bluuebunny/crossref_metadata_2025 huggingface dataset:
Genomic Approaches for Conservation Management in Australia under Climate Change
Authors: Onley Isabelle R. , Moseby Katherine E. , Austin Jeremy J.
Published: July 2021

Conservation genetics has informed threatened species management for several decades. With the advent of advanced DNA sequencing technologies in recent years, it is now possible to monitor and manage threatened populations with even greater precision. Climate change presents a number of threats and challenges, but new genomics data and analytical approaches provide opportunities to identify critical evolutionary processes of relevance to genetic management under climate change. Here, we discuss the applications of such approaches for threatened species management in Australia in the context of climate change, identifying methods of facilitating viability and resilience in the face of extreme environmental stress. Using genomic approaches, conservation management practices such as translocation, targeted gene flow, and gene-editing can now be performed with the express intention of facilitating adaptation to current and projected climate change scenarios in vulnerable species, thus reducing extinction risk and ensuring the protection of our unique biodiversity for future generations. We discuss the current barriers to implementing conservation genomic projects and the efforts being made to overcome them, including communication between researchers and managers to improve the relevance and applicability of genomic studies. We present novel approaches for facilitating adaptive capacity and accelerating natural selection in species to encourage resilience in the face of climate change.
Structure, Luminescence, and Magnetic Properties of Crystalline Manganese Tungstate Doped with Rare Earth Ion
Authors: Jung Jae-Young , Yi Soung-Soo , Hwang Dong-Hyun , Son Chang-Sik
Published: July 2021

The precursor prepared by co-precipitation method was sintered at various temperatures to synthesize crystalline manganese tungstate (MnWO4). Sintered MnWO4 showed the best crystallinity at a sintering temperature of 800 °C. Rare earth ion (Dysprosium; Dy3+) was added when preparing the precursor to enhance the magnetic and luminescent properties of crystalline MnWO4 based on these sintering temperature conditions. As the amount of rare earth ions was changed, the magnetic and luminescent characteristics were enhanced; however, after 0.1 mol.%, the luminescent characteristics decreased due to the concentration quenching phenomenon. In addition, a composite was prepared by mixing MnWO4 powder, with enhanced magnetism and luminescence properties due to the addition of dysprosium, with epoxy. To one of the two prepared composites a magnetic field was applied to induce alignment of the MnWO4 particles. Aligned particles showed stronger luminescence than the composite sample prepared with unsorted particles. As a result of this, it was suggested that it can be used as phosphor and a photosensitizer by utilizing the magnetic and luminescent properties of the synthesized MnWO4 powder with the addition of rare earth ions.
Studies on the Content of Selected Technology Critical Elements (Germanium, Tellurium and Thallium) in Electronic Waste
Authors: Willner Joanna , Fornalczyk Agnieszka , Jablonska-Czapla Magdalena , Grygoyc Katarzyna , Rachwal Marzena
Published: July 2021

The article draws attention to the problem of the presence of metals: germanium (Ge), tellurium (Te), thallium (Tl), and others (Cd, Ba, Co, Mn, Cr, Cu, Ni, Pb, Sr, and Zn) in selected waste of electrical and electronic equipment (WEEE). As a result of the growing demand for new technologies, the global consumption of TECs has also been increasing. Thus, the amount of metals in circulation, of which the impacts on the environment have not yet been fully understood, is constantly increasing. Due to the low content of these metals in WEEE, they are usually ignored during e-waste analyses. The main aim of this study was to determine the distribution of Ge, Te, and Tl (and other elements) in ground sieve fractions (1.0, 0.5, 0.2, and 0.1 mm) of selected electronic components (solar lamps, solar cell, LED TV screens, LCD screens, photoresistors, photodiodes, phototransistors) and to determine the possible tendency of the concentrations of these metals in fractions. This problem is particularly important because WEEE recycling processes (crushing, grinding, and even collection and transport operations) can lead to dispersion and migration of TCE pollutants into the environment. The quantitative composition of e-waste was identified and confirmed by ICP-MS, ICP-OES and SEM-EDS, and XRD analyses. It was found that Ge, Te, and Tl are concentrated in the finest fractions of ground e-waste, together with Cd and Cr, which may favor the migration of these pollutants in the form of dust during storage and processing of e-waste.
Influence of Fiber Addition on the Properties of High-Performance Concrete
Authors: Grzesiak Szymon , Pahn Matthias , Schultz-Cornelius Milan , Harenberg Stefan , Hahn Christoph
Published: July 2021

