bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of Epitopes on Rhinovirus 89 Capsid Proteins Capable of Inducing Neutralizing Antibodies
Authors: Niespodziana Katarzyna , Cabauatan Clarissa R. , Pazderova Petra , Vacal Phyllis C. , Wortmann Judith , Keller Walter , Errhalt Peter , Valenta Rudolf
Published: May 2022

Rhinoviruses (RVs) are major causes of the common cold, but they can also trigger exacerbations of asthma. More than 160 different RV strains exist and can be classified into three genetic species (RV-A, RV-B and RV-C) which bind to different receptors on human cells including intracellular adhesion molecule 1 (ICAM-1), the low-density lipoprotein receptor (LDLR) or the cadherin-related family member 3 (CDHR3). Epitopes located in the RV capsid have mainly been determined for RV2, a minor-group RV-A strain binding to LDLR, and for RV14, a major-group RV-B strain binding to ICAM-1. In order to study epitopes involved in the neutralization of RV89, an ICAM-1-binding RV-A strain which is highly different from RV2 and RV14 in terms of receptor specificity and sequence, respectively, we analyzed the specificity and epitopes of a highly neutralizing antiserum using recombinantly produced RV89 capsid proteins (VP1, VP2, VP3 and VP4), recombinant fragments and synthetic overlapping peptides thereof. We found that the antiserum which neutralized in vitro RV89 infection up to a dilution of 1:24,000 reacted with the capsid proteins VP1 and VP2 but not with VP3 and VP4. The neutralizing antibodies recognized recombinant fragments comprising approximately 100 amino acids of the N- and C-terminus of VP1 and the middle part of VP2, in particular, three peptides which, according to molecular modeling based on the three-dimensional structure of RV16, were surface-exposed on the viral capsid. Two recombinant fusion proteins containing the identified peptides fused to hepatitis B (HBV)-derived preS as a carrier protein induced upon immunization of rabbits antibodies capable of neutralizing in vitro RV89 infections. Interestingly, the virus-neutralizing epitopes determined for RV89 corresponded to those determined for minor-group RV2 binding to LDL and major-group RV14 belonging to the RV-B species, which are highly different from RV89. Our results indicate that highly different RV strains, even when reacting with different receptors, seem to engage similar parts of their capsid in the infection process. These results may be important for the design of active and passive immunization strategies for RV.
Quantitative Systems Pharmacology and Biased Agonism at Opioid Receptors: A Potential Avenue for Improved Analgesics
Authors: Bedini Andrea , Cuna Elisabetta , Baiula Monica , Spampinato Santi
Published: May 2022

Chronic pain is debilitating and represents a significant burden in terms of personal and socio-economic costs. Although opioid analgesics are widely used in chronic pain treatment, many patients report inadequate pain relief or relevant adverse effects, highlighting the need to develop analgesics with improved efficacy/safety. Multiple evidence suggests that G protein-dependent signaling triggers opioid-induced antinociception, whereas arrestin-mediated pathways are credited with modulating different opioid adverse effects, thus spurring extensive research for G protein-biased opioid agonists as analgesic candidates with improved pharmacology. Despite the increasing expectations of functional selectivity, translating G protein-biased opioid agonists into improved therapeutics is far from being fully achieved, due to the complex, multidimensional pharmacology of opioid receptors. The multifaceted network of signaling events and molecular processes underlying therapeutic and adverse effects induced by opioids is more complex than the mere dichotomy between G protein and arrestin and requires more comprehensive, integrated, network-centric approaches to be fully dissected. Quantitative Systems Pharmacology (QSP) models employing multidimensional assays associated with computational tools able to analyze large datasets may provide an intriguing approach to go beyond the greater complexity of opioid receptor pharmacology and the current limitations entailing the development of biased opioid agonists as improved analgesics.
NMR Relaxometry Accessing the Relaxation Spectrum in Molecular Glass Formers
Authors: Becher Manuel , Lichtinger Anne , Minikejew Rafael , Vogel Michael , Rössler Ernst A.
Published: May 2022

It is a longstanding question whether universality or specificity characterize the molecular dynamics underlying the glass transition of liquids. In particular, there is an ongoing debate to what degree the shape of dynamical susceptibilities is common to various molecular glass formers. Traditionally, results from dielectric spectroscopy and light scattering have dominated the discussion. Here, we show that nuclear magnetic resonance (NMR), primarily field-cycling relaxometry, has evolved into a valuable method, which provides access to both translational and rotational motions, depending on the probe nucleus. A comparison of 1H NMR results indicates that translation is more retarded with respect to rotation for liquids with fully established hydrogen-bond networks; however, the effect is not related to the slow Debye process of, for example, monohydroxy alcohols. As for the reorientation dynamics, the NMR susceptibilities of the structural (α) relaxation usually resemble those of light scattering, while the dielectric spectra of especially polar liquids have a different broadening, likely due to contributions from cross correlations between different molecules. Moreover, NMR relaxometry confirms that the excess wing on the high-frequency flank of the α-process is a generic relaxation feature of liquids approaching the glass transition. However, the relevance of this feature generally differs between various methods, possibly because of their different sensitivities to small-amplitude motions. As a major advantage, NMR is isotope specific; hence, it enables selective studies on a particular molecular entity or a particular component of a liquid mixture. Exploiting these possibilities, we show that the characteristic Cole–Davidson shape of the α-relaxation is retained in various ionic liquids and salt solutions, but the width parameter may differ for the components. In contrast, the low-frequency flank of the α-relaxation can be notably broadened for liquids in nanoscopic confinements. This effect also occurs in liquid mixtures with a prominent dynamical disparity in their components.
Urocortin-1 Is Chondroprotective in Response to Acute Cartilage Injury via Modulation of Piezo1
Authors: Jones Rebecca C. , Lawrence Kevin M. , Higgins Scott M. , Richardson Stephen M. , Townsend Paul A.
Published: May 2022

