bluuebunny/crossref_metadata_2025 huggingface dataset:
Short Heat Treatments for the F357 Aluminum Alloy Processed by Laser Powder Bed Fusion
Authors: Vanzetti Matteo , Virgillito Enrico , Aversa Alberta , Manfredi Diego , Bondioli Federica , Lombardi Mariangela , Fino Paolo
Published: October 2021

Conventionally processed precipitation hardening aluminum alloys are generally treated with T6 heat treatments which are time-consuming and generally optimized for conventionally processed microstructures. Alternatively, parts produced by laser powder bed fusion (L-PBF) are characterized by unique microstructures made of very fine and metastable phases. These peculiar features require specifically optimized heat treatments. This work evaluates the effects of a short T6 heat treatment on L-PBF AlSi7Mg samples. The samples underwent a solution step of 15 min at 540 °C followed by water quenching and subsequently by an artificial aging at 170 °C for 2–8 h. The heat treated samples were characterized from a microstructural and mechanical point of view and compared with both as-built and direct aging (DA) treated samples. The results show that a 15 min solution treatment at 540 °C allows the dissolution of the very fine phases obtained during the L-PBF process; the subsequent heat treatment at 170 °C for 6 h makes it possible to obtain slightly lower tensile properties compared to those of the standard T6. With respect to the DA samples, higher elongation was achieved. These results show that this heat treatment can be of great benefit for the industry.
The Synergy between Bio-Aggregates and Industrial Waste in a Sustainable Cement Based Composite
Authors: Grădinaru Cătălina Mihaela , Șerbănoiu Adrian Alexandru , Muntean Radu , Șerbănoiu Bogdan Vasile
Published: October 2021

The effects of the fly ash and of the sunflower stalks and corn cobs within a cement-matrix composite were studied under the aspects of density, compressive strength, splitting tensile strength, elasticity modulus, and resistance to repeated freeze-thaw cycles. In the research were developed 20 recipes of cement-based composite, including the reference composite. Fly ash was used as partial cement replacement (10, 20 and 30% by volume), and the vegetal aggregates made by corn cobs and sunflower stalks as partial replacement of the mineral aggregates (25 and 50% by volume). The study results revealed that a lightweight composite can be obtained with 50% of vegetal aggregates, and the fly ash, no matter its percentage, enhanced the compressive strength and splitting tensile strength of the compositions with 50% of sunflower aggregates and the freeze-thaw resistance of all compositions with sunflower stalks.
Point Cloud Registration Based on Multiparameter Functional
Authors: Makovetskii Artyom , Voronin Sergei , Kober Vitaly , Voronin Aleksei
Published: October 2021

The registration of point clouds in a three-dimensional space is an important task in many areas of computer vision, including robotics and autonomous driving. The purpose of registration is to find a rigid geometric transformation to align two point clouds. The registration problem can be affected by noise and partiality (two point clouds only have a partial overlap). The Iterative Closed Point (ICP) algorithm is a common method for solving the registration problem. Recently, artificial neural networks have begun to be used in the registration of point clouds. The drawback of ICP and other registration algorithms is the possible convergence to a local minimum. Thus, an important characteristic of a registration algorithm is the ability to avoid local minima. In this paper, we propose an ICP-type registration algorithm (λ-ICP) that uses a multiparameter functional (λ-functional). The proposed λ-ICP algorithm generalizes the NICP algorithm (normal ICP). The application of the λ-functional requires a consistent choice of the eigenvectors of the covariance matrix of two point clouds. The paper also proposes an algorithm for choosing the directions of eigenvectors. The performance of the proposed λ-ICP algorithm is compared with that of a standard point-to-point ICP and neural network Deep Closest Points (DCP).
Boundedness of Some Paraproducts on Spaces of Homogeneous Type
Authors: Fu Xing
Published: October 2021

Let (X,d,μ) be a space of homogeneous type in the sense of Coifman and Weiss. In this article, the author develops a partial theory of paraproducts {Πj}j=13 defined via approximations of the identity with exponential decay (and integration 1), which are extensions of paraproducts defined via regular wavelets. Precisely, the author first obtains the boundedness of Π3 on Hardy spaces and then, via the methods of interpolation and the well-known T(1) theorem, establishes the endpoint estimates for {Πj}j=13. The main novelty of this paper is the application of the Abel summation formula to the establishment of some relations among the boundedness of {Πj}j=13, which has independent interests. It is also remarked that, throughout this article, μ is not assumed to satisfy the reverse doubling condition.
Improved Multi-Scale Deep Integration Paradigm for Point and Interval Carbon Trading Price Forecasting
Authors: Wang Jujie , Qiu Shiyao
Published: October 2021