High performance fiber-reinforced concrete (HPFRC) has been frequently investigated in recent years. Plenty of studies have focused on different materials and types of fibers in combination with the concrete matrix. Experimental tests show that fiber dosage improves the energy absorption capacity of concrete and enhances the robustness of concrete elements. Fiber reinforced concrete has also been illustrated to be a material for developing infrastructure sustainability in RC elements like façade plates, columns, beams, or walls. Due to increasing costs of the produced fiber reinforced concrete and to ensure the serviceability limit state of construction elements, there is a demand to analyze the necessary fiber dosage in the concrete composition. It is expected that the surface and length of used fiber in combination with their dosage influence the structure of fresh and hardened concrete. This work presents an investigation of the mechanical parameters of HPFRC with different polymer fiber dosage. Tests were carried out on a mixture with polypropylene and polyvinyl alcohol fiber with dosages of 15, 25, and 35 kg/m3 as well as with control concrete without fiber. Differences were observed in the compressive strength and in the modulus of elasticity as well as in the flexural and splitting tensile strength. The flexural tensile strength test was conducted on two different element shapes: square panel and beam samples. These mechanical properties could lead to recommendations for designers of façade elements made of HPFRC.
The Effects of Overhang Forming Direction on Thermal Behaviors during Additive Manufacturing Ti-6Al-4V Alloy
Authors: Wu Fan , Sun Zhonggang , Chen Wei , Liang Zulei
Published: July 2021

Selective laser melting was recently introduced to fabricate complex parts that are likely to contain overhangs. Process parameters, scanning strategies, support structures, and fast prediction techniques are being frequently studied, but little information about overhang forming direction has been reported. In this study, the effects of overhang forming direction in the working plane on temperature evolution and distortion processes during selective laser melting of Ti-6Al-4V alloy were examined by means of numerical simulation and experimental verification. We found that forming from different directions can lead to significant differences in the early stage of the overhang building process, which were verified by both the simulations and the experiment. Some analyses were performed when enough layers had been built and suggestions are also given.
NMR for Single Ion Magnets
Authors: Gigli Lucia , Di Grande Silvia , Ravera Enrico , Parigi Giacomo , Luchinat Claudio
Published: July 2021

Nuclear Magnetic Resonance is particularly sensitive to the electronic structure of matter and is thus a powerful tool to characterize in-depth the magnetic properties of a system. NMR is indeed increasingly recognized as an ideal tool to add precious structural information for the development of Single Ion Magnets, small complexes that are recently gaining much popularity due to their quantum computing and spintronics applications. In this review, we recall the theoretical principles of paramagnetic NMR, with particular attention to lanthanoids, and we give an overview of the recent advances in this field.
Nonlinear Dynamics of the Introduction of a New SARS-CoV-2 Variant with Different Infectiousness
Authors: Gonzalez-Parra Gilberto , Arenas Abraham J.
Published: July 2021

Several variants of the SARS-CoV-2 virus have been detected during the COVID-19 pandemic. Some of these new variants have been of health public concern due to their higher infectiousness. We propose a theoretical mathematical model based on differential equations to study the effect of introducing a new, more transmissible SARS-CoV-2 variant in a population. The mathematical model is formulated in such a way that it takes into account the higher transmission rate of the new SARS-CoV-2 strain and the subpopulation of asymptomatic carriers. We find the basic reproduction number R0 using the method of the next generation matrix. This threshold parameter is crucial since it indicates what parameters play an important role in the outcome of the COVID-19 pandemic. We study the local stability of the infection-free and endemic equilibrium states, which are potential outcomes of a pandemic. Moreover, by using a suitable Lyapunov functional and the LaSalle invariant principle, it is proved that if the basic reproduction number is less than unity, the infection-free equilibrium is globally asymptotically stable. Our study shows that the new more transmissible SARS-CoV-2 variant will prevail and the prevalence of the preexistent variant would decrease and eventually disappear. We perform numerical simulations to support the analytic results and to show some effects of a new more transmissible SARS-CoV-2 variant in a population.
Local Dynamics of Logistic Equation with Delay and Diffusion
Authors: Kashchenko Sergey
Published: July 2021

The behavior of all the solutions of the logistic equation with delay and diffusion in a sufficiently small positive neighborhood of the equilibrium state is studied. It is assumed that the Andronov–Hopf bifurcation conditions are met for the coefficients of the problem. Small perturbations of all coefficients are considered, including the delay coefficient and the coefficients of the boundary conditions. The conditions are studied when these perturbations depend on the spatial variable and when they are time-periodic functions. Equations on the central manifold are constructed as the main results. Their nonlocal dynamics determines the behavior of all the solutions of the original boundary value problem in a sufficiently small neighborhood of the equilibrium state. The ability to control the dynamics of the original problem using the phase change in the perturbing force is set. The numerical and analytical results regarding the dynamics of the system with parametric perturbation are obtained. The asymptotic formulas for the solutions of the original boundary value problem are given.
A Robust Approach for Identifying the Major Components of the Bribery Tolerance Index
Authors: Homocianu Daniel , Plopeanu Aurelian-Petruș , Ianole-Calin Rodica
Published: July 2021