Post-traumatic OA (PTOA) is often triggered by injurious, high-impact loading events which result in rapid, excessive chondrocyte cell death and a phenotypic shift in residual cells toward a more catabolic state. As such, the identification of a disease-modifying OA drug (DMOAD) that can protect chondrocytes from death following impact injury, and thereby prevent cartilage degradation and progression to PTOA, would offer a novel intervention. We have previously shown that urocortin-1 (Ucn) is an essential endogenous pro-survival factor that protects chondrocytes from OA-associated pro-apoptotic stimuli. Here, using a drop tower PTOA-induction model, we demonstrate the extent of Ucn’s chondroprotective role in cartilage explants exposed to excessive impact load. Using pathway-specific agonists and antagonists, we show that Ucn acts to block load-induced intracellular calcium accumulation through blockade of the non-selective cation channel Piezo1 rather than TRPV4. This protective effect is mediated primarily through the Ucn receptor CRF-R1 rather than CRF-R2. Crucially, we demonstrate that the chondroprotective effect of Ucn is maintained whether it is applied pre-impact or post-impact, highlighting the potential of Ucn as a novel DMOAD for the prevention of injurious impact overload-induced PTOA.
Development, Survival and Reproduction of Spodoptera frugiperda (Lepidoptera: Noctuidae) Fed an Artificial Diet or on Cotton, Castor Bean and Corn Leaves
Authors: Ramos Ruth da Silva , Silva Carlos Alberto Domingues da , Lima Tardelly de Andrade , Albuquerque Junior Paulo de Souza , Castellani Maria Aparecida , Serrão José Eduardo , Zanuncio José Cola
Published: May 2022

The polyphagy of Spodoptera frugiperda (Lepidoptera: Noctuidae) renders its control difficult because variations in the phenology of host plants grown in different seasons of the year and near each other can facilitate the movement of this pest between crops. The objective of this work was to examine certain biological characteristics of S. frugiperda fed on an artificial diet or on cotton, castor bean, or corn leaves. The experimental design was in randomized blocks, with four treatments represented by S. frugiperda caterpillars fed an artificial diet (T1) or pieces of cotton (T2), castor bean (T3) or corn (T4) leaves with five replications (five caterpillars per replication). The duration and survival of the egg, larva, pre-pupa, pupa and egg-adult period and the reproductive characteristics of this insect were determined. The survival, development and reproduction data of S. frugiperda originated from individuals reared with cotton and castor bean leaves were lower than those fed on corn leaves or an artificial diet. The number of nonviable eggs laid by females originated from caterpillars fed on castor bean leaves was higher than those fed on cotton and corn leaves or an artificial diet. The very higher number of unviable S. frugiperda eggs resulting from castor leaves can reduce outbreaks of this pest in cotton and corn crops after the cultivation of that plant, or by intercropping with this plant, in the main producing regions of Brazil.
The Utility of Pentraxin and Modified Prognostic Scales in Predicting Outcomes of Patients with End-Stage Heart Failure
Authors: Szczurek-Wasilewicz Wioletta , Skrzypek Michał , Romuk Ewa , Gąsior Mariusz , Szyguła-Jurkiewicz Bożena
Published: May 2022

Risk stratification is an important element of management in patients with heart failure (HF). We aimed to determine factors associated with predicting outcomes in end-stage HF patients listed for heart transplantation (HT), with particular emphasis placed on pentraxin-3 (PXT-3). In addition, we investigated whether the combination of PTX-3 with the Heart Failure Survival Score (HFSS), the Seattle Heart Failure Model (SHFM), or the Meta-Analysis Global Group in Chronic Heart Failure (MAGGIC) improved the prognostic strength of these scales in the study population. We conducted a prospective analysis of 343 outpatients with end-stage HF who accepted the HT waiting list between 2015 and 2018. HFSS, SHFM, and MAGGIC scores were calculated for all patients. PTX3 was measured by sandwich enzyme-linked immunosorbent assay with a commercially available kit. The endpoints were death, left ventricular assist device implantation, and HT during the one-year follow-up. The median age was 56 (50–60) years, and 86.6% were male. During the follow-up period, 173 patients reached the endpoint. Independent risk factors associated with outcomes were ischemic etiology of HF [HR 1.731 (1.227–2.441), p = 0.0018], mean arterial pressure (MAP) [1.026 (1.010–1.042), p = 0.0011], body mass index (BMI) [1.055 (1.014–1.098), p = 0.0083], sodium [1.056 [(1.007–1.109), p = 0.0244] PTX-3 [1.187 (1.126–1.251, p < 0.0001) and N-terminal pro-brain natriuretic peptide (NT-proBNP) [HR 1.004 (1.000–1.008), p = 0.0259]. The HFSS-PTX-3, SHFM-PTX-3 and MAGGIC-PTX-3 scores had significantly higher predictive power [AUC = 0.951, AUC = 0.973; AUC = 0.956, respectively] than original scores [AUC for HFSS = 0.8481, AUC for SHFM = 0.7976, AUC for MAGGIC = 0.7491]. Higher PTX-3 and NT-proBNP concentrations, lower sodium concentrations, lower MAP and BMI levels, and ischemic etiology of HF are associated with worse outcomes in patients with end-stage HF. The modified SHFM-PTX-3, HFSS-PTX-3, and MAGGIC-PTX-3 scores provide effective methods of assessing the outcomes in the analyzed group.
Left Ventricular Assist Devices: A Primer for the Non-Mechanical Circulatory Support Provider
Authors: Troutman Gregory S. , Genuardi Michael V.
Published: May 2022