The forecast of carbon trading price is crucial to both sellers and purchasers; multi-scale integration models have been used widely in this process. However, these multi-scale models ignore the feature reconstruction process as well as the residual part and also they often focus on the linear integration. Meanwhile, most of the models cannot provide prediction interval which means they neglect the uncertainty. In this paper, an improved multi-scale nonlinear integration model is proposed. The original dataset is divided into some subgroups through variational mode decomposition (VMD) and all the subgroups will go through sample entropy (SE) process to reconstruct the features. Then, random forest and long-short term memory (LSTM) integration are used to model feature sub-sequences. For the residual part, LSTM residual correction strategy based on white noise test corrects residuals to obtain point prediction results. Finally, Gaussian process (GP) is applied to get the prediction interval estimate. The result shows that compared with some other methods, the proposed method can obtain satisfying accuracy which has the minimum statistical error. So, it is safe to conclude that the proposed method is able to efficiently predict the carbon price as well as to provide the prediction interval estimate.
A High Fidelity Authentication Scheme for AMBTC Compressed Image Using Reference Table Encoding
Authors: Chen Tungshou , Zhou Xiaoyu , Chen Rongchang , Hong Wien , Chen Kiasheng
Published: October 2021

In this paper, we propose a high-quality image authentication method based on absolute moment block truncation coding (AMBTC) compressed images. The existing AMBTC authentication methods may not be able to detect certain malicious tampering due to the way that the authentication codes are generated. In addition, these methods also suffer from their embedding technique, which limits the improvement of marked image quality. In our method, each block is classified as either a smooth block or a complex one based on its smoothness. To enhance the image quality, we toggle bits in bitmap of smooth block to generate a set of authentication codes. The pixel pair matching (PPM) technique is used to embed the code that causes the least error into the quantization values. To reduce the computation cost, we only use the original and flipped bitmaps to generate authentication codes for complex blocks, and select the one that causes the least error for embedment. The experimental results show that the proposed method not only obtains higher marked image quality but also achieves better detection performance compared with prior works.
INF-GAN: Generative Adversarial Network for Illumination Normalization of Finger-Vein Images
Authors: Hong Jin Seong , Choi Jiho , Kim Seung Gu , Owais Muhammad , Park Kang Ryoung
Published: October 2021

When images are acquired for finger-vein recognition, images with nonuniformity of illumination are often acquired due to varying thickness of fingers or nonuniformity of illumination intensity elements. Accordingly, the recognition performance is significantly reduced as the features being recognized are deformed. To address this issue, previous studies have used image preprocessing methods, such as grayscale normalization or score-level fusion methods for multiple recognition models, which may improve performance in images with a low degree of nonuniformity of illumination. However, the performance cannot be improved drastically when certain parts of images are saturated due to a severe degree of nonuniformity of illumination. To overcome these drawbacks, this study newly proposes a generative adversarial network for the illumination normalization of finger-vein images (INF-GAN). In the INF-GAN, a one-channel image containing texture information is generated through a residual image generation block, and finger-vein texture information deformed by the severe nonuniformity of illumination is restored, thus improving the recognition performance. The proposed method using the INF-GAN exhibited a better performance compared with state-of-the-art methods when the experiment was conducted using two open databases, the Hong Kong Polytechnic University finger-image database version 1, and the Shandong University homologous multimodal traits finger-vein database.
Splitting Sequences for Coding and Hybrid Incremental ARQ with Fragment Retransmission
Authors: Bajić Dragana , Dimić Goran , Zogović Nikola
Published: October 2021

This paper proposes a code defined on a finite ring ℤpM, where pM = 2m−1 is a Mersenne prime, and m is a binary size of ring elements. The code is based on a splitting sequence (splitting set) S, defined for the given multiplier set E=±20, ±21,…, ±2m−1. The elements of E correspond to the weights of binary error patterns that can be corrected, with the bidirectional single-bit error being the representative that occurs the most. The splitting set splits the code-word into sub-words, which inspired the name splitting code. Each sub-word, provided with auxiliary control symbols that are a byproduct of the coding procedure, corrects a single symbol error. The code can be defined, with some constraints, for general Mersenne numbers as well, while the multiplier set can be adjusted for adjacent binary errors correction. The application proposed for this code is a hybrid three-stage incremental ARQ procedure that transmits the code-word in the first stage, auxiliary control symbols in the second stage, and retransmits the sub-words detected as incorrect in the third stage. At each stage, error correction can be turned on or off, keeping both the retransmission rate and residual error rate at a low level.
Explosives Use in Decommissioning—Guide for Assessment of Risk (EDGAR): I Determination of Sound Pressure Levels for Open Water Blasts and Severance of Conductors and Piles from Below the Seabed
Authors: Brand Alison M.
Published: October 2021