The paper aims to emphasize the advantages of several advanced statistical and data mining techniques when applied to the dense literature on corruption measurements and determinants. For this purpose, we used all seven waves of the World Values Survey and we employed the Naive Bayes technique in SQL Server Analysis Services 2016, the LASSO package together with logit and melogit regressions with raw coefficients in Stata 16. We further conducted different types of tests and cross-validations on the wave, country, gender, and age categories. For eliminating multicollinearity, we used predictor correlation matrices. Moreover, we assessed the maximum computed variance inflation factor (VIF) against a maximum acceptable threshold, depending on the model’s R squared in Ordinary Least Square (OLS) regressions. Our main contribution consists of a methodology for exploring and validating the most important predictors of the risk associated with bribery tolerance. We found the significant role of three influences corresponding to questions about attitudes towards the property, authority, and public services, and other people in terms of anti-cheating, anti-evasion, and anti-violence. We used scobit, probit, and logit regressions with average marginal effects to build and test the index based on these attitudes. We successfully tested the index using also risk prediction nomograms and accuracy measurements (AUCROC > 0.9).
New Approaches to the General Linearization Problem of Jacobi Polynomials Based on Moments and Connection Formulas
Authors: Abd-Elhameed Waleed Mohamed , Badah Badah Mohamed
Published: July 2021

This article deals with the general linearization problem of Jacobi polynomials. We provide two approaches for finding closed analytical forms of the linearization coefficients of these polynomials. The first approach is built on establishing a new formula in which the moments of the shifted Jacobi polynomials are expressed in terms of other shifted Jacobi polynomials. The derived moments formula involves a hypergeometric function of the type 4F3(1), which cannot be summed in general, but for special choices of the involved parameters, it can be summed. The reduced moments formulas lead to establishing new linearization formulas of certain parameters of Jacobi polynomials. Another approach for obtaining other linearization formulas of some Jacobi polynomials depends on making use of the connection formulas between two different Jacobi polynomials. In the two suggested approaches, we utilize some standard reduction formulas for certain hypergeometric functions of the unit argument such as Watson’s and Chu-Vandermonde identities. Furthermore, some symbolic algebraic computations such as the algorithms of Zeilberger, Petkovsek and van Hoeij may be utilized for the same purpose. As an application of some of the derived linearization formulas, we propose a numerical algorithm to solve the non-linear Riccati differential equation based on the application of the spectral tau method.
Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments
Authors: Zec Nebojša , Mangiapia Gaetano , Hendry Alex C. , Barker Robert , Koutsioubas Alexandros , Frielinghaus Henrich , Campana Mario , Ortega-Roldan José Luis , Busch Sebastian , Moulin Jean-François
Published: July 2021

We showcase the combination of experimental neutron scattering data and molecular dynamics (MD) simulations for exemplary phospholipid membrane systems. Neutron and X-ray reflectometry and small-angle scattering measurements are determined by the scattering length density profile in real space, but it is not usually possible to retrieve this profile unambiguously from the data alone. MD simulations predict these density profiles, but they require experimental control. Both issues can be addressed simultaneously by cross-validating scattering data and MD results. The strengths and weaknesses of each technique are discussed in detail with the aim of optimizing the opportunities provided by this combination.
Effect of Surface Sandblasting and Turning on Compressive Strength of Thin 316L Stainless Steel Shells Produced by Laser Powder Bed Fusion
Authors: Mehta Bharat , Hryha Eduard , Nyborg Lars , Tholence Frederic , Johansson Erik
Published: July 2021

This study evaluates the effect of post-manufacturing treatment on the compressive performance of additively manufactured components. The components were thin cylindrical shells with an aspect ratio of 25:1 manufactured using laser powder bed fusion and that were then surface treated by means of sandblasting or turning. The as-printed and subsequently surface treated samples were uniaxially compressed until failure to depict the effect of the surface condition on the compressive mechanical behavior. The results show that as the surfaces became smoother via sandblasting, the average peak strength for buckling load improves negligibly (0.85%), whereas this effect reaches 6.5% upon surface layer removal via turning. Through microstructural investigation and co-relating this with an understanding of processing conditions existing in manufacturing itself, this effect is seen to be linked to contour scanning causing softening of the surface region in a component.
Evolution of the Microstructure of a CuCr1Zr Alloy during Direct Heating by Electric Current
Authors: Karlík Miroslav , Haušild Petr , Pilvin Philippe , Carron Denis
Published: July 2021

Round tensile test specimens of an age-hardened CuCr1Zr alloy were subjected to direct electrical current heating in a Gleeble thermal–mechanical simulator at 800 °C. The mechanical properties were monitored by the Vickers hardness test, and the changes in the grain structure were examined by light metallography. A quantitative analysis of the size and distribution of fine precipitates during annealing was carried out using transmission electron microscopy (TEM). The grain structure showed a gradient corresponding to the gradient of the temperature on the test piece. Annealing for 60 s at 800 °C resulted in a partially (~50%) recrystallized structure with new grains about 45 μm in diameter. In the as-delivered condition, TEM documented tiny (1 to 4 nm) coherent chromium precipitates inducing strain fields in the matrix. During overaging, the particles lost their coherence and gradually coarsened up to a mean diameter of 40 nm after 300 s at 800 °C. The coarsening kinetics obeys Lifshitz, Sloyzov, and Wagner’s theory.
Utilising Commercially Fabricated Printed Circuit Boards as an Electrochemical Biosensing Platform
Authors: Zupančič Uroš , Rainbow Joshua , Estrela Pedro , Moschou Despina
Published: July 2021