Survival after implant of a left ventricular assist device (LVAD) continues to improve for patients with end-stage heart failure. Meanwhile, more patients are implanted with a destination therapy, rather than bridge-to-transplant, indication, meaning the population of patients living long-term on LVADs will continue to grow. Non-LVAD healthcare providers will encounter such patients in their scope of practice, and familiarity and comfort with the physiology and operation of these devices and common problems is essential. This review article describes the history, development, and operation of the modern LVAD. Common LVAD-related complications such as bleeding, infection, stroke, and right heart failure are reviewed and an approach to the patient with an LVAD is suggested. Nominal operating parameters and device response to various physiologic conditions, including hypo- and hypervolemia, hypertension, and device failure, are reviewed.
Joined Efficiency and Productivity Evaluation of Tunisian Commercial Seaports Using DEA-Based Approaches
Authors: Ben Mabrouk Mohsen , Elmsalmi Manel , Aljuaid Awad M. , Hachicha Wafik , Hammami Sami
Published: May 2022

Seaports are important infrastructures to support international trade. Therefore, it is vital that port efficiency and productivity are continuously evaluated and improved. In this context, the objective of this article is to evaluate both the technical efficiency and the change in productivity of the six most important Tunisian commercial seaports, Bizerte, Rades, Sousse, Sfax, Gabes, and Zarzis, over a period of twelve years from 2005 to 2016. To achieve this objective, the data envelopment analysis (DEA) method is applied. The first output-oriented DEA application is about efficiency evaluation, which, for each seaport, allows the estimation of overall technical efficiency, pure technical efficiency, and scale efficiency. The second application concerns the evolution of the productivity of Tunisian seaports during the study period using the Malmquist DEA-based productivity index. The productivity analysis is performed according to the year (period) and according to each studied seaport. The first output-oriented DEA method provides that the overall technical efficiency in the above-mentioned ports is 69.4% while the pure technical efficiency is 83.3%. Furthermore, the average scale efficiency is about 82.6%, which implies that the decreasing type of returns to scale dominates in this study. Regarding the second DEA application for productivity evolution, the obtained results from the data analysis revealed that it fell by 6.7%, mainly due to the degradation of the technological change (8.3%). The results obtained provide useful basic criteria for establishing efficiency improvement strategies for each studied seaport.
Association of Genetic Polymorphisms with Complications of Implanted LVAD Devices in Patients with Congestive Heart Failure: A Kazakhstani Study
Authors: Zhalbinova Madina R. , Rakhimova Saule E. , Kozhamkulov Ulan A. , Akilzhanova Gulbanu A. , Kaussova Galina K. , Akilzhanov Kenes R. , Pya Yuriy V. , Lee Joseph H. , Bekbossynova Makhabbat S. , Akilzhanova Ainur R.
Published: May 2022

The left ventricular assist device (LVAD) is one of the alternative treatments for heart failure (HF) patients. However, LVAD support is followed by thrombosis, and bleeding complications which are caused by high non-physiologic shear stress and antithrombotic/anticoagulant therapy. A high risk of complications occurs in the presence of the genotype polymorphisms which are involved in the coagulation system, hemostasis function and in the metabolism of the therapy. The aim of the study was to investigate the influence of single-nucleotide polymorphisms (SNP) in HF patients with LVAD complications. We analyzed 21 SNPs in HF patients (n = 98) with/without complications, and healthy controls (n = 95). SNPs rs9934438; rs9923231 in VKORC1, rs5918 in ITGB3 and rs2070959 in UGT1A6 demonstrated significant association with HF patients’ complications (OR (95% CI): 3.96 (1.42–11.02), p = 0.0057), (OR (95% CI): 3.55 (1.28–9.86), p = 0.011), (OR (95% CI): 5.37 (1.79–16.16), p = 0.0056) and OR (95% CI): 4.40 (1.06–18.20), p = 0.044]. Genotype polymorphisms could help to predict complications at pre- and post-LVAD implantation period, which will reduce mortality rate. Our research showed that patients can receive treatment with warfarin and aspirin with a personalized dosage and LVAD complications can be predicted by reference to their genotype polymorphisms in VKORC1, ITGB3 and UGT1A6 genes.
Epithelial and Mesenchymal Features of Pancreatic Ductal Adenocarcinoma Cell Lines in Two- and Three-Dimensional Cultures
Authors: Shichi Yuuki , Gomi Fujiya , Sasaki Norihiko , Nonaka Keisuke , Arai Tomio , Ishiwata Toshiyuki
Published: May 2022

Pancreatic ductal adenocarcinoma (PDAC) is an intractable cancer that is difficult to diagnose early, and there is no cure other than surgery. PDAC is classified as an adenocarcinoma that has limited effective anticancer drug and molecular-targeted therapies compared to adenocarcinoma found in other organs. A large number of cancer cell lines have been established from patients with PDAC that have different genetic abnormalities, including four driver genes; however, little is known about the differences in biological behaviors among these cell lines. Recent studies have shown that PDAC cell lines can be divided into epithelial and mesenchymal cell lines. In 3D cultures, morphological and functional differences between epithelial and mesenchymal PDAC cell lines were observed as well as the drug effects of different anticancer drugs. These effects included gemcitabine causing an increased growth inhibition of epithelial PDAC cells, while nab-paclitaxel caused greater mesenchymal PDAC cell inhibition. Thus, examining the characteristics of epithelial or mesenchymal PDAC cells with stromal cells using a 3D co-culture may lead to the development of new anticancer drugs.
How the Closure of a U.S. Tax Loophole May Affect Investor Portfolios
Authors: Frei Christoph , Welsh Liam
Published: May 2022

