeida Sheylla Susan Moreira da Silva de
Published: November 2020

The aim of this work was to prepare a nanoemulsion containing the essential oil of Protium heptaphyllum resin and to evaluate the larvicidal activity and the residual larvicidal effect against Aedes aegypti. The essential oil was identified by gas chromatography coupled to a mass spectrometer, and the nanoemulsions were prepared using a low-energy method and characterized by photon correlation spectroscopy. The results indicated the major constituents as p-cimene (27.70%) and α-Pinene (22.31%). Nanoemulsions had kinetic stability and a monomodal distribution in a hydrophilic-lipophilic balance of 14 with particle diameters of 115.56 ± 1.68 nn and zeta potential of −29.63 ± 3.46 mV. The nanoemulsion showed larvicidal action with LC50 = 2.91 µg∙mL−1 and residual larvicidal effect for 72 h after application to A. aegypti larvae. Consequently, the nanobiotechnological product derived from the essential oil of P. heptaphyllum resin could be used against infectious disease vectors.
Searching Hit Potential Antimicrobials in Natural Compounds Space against Biofilm Formation
Authors: Pestana-Nobles Roberto , Leyva-Rojas Jorge A. , Yosa Juvenal
Published: November 2020

Biofilms are communities of microorganisms that can colonize biotic and abiotic surfaces and thus play a significant role in the persistence of bacterial infection and resistance to antimicrobial. About 65% and 80% of microbial and chronic infections are associated with biofilm formation, respectively. The increase in infections by multi-resistant bacteria instigates the need for the discovery of novel natural-based drugs that act as inhibitory molecules. The inhibition of diguanylate cyclases (DGCs), the enzyme implicated in the synthesis of the second messenger, cyclic diguanylate (c-di-GMP), involved in the biofilm formation, represents a potential approach for preventing the biofilm development. It has been extensively studied using PleD protein as a model of DGC for in silico studies as virtual screening and as a model for in vitro studies in biofilms formation. This study aimed to search for natural products capable of inhibiting the Caulobacter crescentus enzyme PleD. For this purpose, 224,205 molecules from the natural products ZINC15 database, have been evaluated through molecular docking and molecular dynamic simulation. Our results suggest trans-Aconitic acid (TAA) as a possible starting point for hit-to-lead methodologies to obtain new inhibitors of the PleD protein and hence blocking the biofilm formation.
Revisiting the Formation of a Native Disulfide Bond: Consequences for Protein Regeneration and Beyond
Authors: Narayan Mahesh
Published: November 2020

Oxidative protein folding involves the formation of disulfide bonds and the regeneration of native structure (N) from the fully reduced and unfolded protein (R). Oxidative protein folding studies have provided a wealth of information on underlying physico-chemical reactions by which disulfide-bond-containing proteins acquire their catalytically active form. Initially, we review key events underlying oxidative protein folding using bovine pancreatic ribonuclease A (RNase A), bovine pancreatic trypsin inhibitor (BPTI) and hen-egg white lysozyme (HEWL) as model disulfide bond-containing folders and discuss consequential outcomes with regard to their folding trajectories. We re-examine the findings from the same studies to underscore the importance of forming native disulfide bonds and generating a “native-like” structure early on in the oxidative folding pathway. The impact of both these features on the regeneration landscape are highlighted by comparing ideal, albeit hypothetical, regeneration scenarios with those wherein a native-like structure is formed relatively “late” in the R→N trajectory. A special case where the desired characteristics of oxidative folding trajectories can, nevertheless, stall folding is also discussed. The importance of these data from oxidative protein folding studies is projected onto outcomes, including their impact on the regeneration rate, yield, misfolding, misfolded-flux trafficking from the endoplasmic reticulum (ER) to the cytoplasm, and the onset of neurodegenerative disorders.