Printed circuit boards (PCBs) offer a promising platform for the development of electronics-assisted biomedical diagnostic sensors and microsystems. The long-standing industrial basis offers distinctive advantages for cost-effective, reproducible, and easily integrated sample-in-answer-out diagnostic microsystems. Nonetheless, the commercial techniques used in the fabrication of PCBs produce various contaminants potentially degrading severely their stability and repeatability in electrochemical sensing applications. Herein, we analyse for the first time such critical technological considerations, allowing the exploitation of commercial PCB platforms as reliable electrochemical sensing platforms. The presented electrochemical and physical characterisation data reveal clear evidence of both organic and inorganic sensing electrode surface contaminants, which can be removed using various pre-cleaning techniques. We demonstrate that, following such pre-treatment rules, PCB-based electrodes can be reliably fabricated for sensitive electrochemical biosensors. Herein, we demonstrate the applicability of the methodology both for labelled protein (procalcitonin) and label-free nucleic acid (E. coli-specific DNA) biomarker quantification, with observed limits of detection (LoD) of 2 pM and 110 pM, respectively. The proposed optimisation of surface pre-treatment is critical in the development of robust and sensitive PCB-based electrochemical sensors for both clinical and environmental diagnostics and monitoring applications.
Biocompatibility of SU-8 and Its Biomedical Device Applications
Authors: Chen Ziyu , Lee Jeong-Bong
Published: July 2021

SU-8 is an epoxy-based, negative-tone photoresist that has been extensively utilized to fabricate myriads of devices including biomedical devices in the recent years. This paper first reviews the biocompatibility of SU-8 for in vitro and in vivo applications. Surface modification techniques as well as various biomedical applications based on SU-8 are also discussed. Although SU-8 might not be completely biocompatible, existing surface modification techniques, such as O2 plasma treatment or grafting of biocompatible polymers, might be sufficient to minimize biofouling caused by SU-8. As a result, a great deal of effort has been directed to the development of SU-8-based functional devices for biomedical applications. This review includes biomedical applications such as platforms for cell culture and cell encapsulation, immunosensing, neural probes, and implantable pressure sensors. Proper treatments of SU-8 and slight modification of surfaces have enabled the SU-8 as one of the unique choices of materials in the fabrication of biomedical devices. Due to the versatility of SU-8 and comparative advantages in terms of improved Young’s modulus and yield strength, we believe that SU-8-based biomedical devices would gain wider proliferation among the biomedical community in the future.
SARS-CoV-2 Infection Remodels the Phenotype and Promotes Angiogenesis of Primary Human Lung Endothelial Cells
Authors: Caccuri Francesca , Bugatti Antonella , Zani Alberto , De Palma Antonella , Di Silvestre Dario , Manocha Ekta , Filippini Federica , Messali Serena , Chiodelli Paola , Campisi Giovanni , Fiorentini Simona , Facchetti Fabio , Mauri Pierluigi , Caruso Arnaldo
Published: July 2021

SARS-CoV-2-associated acute respiratory distress syndrome (ARDS) and acute lung injury are life-threatening manifestations of severe viral infection. The pathogenic mechanisms that lead to respiratory complications, such as endothelialitis, intussusceptive angiogenesis, and vascular leakage remain unclear. In this study, by using an immunofluorescence assay and in situ RNA-hybridization, we demonstrate the capability of SARS-CoV-2 to infect human primary lung microvascular endothelial cells (HL-mECs) in the absence of cytopathic effects and release of infectious particles. Preliminary data point to the role of integrins in SARS-CoV-2 entry into HL-mECs in the absence of detectable ACE2 expression. Following infection, HL-mECs were found to release a plethora of pro-inflammatory and pro-angiogenic molecules, as assessed by microarray analyses. This conditioned microenvironment stimulated HL-mECs to acquire an angiogenic phenotype. Proteome analysis confirmed a remodeling of SARS-CoV-2-infected HL-mECs to inflammatory and angiogenic responses and highlighted the expression of antiviral molecules as annexin A6 and MX1. These results support the hypothesis of a direct role of SARS-CoV-2-infected HL-mECs in sustaining vascular dysfunction during the early phases of infection. The construction of virus-host interactomes will be instrumental to identify potential therapeutic targets for COVID-19 aimed to inhibit HL-mEC-sustained inflammation and angiogenesis upon SARS-CoV-2 infection.
Bacillus Cyclic Lipopeptides Iturin and Fengycin Control Rice Blast Caused by Pyricularia oryzae in Potting and Acid Sulfate Soils by Direct Antagonism and Induced Systemic Resistance
Authors: Lam Van Bach , Meyer Thibault , Arias Anthony Arguelles , Ongena Marc , Oni Feyisara Eyiwumi , Höfte Monica
Published: July 2021