In the United States, exchange-traded funds can defer capital gains taxes of their investors by taking advantage of a legal loophole. To quantify the impact of this tax loophole on investor portfolios, we study a rank-dependent expected utility model. We develop an approximation formula for the sensitivity of the optimal investment strategy with respect to changes in the expected asset returns. By applying this approximation formula, we are able to quantitatively estimate how much investor portfolios may change depending on the investment horizon if the tax loophole is closed.
The Effects of Agricultural Conservation Practices on the Small Water Cycle: From the Farm- to the Management-Scale
Authors: Noreika Nina , Li Tailin , Winterova Julie , Krasa Josef , Dostal Tomas
Published: May 2022

Reinforcing the small water cycle is considered to be a holistic approach to both water resource and landscape management. In an agricultural landscape, this can be accomplished by incorporating agricultural conservation practices; their incorporation can reduce surface runoff, increase infiltration, and increase the water holding capacity of a soil. Some typical agricultural conservation practices include: conservation tillage, contour farming, residue incorporation, and reducing field sizes; these efforts aim to keep both water and soil in the landscape. The incorporation of such practices has been extensively studied over the last 40 years. The Soil and Water Assessment Tool (SWAT) was used to model two basins in the Czech Republic (one at the farm-scale and a second at the management-scale) to determine the effects of agriculture conservation practice adoption at each scale. We found that at the farm-scale, contour farming was the most effective practice at reinforcing the small water cycle, followed by residue incorporation. At the management-scale, we found that the widespread incorporation of agricultural conservation practices significantly reinforced the small water cycle, but the relative scale and spatial distribution of their incorporation were not reflected in the SWAT scenario analysis. Individual farmers should be incentivized to adopt agricultural conservation practices, as these practices can have great effects at the farm-scale. At the management-scale, the spatial distribution of agricultural conservation practice adoption was not significant in this study, implying that managers should incentivize any adoption of such practices and that the small water cycle would be reinforced regardless.
Rural Industrial Geography in Urbanizing China: A Multiscalar Analysis of a Case Study in Xintai, Northern China
Authors: Zhuo Yunxia , Liu Tao
Published: May 2022

The rapidly urbanizing global south has witnessed drastic changes in rural transformation in which industrial dynamics have played a fundamental role. However, research on rural industrial geography and its influencing factors is limited compared with its urban counterpart. The spatial pattern of rural industry in an ordinary county in China—Xintai—is examined by adopting a multi-level approach. The underlying factors are then explored by situating it into a hybrid historical and geographical process of economy, institution, and society. Results show that: (1) The process of rural industrialization is hierarchically and spatially uneven across the county with the first- and second-tier industrial villages clustering around the central city and along two main roads exhibiting a general pattern of ‘one core and two bands‘. (2) Despite the overall pattern of concentration, rural industry exhibits a polycentric and dispersed distribution at the county and township levels. (3) The resources have continued to play a pivotal role in shaping the current industrial geography of this formerly resource-dependent county, followed by market accessibility, role of government, social capital, and the within-township industrial distribution. This research demonstrates the importance of the multi-level perspective in recognizing and understanding rural industrial geography and reveals its differences in urban and rural areas.
A Hardware-Aware Application Execution Model in Mixed-Criticality Internet of Things
Authors: Stângaciu Cristina Sorina , Capota Eugenia Ana , Stângaciu Valentin , Micea Mihai Victor , Curiac Daniel Ioan
Published: May 2022

The Real-Time Internet of Things is an emerging technology intended to enable real-time information communication and processing over a global network of devices at the edge level. Given the lessons learned from general real-time systems, where the mixed-criticality scheduling concept has proven to be an effective approach for complex applications, this paper formalizes the paradigm of the Mixed-Criticality Internet of Things. In this context, the evolution of real-time scheduling models is presented, reviewing all the key points in their development, together with some connections between different models. Starting from the classical mixed-criticality model, a mathematical formalization of the Mixed-Criticality Internet of Things concept, together with a specifically tailored methodology for scheduling mixed-criticality applications on IoT nodes at the edge level, is presented. Therefore, a novel real-time hardware-aware task model for distributed mixed-criticality systems is proposed. This study also offers a model for setting task parameters based on an IoT node-related affinity score, evaluates the proposed mapping algorithm for task scheduling, and presents some use cases.
Effects of Point Defects on the Stable Occupation, Diffusion and Nucleation of Xe and Kr in UO2
Authors: Wang Li , Wang Zhen , Xia Yaping , Chen Yangchun , Liu Zhixiao , Wang Qingqing , Wu Lu , Hu Wangyu , Deng Huiqiu
Published: May 2022