Rice monoculture in acid sulfate soils (ASSs) is affected by a wide range of abiotic and biotic constraints, including rice blast caused by Pyricularia oryzae. To progress towards a more sustainable agriculture, our research aimed to screen the biocontrol potential of indigenous Bacillus spp. against blast disease by triggering induced systemic resistance (ISR) via root application and direct antagonism. Strains belonging to the B. altitudinis and B. velezensis group could protect rice against blast disease by ISR. UPLC–MS and marker gene replacement methods were used to detect cyclic lipopeptide (CLiP) production and construct CLiPs deficient mutants of B. velezensis, respectively. Here we show that the CLiPs fengycin and iturin are both needed to elicit ISR against rice blast in potting soil and ASS conditions. The CLiPs surfactin, iturin and fengycin completely suppressed P. oryzae spore germination resulting in disease severity reduction when co-applied on rice leaves. In vitro microscopic assays revealed that iturin and fengycin inhibited the mycelial growth of the fungus P. oryzae, while surfactin had no effect. The capacity of indigenous Bacillus spp. to reduce rice blast by direct and indirect antagonism in ASS conditions provides an opportunity to explore their usage for rice blast control in the field.
Biofilms for Turbidity Mitigation in Oil Sands End Pit Lakes
Authors: Cossey Heidi L. , Anwar Mian Nabeel , Kuznetsov Petr V. , Ulrich Ania C.
Published: July 2021

End pit lakes (EPLs) have been proposed as a method of reclaiming oil sands fluid fine tailings (FFT), which consist primarily of process-affected water and clay- and silt-sized particles. Base Mine Lake (BML) is the first full-scale demonstration EPL and contains thick deposits of FFT capped with water. Because of the fine-grained nature of FFT, turbidity generation and mitigation in BML are issues that may be detrimental to the development of an aquatic ecosystem in the water cap. Laboratory mixing experiments were conducted to investigate the effect of mudline biofilms made up of microbial communities indigenous to FFT on mitigating turbidity in EPLs. Four mixing speeds were tested (80, 120, 160, and 200 rpm), all of which are above the threshold velocity required to initiate erosion of FFT in BML. These mixing speeds were selected to evaluate (i) the effectiveness of biofilms in mitigating turbidity and (ii) the mixing speed required to ‘break’ the biofilms. The impact of biofilm age (10 weeks versus 20 weeks old) on turbidity mitigation was also evaluated. Diverse microbial communities in the biofilms included photoautotrophs, namely cyanobacteria and Chlorophyta (green algae), as well as a number of heterotrophs such as Gammaproteobacteria, Desulfobulbia, and Anaerolineae. Biofilms reduced surface water turbidity by up to 99%, depending on the biofilm age and mixing speed. Lifting and layering in the older biofilms resulted in weaker attachment to the FFT; as such, younger biofilms performed better than older biofilms. However, older biofilms still reduced turbidity by 69% to 95%, depending on the mixing speed. These results indicate that biostabilization is a promising mechanism for turbidity mitigation in EPLs.
Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
Authors: Daśko Mateusz , Dołęga Anna , Siedzielnik Magdalena , Biernacki Karol , Ciupak Olga , Rachon Janusz , Demkowicz Sebastian
Published: July 2021

Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate the Hirshfeld surfaces for each of the synthesized compounds. Furthermore, results of our docking studies indicated that synthesized derivatives are able to bind effectively to the active sites of selected enzymes and receptors involved in the hormone biosynthesis and signaling pathways, analogously to the native steroids.
Chiroptical Sensing of Amino Acid Derivatives by Host–Guest Complexation with Cyclo[6]aramide
Authors: Wang Xuebin , Ji Jiecheng , Liu Zejiang , Cai Yimin , Tang Jialiang , Shi Yunzhi , Yang Cheng , Yuan Lihua
Published: July 2021

A hydrogen-bonded (H-bonded) amide macrocycle was found to serve as an effective component in the host–guest assembly for a supramolecular chirality transfer process. Circular dichroism (CD) spectroscopy studies showed that the near-planar macrocycle could produce a CD response when combined with three of the twelve L-α-amino acid esters (all cryptochiral molecules) tested as possible guests. The host–guest complexation between the macrocycle and cationic guests was explored using NMR, revealing the presence of a strong affinity involving the multi-point recognition of guests. This was further corroborated by density functional theory (DFT) calculations. The present work proposes a new strategy for amplifying the CD signals of cryptochiral molecules by means of H-bonded macrocycle-based host–guest association, and is expected to be useful in designing supramolecular chiroptical sensing materials.
Assessment of the Efficacy of Olive Leaf (Olea europaea L.) Extracts in the Treatment of Colorectal Cancer and Prostate Cancer Using In Vitro Cell Models
Authors: Albogami Sarah ,  Hassan Aziza
Published: July 2021

Cancer is one of the most serious public health issues worldwide, ranking second only to cardiovascular diseases as a cause of death. Numerous plant extracts have extraordinary health benefits and have been used for centuries to treat a variety of ailments with few side effects. Olive leaves have a long history of medicinal and therapeutic use. In this study, the anti-cancer properties of an olive leaf extract were investigated in vitro using colorectal and prostate cancer cell lines (HT29 and PC3, respectively). A high-performance liquid chromatography analysis showed that the olive leaf extract contained a high chlorogenic acid content. Accordingly, chlorogenic acid may be related to the observed effects of the aqueous extract on cancer cells, including increased inhibition of cancer cell growth, migration, DNA fragmentation, cell cycle arrest at the S phase, reactive oxygen species (ROS) production, and altered gene expression. The effects of the extracts were greater in HT29 than in PC3 cells. These results suggest that chlorogenic acid, the main constituent in the olive extract, is a promising new anti-cancer agent. Further analyses should focus on its in vivo effects on colorectal tumor models, both alone and in combination with established agents.
Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O(3P) at 298, 550, and 700 K
Authors: Rezaei Golbon , Meloni Giovanni
Published: July 2021

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state atomic oxygen, O(3P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, methyl vinyl ketone, methylglyoxal, dimethyl glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures. Possible reaction pathways for the formation of the observed primary products were computed using the CBS–QB3 composite method.
Hydricity of 3d Transition Metal Complexes from Density Functional Theory: A Benchmarking Study
Authors: Goodfellow Alister S. , Bühl Michael
Published: July 2021

A range of modern density functional theory (DFT) functionals have been benchmarked against experimentally determined metal hydride bond strengths for three first-row TM hydride complexes. Geometries were found to be produced sufficiently accurately with RI-BP86-D3(PCM)/def2-SVP and further single-point calculations with PBE0-D3(PCM)/def2-TZVP were found to reproduce the experimental hydricity accurately, with a mean absolute deviation of 1.4 kcal/mol for the complexes studied.
Argon Adsorption on Cationic Gold Clusters Aun+ (n ≤ 20)
Authors: Ferrari Piero , Janssens Ewald
Published: July 2021

The interaction of Aun+ (n ≤ 20) clusters with Ar is investigated by combining mass spectrometric experiments and density functional theory calculations. We show that the inert Ar atom forms relatively strong bonds with Aun+. The strength of the bond strongly varies with the cluster size and is governed by a fine interplay between geometry and electronic structure. The chemical bond between Aun+ and Ar involves electron transfer from Ar to Au, and a stronger interaction is found when the Au adsorption site has a higher positive partial charge, which depends on the cluster geometry. Au15+ is a peculiar cluster size, which stands out for its much stronger interaction with Ar than its neighbors, signaled by a higher abundance in mass spectra and a larger Ar adsorption energy. This is shown to be a consequence of a low-coordinated Au adsorption site in Au15+, which possesses a large positive partial charge.
Water Filtration Membranes Based on Non-Woven Cellulose Fabrics: Effect of Nanopolysaccharide Coatings on Selective Particle Rejection, Antifouling, and Antibacterial Properties
Authors: Jalvo Blanca , Aguilar-Sanchez Andrea , Ruiz-Caldas Maria-Ximena , Mathew Aji P.
Published: July 2021

This article presents a comparative study of the surface characteristics and water purification performance of commercially available cellulose nonwoven fabrics modified, via cast coating, with different nano-dimensioned bio-based carbohydrate polymers, viz. cellulose nanocrystals (CNC), TEMPO-oxidized cellulose nanofibers (T-CNF), and chitin nanocrystals (ChNC). The surface-modified nonwoven fabrics showed an improvement in wettability, surface charge modification, and a slight decrease of maximum pore size. The modification improved the water permeance in most of the cases, enhanced the particle separation performance in a wide range of sizes, upgraded the mechanical properties in dry conditions, and showed abiotic antifouling capability against proteins. In addition, T-CNF and ChNC coatings proved to be harmful to the bacteria colonizing on the membranes. This simple surface impregnation approach based on green nanotechnology resulted in highly efficient and fully bio-based high-flux water filtration membranes based on commercially available nonwoven fabrics, with distinct performance for particle rejection, antifouling and antibacterial properties.
Experiences of New Zealand Haemodialysis Patients in Relation to Food and Nutrition Management: A Qualitative Study
Authors: McLean Rachael M. , Xie Zhengxiu , Nelson Vicky , Nosa Vili , Thein Hla , Po’e-Tofaeono Audrey , Walker Robert , Wyeth Emma H.
Published: July 2021

People receiving haemodialysis have considerable and complex dietary and healthcare needs, including co-morbidities. A recent New Zealand study has shown that few patients on haemodialysis are able to meet nutritional requirements for haemodialysis. This study aims to describe the perspectives and experiences of dietary management among patients on haemodialysis in New Zealand. This exploratory qualitative study used in-depth semi-structured interviews. Purposive sampling was used to recruit participants from different ethnic groups. Forty interviews were conducted, audio-recorded and transcribed verbatim. An inductive approach was taken using thematic analysis. Forty participants were interviewed. Participants spoke of major disruption to their lives as a result of their chronic kidney disease and being on haemodialysis, including loss of employment, financial challenges, loss of independence, social isolation and increased reliance on extended family. Most had received adequate dietary information, although some felt that more culturally appropriate support would have enabled a healthier diet. These findings show that further support to make the recommended dietary changes while on haemodialysis should focus on socio-cultural factors, in addition to the information already provided.
Integrated Nutrition and Culinary Education in Response to Food Insecurity in a Public University
Authors: Matias Susana L , Rodriguez-Jordan Jazmin , McCoin Mikelle
Published: July 2021