Xe and Kr gases produced during the use of uranium dioxide (UO2)-fuelled reactors can easily form bubbles, resulting in fuel swelling or performance degradation. Therefore, it is important to understand the influence of point defects on the behaviour of Xe and Kr gases in UO2. In this work, the effects of point defects on the behavioural characteristics of Xe/Kr clusters in UO2 have been systematically studied using molecular dynamics. The results show that Xe and Kr clusters occupy vacancies as nucleation points by squeezing U atoms out of the lattice, and the existence of vacancies makes the clusters more stable. The diffusion of interstitial Xe/Kr atoms and clusters in UO2 is also investigated. It is found that the activation energy is ~2 eV and that the diffusion of the interstitial atoms is very difficult. Xe and Kr bubbles form at high temperatures. The more interstitial Xe/Kr atoms or vacancies in the system, the easier the clusters form.
Dispersive Solid–Liquid Microextraction Based on the Poly(HDDA)/Graphene Sorbent Followed by ICP-MS for the Determination of Rare Earth Elements in Coal Fly Ash Leachate
Authors: Slavković-Beškoski Latinka , Ignjatović Ljubiša , Bolognesi Guido , Maksin Danijela , Savić Aleksandra , Vladisavljević Goran , Onjia Antonije
Published: May 2022

A dispersive solid-phase microextraction (DSPME) sorbent consisting of poly(1,6-hexanediol diacrylate)-based polymer microspheres, with embedded graphene microparticles (poly(HDDA)/graphene), was synthesized by microfluidic emulsification/photopolymerization and characterized by optical microscopy and X-ray fluorescence spectrometry. This sorbent was applied for simple, fast, and sensitive vortex-assisted DSPME of rare earth elements (RREs) in coal fly ash (CFA) leachate, prior to their quantification by inductively coupled plasma mass spectrometry (ICP-MS). Among nine DSPME variables, the Plackett–Burman screening design (PBD), followed by the central composite optimization design (CCD) using the Derringer desirability function (D), identified the eluent type as the most influencing DSPME variable. The optimum conditions with maximum D (0.65) for the chelating agent di-(2-ethylhexyl) phosphoric acid (D2EHPA) amount, the sorbent amount, the eluting solvent, the extraction temperature, the centrifuge speed, the vortexing time, the elution time, the centrifugation time, and pH, were set to 60 μL, 30 mg, 2 M HNO3, 25 °C, 6000 rpm, 1 min, 1 min, 5 min, and 4.2, respectively. Analytical validation of the DSPME method for 16 REEs (Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) in CFA leachate samples estimated the detection limits at the low ppt level, the recovery range 43–112%, and relative standard deviation within ± 22%. This method was applied to a water extraction procedure (EP) and acetic acid toxicity characteristic leaching procedure (TCLP) for leachate of CFA, from five different coal-fired thermoelectric power plants. The most abundant REEs in leachate (20 ÷ 1 solid-to-liquid ratio) are Ce, Y, and La, which were found in the range of 22–194 ng/L, 35–105 ng/L, 48–95 ng/L, and 9.6–51 μg/L, 7.3–22 μg/L, 2.4–17 μg/L, for EP and TCLP leachate, respectively. The least present REE in TCLP leachate was Lu (42–125 ng/L), which was not detected in EP leachate.
Effects of Heat Treatment on Microstructures and Properties of Cold Rolled Ti-0.3Ni Sheets as Bipolar Plates for PEMFC
Authors: Zhu Haifeng , Wang Xiaopeng , Meng Wei , Kong Fantao
Published: May 2022

As promising materials for bipolar plates substrate, as-cold rolled Ti-0.3Ni (wt.%) sheets were heat treated with three different processes in this work. As-cold rolled sheets consist of α matrix and dispersed Ti2Ni intermetallic precipitates, and typical Widmanstatten microstructure can be observed after heat treatment. Lamellar Ti2Ni precipitates inside the colonies. Elongation of as-cold rolled sheets equals less than 7% while this value rises up to around 20%, and tensile strength decreases by more than 47% after heat treatment. Open circuit potentials of as-cold rolled sheets treated at 950 °C for 1 h followed by wind cooling (950 °C/1 h/WC), sheets aged at 500 °C for 3 h followed by air cooling (950 °C/1 h/WC + 500 °C/3 h/AC), and sheets treated at 950 °C for 1 h followed by furnace cooling (950 °C/1 h/FC) equals −0.536 V, −0.476 V, −0.486 V, −0.518 V, respectively. A potentiodynamic polarization test reveals that all of the specimens exhibit typical active–passive transition behavior. Sheets treated at 950 °C/1 h/WC possess the lowest corrosion current density (155.4 μA·cm−2). Results of electrochemical impedance spectroscopy (EIS) show that 950 °C/1 h/WC treated sheets possess the largest polarization resistance (Rpol), 122.6 Ω·cm2. Moreover, steady-state current densities (Iss) increase in the order of 950 °C/1 h/WC, 950 °C/1 h/WC + 500 °C/3 h/AC, 950 °C/1 h/FC according to the results of potentiostatic polarization. This can be attributed to various amounts of Ti2Ni precipitation caused by different cooling rates.
Observing the Effect of Grain Refinement on Crystal Growth of Al and Mg Alloys during Solidification Using In-Situ Neutron Diffraction
Authors: Elsayed Abdallah , D’Elia Francesco , Ravindran Comondore , Sediako Dimitry
Published: May 2022

The present research uses in-situ neutron diffraction to examine the effect of grain refinement on grain growth during solidification of Al-5 wt.% Cu and Mg-5 wt.% Zn alloys. The alloys were grain refined through additions of Al-5Ti-1B and Zr, respectively. The in-situ neutron diffraction experiments were carried out by heating the alloys to temperatures above the liquidus and subsequently cooling in 5 or 10 °C temperature steps to temperatures below solidus, while being irradiated by thermal neutrons. With the addition of grain refiners, grain size reductions of 92% were observed for both the Al-5 wt.% Cu and Mg-5 wt.% Zn alloys. The refined and unrefined Al-5 wt.% Cu alloys contained α-Al with Al2Cu along the grain boundary regions. Differences in Al2Cu morphology were observed in the grain refined alloys. The Mg-5 wt.% Zn alloy contained MgZn intermetallic phases with primary Mg. The refined Mg-5 wt.% Zn-0.7 wt.% Zr alloy contained Mg, MgZn and Zn2Zr phases. In-situ neutron diffraction enabled quantification of individual plane solid fraction growth for the α-Al and Al2Cu phases in the Al-Cu alloys, and for α-Mg in the Mg alloys. For the unrefined Al-5 wt.% Cu, the coarse microstructure resulted in a rapid solid fraction rise at temperatures just below liquidus followed by a gradual increase in solid fraction until the sample was fully solid. The grain-refined Al-5 wt.% Cu alloys showed a columnar to equiaxed microstructure transition and a more gradual growth in fraction solid throughout solidification. For the Mg-5 wt.% Zn alloy, the more packed (0002) and (101¯1) α-Mg plane intensities grew at a slower rate than the (101¯0) plane intensity, resulting in an irregular grain structure. With the addition of the Zr grain refiner, the Mg-5 wt.% Zn-0.7 wt.% Zr alloy had (101¯0), (0002) and (101¯1) planes intensities all increasing at similar rates, especially at the early stages of solidification. FactSage™ (version 6.4, Montréal, QC, Canada) equilibrium solidification models followed the fraction solid curves developed by tracking the fastest growing planes of the Mg alloys.
Sustainable Recovery, Recycle of Critical Metals and Rare Earth Elements from Waste Electric and Electronic Equipment (Circuits, Solar, Wind) and Their Reusability in Additive Manufacturing Applications: A Review
Authors: Stratiotou Efstratiadis Vasileios , Michailidis Nikolaos
Published: May 2022

The demand for high-efficiency, low-energy consumption materials, with high durability and stability, has led to the rapid increase of the demand and prices of Rare Earth Elements (REE). The REE monopoly of some countries has held the shift of humanity towards sustainability and renewable energy sources back. The isolation, recovery, and recycle of REE from waste electric and electronic equipment (WEEE) constitute the disengagement strategy and can lead to significant economic benefits, via sustainability. The introduction of critical raw materials (RM), derived from WEEE, as additives to filaments used for the synthesis of composite materials, employed by Additive Manufacturing (AM) applications, has tremendous potential for the performance and the commercialization of the final products by adding unique characteristics, such as antibacterial properties, enhanced mechanical and magnetic properties, and thermal and electrical conductivity. The low cost of the recycled RM, the small numbers of process stages, and the inception of a zero-waste paradigm, present its upscalability, with a realistic view to its industrial employment. Although there are many articles in literature that have reviewed WEEE recycle, a comprehensive review on the conditions, parameters, procedure flow charts, and novel properties of the final composite materials with regards to every RM is missing.
Fatigue Assessment of Wire and Arc Additively Manufactured Ti-6Al-4V
Authors: Springer Sebastian , Leitner Martin , Gruber Thomas , Oberwinkler Bernd , Lasnik Michael , Grün Florian
Published: May 2022

Wire and arc additively manufactured (WAAM) parts and structures often present internal defects, such as gas pores, and cause irregularities in the manufacturing process. In order to describe and assess the effect of internal defects in fatigue design, this research study investigates the fatigue strength of wire arc additive manufactured structures covering the influence of imperfections, particularly gas pores. Single pass WAAM structures are manufactured using titanium alloy Ti-6Al-4V and round fatigue, tensile specimen are extracted. Tensile tests and uniaxial fatigue tests with a load stress ratio of R = 0.1 were carried out, whereby fatigue test results are used for further assessments. An extensive fractographic and metallographic fracture surface analysis is utilized to characterize and measure crack-initiating defects. As surface pores as well as bulk pores are detected, a stress intensity equivalent ∆Keqv transformation approach is presented in this study. Thereby, the defect size of the surface pore is transformed to an increased defect size, which is equivalent to a bulk pore. Subsequently, the fatigue strength assessment method by Tiryakioğlu, commonly used for casting processes, is applied. For this method, a cumulative Gumbel extreme value distribution is utilized to statistically describe the defect size. The fitted distribution with modified data reveals a better agreement with the experimental data than unmodified. Additionally, the validation of the model shows that the usage of the ∆K modified data demonstrates better results, with a slight underestimation of up to about −7%, compared to unmodified data, with an overestimation of up to about 14%, comparing the number of load cycles until failure. Hence, the presented approach applying a stress intensity equivalent transformation of surface to bulk pores facilitates a sound fatigue strength assessment of WAAM Ti-6Al-4V structures.
Effects of a Polyherbal Dietary Additive on Performance, Dietary Energetics, Carcass Traits, and Blood Metabolites of Finishing Lambs
Authors: Dorantes-Iturbide Griselda , Orzuna-Orzuna José Felipe , Lara-Bueno Alejandro , Miranda-Romero Luis Alberto , Mendoza-Martínez Germán David , Hernández-García Pedro Abel
Published: May 2022