Food insecurity is an emerging issue for college students. A nutrition course with an integrated teaching kitchen was developed to address this issue at a large public university. We aimed to determine changes in food insecurity and stress among students who took the course. The course consisted of weekly lectures followed by teaching kitchen lab sessions to teach basic nutrition and culinary concepts and expose students to hands-on skill development cooking experiences. Using a pre-post design, enrolled students completed an anonymous online survey at the beginning and the end of the semester. Food security was assessed with the USDA Six-Item Food Security Module; stress was measured using the Perceived Stress Scale (PSS). Pre- and post-data were linked for 171 participants. Paired data statistical analysis comparing the post- vs. the pre-test showed an increase in food security and a decrease in very low security rates (from 48% to 70%, and from 23% to 6%, respectively; p < 0.0001), and a decrease on the average PSS score, indicating lower stress (from (Mean ± SD) 19.7 ± 5.9 to 18.1 ± 6.0; p = 0.0001). A nutrition and culinary course may be an effective response to food insecurity and could potentially improve students’ wellbeing.
Pulmonary Findings of [18F]FDG PET/CT Images on Asymptomatic COVID-19 Patients
Authors: Ho Tzu-Chuan , Chang Chin-Chuan , Chan Hung-Pin , Huang Ying-Fong , Chen Yi-Ming Arthur , Chuang Kuo-Pin , Lee Che-Hsin , Yuan Cheng-Hui , Deng Yu-Zhen , Yang Ming-Hui , Tyan Yu-Chang
Published: July 2021

During the coronavirus disease 2019 (COVID-19) pandemic, several case studies demonstrated that many asymptomatic patients with COVID-19 underwent fluorine-18 fluorodeoxyglucose ([18F]FDG) positron emission tomography/computed tomography (PET/CT) examination for various indications. However, there is a lack of literature to characterize the pattern of [18F]FDG PET/CT imaging on asymptomatic COVID-19 patients. Therefore, a systematic review to analyze the pulmonary findings of [18F]FDG PET/CT on asymptomatic COVID-19 patients was conducted. This systematic review was performed under the guidelines of PRISMA. PubMed, Medline, and Web of Science were used to search for articles for this review. Articles with the key words: “asymptomatic”, “COVID-19”, “[18F]FDG PET/CT”, and “nuclear medicine” were searched for from 1 January 2020 to 20 May 2021. Thirty asymptomatic patients with COVID-19 were included in the eighteen articles. These patients had a mean age of 62.25 ± 14.85 years (male: 67.71 ± 12.00; female: 56.79 ± 15.81). [18F]FDG-avid lung lesions were found in 93.33% (28/30) of total patients. The major lesion was [18F]FDG-avid multiple ground-glass opacities (GGOs) in the peripheral or subpleural region in bilateral lungs, followed by the consolidation. The intensity of [18F]FDG uptake in multiple GGOs was 5.605 ± 2.914 (range from 2 to 12) for maximal standardized uptake value (SUVmax). [18F]FDG-avid thoracic lymph nodes (LN) were observed in 40% (12/40) of the patients. They mostly appeared in both mediastinal and hilar regions with an SUVmax of 5.8 ± 2.93 (range from 2.5 to 9.6). The [18F]FDG uptake was observed in multiple GGOs, as well as in the mediastinal and hilar LNs. These are common patterns in PET/CT of asymptomatic patients with COVID-19.
Rapid Detection of Mycoplasma bovis, Staphylococcus aureus and Streptococcus agalactiae in Cattle Bulk Tank Milk in Cyprus and Relations with Somatic Cell Counts
Authors: Liapi Maria , Botsaris George , Arsenoglou Costas , Markantonis Nikolas , Michael Christodoulos , Antoniou Antonis , Pipis Christodoulos
Published: July 2021

One hundred and seventy-seven (177) bulk tank milk samples were analyzed with a commercially available real-time polymerase chain reaction kit and 11 (6.21%), 41 (23.16%), and 58 (32.77%) tested positive for Mycoplasma bovis, Staphylococcus aureus, and Streptococcus agalactiae, respectively. Statistical analysis revealed a significant relationship between the presence of S. aureus and S. agalactiae. Enumeration of somatic cells was performed in the same samples by flow cytometry. The somatic cell counts were found higher in S. aureus and S. agalactiae positive samples. No association was found between M. bovis presence and somatic cells counts. Low internal assay control Ct values were found to be related with high somatic cell counts. Noticeably, this is the first report for the presence of M. bovis in Cyprus. Therefore, its presence was confirmed by bulk tank milk culture, conventional PCR, and next generation sequencing. Furthermore, M. bovis was typed with multilocus sequencing typing and was allocated to sequence type 29 (ST 29). Real-time PCR in bulk tank milk samples is a useful tool to detect mammary infections, especially for neglected pathogens such as M. bovis.
3′,4′-Dihydroxyflavonol Modulates the Cell Cycle in Cancer Cells: Implication as a Potential Combination Drug in Osteosarcoma
Authors: Ferreira de Oliveira José Miguel P. , Almeida Joana Filipa D. , Martins Maria , Proença Carina , Oliveira Helena , Fernandes Eduarda , Santos Conceição
Published: July 2021