The objective of this study was to evaluate the effects of dietary supplementation of a polyherbal additive (PA) containing hydrolyzable tannins, flavonoids, and essential oils on productive performance, dietary energetics, carcass and meat characteristics, and blood metabolites of lambs in their finishing phase. Twenty-eight Pelibuey × Katahdin lambs (20.52 ± 0.88 kg body weight (BW)) were housed in individual pens and assigned to four treatments (n = 7) with different doses of PA: 0 (CON), 1 (PA1), 2 (PA2), and 3 (PA3) g of PA kg−1 of DM for 56 days. Compared to the CON, lambs in PA1 treatment had higher average daily gain (p = 0.03), higher dietary energy utilization (p = 0.01), greater backfat thickness (p = 0.02), greater Longissimus dorsi muscle area (p = 0.01), and better feed conversion ratio (p = 0.02). PA supplementation did not affect (p > 0.05) dry matter intake, carcass yield, biometric measures, and meat chemical composition. All hematological and most of the blood biochemical parameters were similar in lambs of all treatments (p > 0.05). However, compared to the CON, lambs assigned to the PA3 treatment had lower serum urea concentration (p = 0.05) and higher serum albumin concentration (p = 0.03). In conclusion, low doses of PA could be used as a growth promoter in finishing lambs without affecting dry matter intake, carcass yield, meat chemical composition, and health status of the lambs. However, more in vivo research is needed to better understand the impact of bioactive compounds from PA used on productivity, metabolism, and health status of finishing lambs.
Design and Comparative Study of a Small-Stroke Energy Harvesting Floor Based on a Multi-Layer Piezoelectric Beam Structure
Authors: Zhong Xiang , Wang Hengyang , Chen Lin , Guan Mingjie
Published: May 2022

Recently, research on the energy harvesting floor is attracting more and more attention due to its possible application in the smart house, invasion monitoring, internet of things, etc. This paper introduced a design and comparative study of a small-stroke piezoelectric energy harvesting floor based on a multi-layer piezoelectric beam structure. The multi-layer piezoelectric beams are designed based on simply supported beams in an interdigitated manner. Theoretical analysis is explored to find out the beam number and layer number of the structure. Through this design, the input power from the human footsteps was effectively utilized and transformed into electrical power. The designed piezoelectric energy harvesting floor structure was tested by our designed stepping machine, which can simulate the stepping effect of a walking human on the floor with different parameters such as stepping frequency. Comparative studies of the energy harvester are carried out regarding different stepping frequencies, external circuits, and initial beam shapes. The experimental results showed that the maximum output power of a group of four-layer prototypes was 960.9 µW at a stroke of 4 mm and a step frequency of 0.83 Hz, with the beams connected in parallel.
Highly Active Small Aminated Quinolinequinones against Drug-Resistant Staphylococcus aureus and Candida albicans
Authors: Yıldırım Hatice , Bayrak Nilüfer , Yıldız Mahmut , Yılmaz Fatıma Nur , Mataracı-Kara Emel , Shilkar Deepak , Jayaprakash Venkatesan , TuYuN Amaç Fatih
Published: May 2022

Two subseries of aminated quinolinequinones (AQQs, AQQ1–16) containing electron-withdrawing group (EWG) or electron-donating group (EDG) in aryl amine moiety were successfully synthesized. Antimicrobial activity assessment indicates that some of the AQQs (AQQ8–10 and AQQ12–14) with an EDG in aryl amine exhibited strong antibacterial activity against Gram-positive bacterial strains, including Staphylococcus aureus (ATCC® 29213) and Enterococcus faecalis (ATCC® 29212). In contrast, AQQ4 with an EWG in aryl amine displayed excellent antifungal activity against fungi Candida albicans (ATCC® 10231) with a MIC value of 1.22 μg/mL. To explore the mode of action, the selected AQQs (AQQ4 and AQQ9) were further evaluated in vitro to determine their antimicrobial activity against each of 20 clinically obtained resistant strains of Gram-positive bacteria by performing antibiofilm activity assay and time-kill curve assay. In addition, in silico studies were carried out to determine the possible mechanism of action observed in vitro. The data obtained from these experiments suggests that these molecules could be used to target pathogens in different modes of growth, such as planktonic and biofilm.
Visible Light Reductive Photocatalysis of Azo-Dyes with n–n Junctions Based on Chemically Deposited CdS
Authors: Mazzanti Michele , Milani Martina , Cristino Vito , Boaretto Rita , Molinari Alessandra , Caramori Stefano
Published: May 2022

New composite photocatalysts have been obtained by chemical bath deposition of CdS on top of either nanostructured crystalline ZrO2 or TiO2 films previously deposited on conductive glass FTO. Their morphological, photoelectrochemical and photochemical properties have been investigated and compared. Time resolved spectroscopic, techniques show that in FTO/TiO2/CdS films the radiative recombination of charges, separated by visible illumination of CdS, is faster than in FTO/ZrO2/CdS, evidencing that carrier dynamics in the two systems is different. Photoelectrochemical investigation evidence a suppression of electron collection in ZrO2/CdS network, whereas electron injection from CdS to TiO2 is very efficient since trap states of TiO2 act as a reservoir for long lived electrons storage. This ability of FTO/TiO2/CdS films is used in the reductive cleavage of N=N bonds of some azo-dyes by visible light irradiation, with formation and accumulation of reduced aminic intermediates, identified by ESI-MS analysis. Needed protons are provided by sodium formate, a good hole scavenger that leaves no residue upon oxidation. FTO/TiO2/CdS has an approximately 100 meV driving force larger than FTO/ZrO2/CdS under illumination for azo-dye reduction and it is always about 10% more active than the seconds. The films showed very high stability and recyclability, ease of handling and recovering.
Investigating the Functional Role of the Cysteine Residue in Dehydrin from the Arctic Mouse-Ear Chickweed Cerastium arcticum
Authors: Kim Il-Sup , Choi Woong , Park Ae Kyung , Kim Hyun , Son Jonghyeon , Lee Jun Hyuck , Shin Seung Chul , Kim T. Doohun , Kim Han-Woo
Published: May 2022

The stress-responsive, SK5 subclass, dehydrin gene, CaDHN, has been identified from the Arctic mouse-ear chickweed Cerastium arcticum. CaDHN contains an unusual single cysteine residue (Cys143), which can form intermolecular disulfide bonds. Mutational analysis and a redox experiment confirmed that the dimerization of CaDHN was the result of an intermolecular disulfide bond between the cysteine residues. The biochemical and physiological functions of the mutant C143A were also investigated by in vitro and in vivo assays using yeast cells, where it enhanced the scavenging of reactive oxygen species (ROS) by neutralizing hydrogen peroxide. Our results show that the cysteine residue in CaDHN helps to enhance C. arcticum tolerance to abiotic stress by regulating the dimerization of the intrinsically disordered CaDHN protein, which acts as a defense mechanism against extreme polar environments.
A Novel Donor-Acceptor Thiophene-Containing Oligomer Comprising Dibenzothiophene-S,S-dioxide Units for Solution-Processable Organic Field Effect Transistor
Authors: Luo Xia , Duan Zongfan , Li Kang , He Gang , Liu Zhenzhen , Luo Hong , Zhang Jingyu , Liang Jiani , Guo Qian , Liu Jing , Ding Kai
Published: May 2022

A π-conjugated thiophene-containing oligomer with a D-A-D-A-D (D: donor, A: acceptor) architecture, namely, 2,6-bis{[4-(7-n-hexylthiophen-2-yl)thiophen-2-yl]-(dibenzothiophene-5,5-dioxide-3,3΄-diyl)}-bis((2-ethyl-hexyl)oxy)benzo[1,2-b:4,5-b’]dithiophen (BDT(DBTOTTH)2), was synthesized by Stille coupling reactions. There are obvious shifts in the Ultraviolet-visible (UV-vis) and photoluminescence (PL) spectra of the thin film relative to its solution, indicating the existence of the π-π stacking in the solid state of the oligomer BDT(DBTOTTH)2. The optical band gap of the oligomer determined from its absorption onset in UV-Vis spectra is 2.25 eV. It agrees with the value of 2.29 eV determined from the cyclic voltammetry (CV) measurement. Its highest occupied and lowest unoccupied molecular orbital (HOMO/LUMO) energy levels, which were calculated from its onset of oxidation and reduction waves in CV curve, are −5.51 and −3.22 eV, respectively. The oligomer is a P-type semiconductor material with a good thermal stability and solubility, which can be used to fabricate organic field effect transistors (OFETs) by the spin coating technique. The OFET with n-octadecanylltrichlorosilane (OTS)-modified SiO2 dielectric layer exhibited a mobility of 1.6 × 10−3 cm2/Vs.
Effects of Organic Acids on the Release of Fruity Esters in Water: An Insight at the Molecular Level
Authors: Liu Yu , Xi Hui , Fu Yingjie , Li Peng , Sun Shihao , Zong Yongli
Published: May 2022

It is well known that organic acids (OAs) could affect the flavour of fruit juices and beverages. However, the molecular mechanism of aroma release is still unclear. In this study, the effects of citric acid (CA), L-(-)-malic acid (MA) and L-lactic acid (LA) on the release of six selected esters and their sensory perception were investigated by means of HS-GC-MS analyses and odour detection threshold determination, respectively. Meanwhile, the density functional theory (DFT) calculation was employed to explore the interaction modes between esters and OAs. HS-GC-MS analyses showed that the concentration and the type of OAs regulated the release of esters. The results were basically consistent with the detection threshold change of those esters. The DFT calculation suggested that the main intermolecular interaction was hydrogen bonds, and several esters could form a ternary ring structure with OAs through hydrogen bonds. The interactions can induce the different release behaviours of esters in OAs water solution. The number of carboxyl functional groups in OAs and the spatial conformation of esters appeared to influence the magnitude of the interaction. The above results demonstrated the mechanism of OAs affecting the release of esters and indicated a possible flavour control way by using different OAs and OA concentrations.
Enhanced Luminous Efficacy and Stability of InP/ZnSeS/ZnS Quantum Dot-Embedded SBA-15 Mesoporous Particles for White Light-Emitting Diodes
Authors: Lai Chun-Feng , Chang Yu-Ching , Huang Yu-Shan
Published: May 2022

Environmentally friendly quantum dots (QDs) of InP-based materials are widely investigated, but their reliability remains inadequate to realize their full potential and wide application. In this study, InP/ZnSeS/ZnS QDs (pristine QDs) were dispersed and embedded into Santa Barbara Amorphous-15 mesoporous particles (SBA-15 MPs) for the first time. A solvent-free method for preparing QD white light-emitting diodes (WLEDs) that is compatible with the WLED packaging process was developed. The photoluminescence (PL) spectrum of pristine QD powder exhibited cluster states and had huge redshift of approximately 23 nm. By comparison, the PL spectrum of the SBA-15 MP/QD hybrid powder had a slight redshift of approximately 8 nm, only because the pristine QDs were dispersed and embedded well in the SBA-15 MPs. The PL intensity of the SBA-15 MP/QD hybrid powder slightly decreased after heating and cooling compared with that of the pristine QDs. Moreover, the luminous efficacy of the SBA-15 MP/QD hybrid WLEDs was enhanced by approximately 14% compared with that of the pristine QD-WLEDs. Furthermore, reliability analysis revealed that the SBA-15 MPs could improve the stability of the pristine QDs on chips. Thus, these MPs promise good potential for applications in mini-LEDs in the future.