New agents are demanded to increase the therapeutic options for osteosarcoma (OS). Although OS is the most common bone cancer in children and adolescents, it is considered a rare disorder. Therefore, finding adjuvant drugs has potential to advance therapy for this disease. In this study, 3′,4′-dihydroxyflavonol (DiOHF) was investigated to assess the effects in OS cellular models in combination with doxorubicin (Dox). MG-63 and U2OS human OS cells were exposed to DiOHF and Dox and tested for cell viability and growth. To elucidate the inhibitory effects of DiOHF, additional studies were conducted to assess apoptosis and cell cycle distribution, gene expression quantification of cell cycle regulators, and cytokinesis-block cytome assay to determine nuclear division rate. DiOHF decreased OS cell growth and viability in a concentration-dependent manner. Its combination with Dox enabled Dox dose reduction in both cell lines, with synergistic interactions in U2OS cells. Although no significant apoptotic effects were detected at low concentrations, cytostatic effects were demonstrated in both cell lines. Incubation with DiOHF altered cell cycle dynamics and resulted in differential cyclin and cyclin-dependent kinase expression. Overall, this study presents an antiproliferative action of DiOHF in OS combination therapy via modulation of the cell cycle and nuclear division.
Dissociative Effects of Neuropeptide S Receptor Deficiency and Nasal Neuropeptide S Administration on T-Maze Discrimination and Reversal Learning
Authors: Bicakci Ahmet Oguzhan , Tsai Pei-Ling , Kahl Evelyn , Mayer Dana , Fendt Markus
Published: July 2021

Cognitive flexibility refers to the ability to modify learned behavior in response to changes in the environment. In laboratory rodents, cognitive flexibility can be assessed in reversal learning, i.e., the change of contingencies, for example in T-maze discrimination learning. The present study investigated the role of the neuropeptide S (NPS) system in cognitive flexibility. In the first experiment, mice deficient of NPS receptors (NPSR) were tested in T-maze discrimination and reversal learning. In the second experiment, C57BL/6J mice were tested in the T-maze after nasal administration of NPS. Finally, the effect of nasal NPS on locomotor activity was evaluated. NPSR deficiency positively affected the acquisition of T-maze discrimination but had no effects on reversal learning. Nasal NPS administration facilitated reversal learning and supported an allocentric learning strategy without affecting acquisition of the task or locomotor activity. Taken together, the present data show that the NPS system is able to modulate both acquisition of T-maze discrimination and its reversal learning. However, NPSR deficiency only improved discrimination learning, while nasal NPS administration only improved reversal learning, i.e., cognitive flexibility. These effects, which at first glance appear to be contradictory, could be due to the different roles of the NPS system in the brain regions that are important for learning and cognitive flexibility.
Light and Autofluorescence, Multitasking Features in Living Organisms
Authors: Croce Anna C.
Published: July 2021

Organisms belonging to all life kingdoms may have the natural capacity to fluoresce. Autofluorescence events depend on the presence of natural biomolecules, namely endogenous fluorophores, with suitable chemical properties in terms of conjugated double bonds, aromatic or more complex structures with oxidized and crosslinked bonds, ensuring an energy status able to permit electronic transitions matching with the energy of light in the UV-visible-near-IR spectral range. Emission of light from biological substrates has been reported since a long time, inspiring unceasing and countless studies. Early notes on autofluorescence of vegetables have been soon followed by attention to animals. Investigations on full living organisms from the wild environment have been driven prevalently by ecological and taxonomical purposes, while studies on cells, tissues and organs have been mainly promoted by diagnostic aims. Interest in autofluorescence is also growing as a sensing biomarker in food production and in more various industrial processes. The associated technological advances have supported investigations ranging from the pure photochemical characterization of specific endogenous fluorophores to their possible functional meanings and biological relevance, making fluorescence a valuable intrinsic biomarker for industrial and diagnostic applications, in a sort of real time, in situ biochemical analysis. This review aims to provide a wide-ranging report on the most investigated natural fluorescing biomolecules, from microorganisms to plants and animals of different taxonomic degrees, with their biological, environmental or biomedical issues relevant for the human health. Hence, some notes in the different sections dealing with different biological subject are also interlaced with human related issues. Light based events in biological subjects have inspired an almost countless literature, making it almost impossible to recall here all associated published works, forcing to apologize for the overlooked reports. This Review is thus proposed as an inspiring source for Readers, addressing them to additional literature for an expanded information on specific topics of more interest.