A simple underwater noise model suitable for use with explosives in the decommissioning of oil and gas subsea structures is introduced and evaluated against data from five projects in the US. The performance of the model is compared to four existing models for open water blasts, and for the severance of well conductors and piles. Simulated received underwater sound pressure levels were significantly correlated with measurements for all scenarios. The maximum total error achieved between simulations and measurements was 3.5%, suggesting that predictions are accurate to within 4% of the average measurement. A low relative bias was observed in the simulations when compared to measured values, suggesting only a small systematic underestimate (≤1% of average measurement) for most severance operations and a small overestimate (1.34%) for open water blasts.
Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion
Authors: Strelak David , Jiménez-Moreno Amaya , Vilas José L. , Ramírez-Aportela Erney , Sánchez-García Ruben , Maluenda David , Vargas Javier , Herreros David , Fernández-Giménez Estrella , de Isidro-Gómez Federico P. , Horacek Jan , Myska David , Horacek Martin , Conesa Pablo , Fonseca-Reyna Yunior C. , Jiménez Jorge , Martínez Marta , Harastani Mohamad , Jonić Slavica , Filipovic Jiri , Marabini Roberto , Carazo José M. , Sorzano Carlos O. S.
Published: October 2021

Xmipp is an open-source software package consisting of multiple programs for processing data originating from electron microscopy and electron tomography, designed and managed by the Biocomputing Unit of the Spanish National Center for Biotechnology, although with contributions from many other developers over the world. During its 25 years of existence, Xmipp underwent multiple changes and updates. While there were many publications related to new programs and functionality added to Xmipp, there is no single publication on the Xmipp as a package since 2013. In this article, we give an overview of the changes and new work since 2013, describe technologies and techniques used during the development, and take a peek at the future of the package.
Photocatalytic Degradation of Palm Oil Mill Effluent (POME) Waste Using BiVO4 Based Catalysts
Authors: Saputera Wibawa Hendra , Amri Aryan Fathoni , Mukti Rino R. , Suendo Veinardi , Devianto Hary , Sasongko Dwiwahju
Published: October 2021

Disposal of palm oil mill effluent (POME), which is highly polluting from the palm oil industry, needs to be handled properly to minimize the harmful impact on the surrounding environment. Photocatalytic technology is one of the advanced technologies that can be developed due to its low operating costs, as well as being sustainable, renewable, and environmentally friendly. This paper reports on the photocatalytic degradation of palm oil mill effluent (POME) using a BiVO4 photocatalyst under UV-visible light irradiation. BiVO4 photocatalysts were synthesized via sol-gel method and their physical and chemical properties were characterized using several characterization tools including X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), surface area analysis using the BET method, Raman spectroscopy, electron paramagnetic resonance (EPR), and UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS). The effect of calcination temperature on the properties and photocatalytic performance for POME degradation using BiVO4 photocatalyst was also studied. XRD characterization data show a phase transformation of BiVO4 from tetragonal to monoclinic phase at a temperature of 450 °C (BV-450). The defect site comprising of vanadium vacancy (Vv) was generated through calcination under air and maxima at the BV-450 sample and proposed as the origin of the highest reaction rate constant (k) of photocatalytic POME removal among various calcination temperature treatments with a k value of 1.04 × 10−3 min−1. These findings provide design guidelines to develop efficient BiVO4-based photocatalyst through defect engineering for potential scalable photocatalytic organic pollutant degradation.
Utility of Bioluminescent Homogeneous Nucleotide Detection Assays in Measuring Activities of Nucleotide-Sugar Dependent Glycosyltransferases and Studying Their Inhibitors
Authors: Engel Laurie , Alves Juliano , Hennek Jacquelyn , Goueli Said A. , Zegzouti Hicham
Published: October 2021

Traditional glycosyltransferase (GT) activity assays are not easily configured for rapid detection nor for high throughput screening because they rely on radioactive product isolation, the use of heterogeneous immunoassays or mass spectrometry. In a typical glycosyltransferase biochemical reaction, two products are generated, a glycosylated product and a nucleotide released from the sugar donor substrate. Therefore, an assay that detects the nucleotide could be universal to monitor the activity of diverse glycosyltransferases in vitro. Here we describe three homogeneous and bioluminescent glycosyltransferase activity assays based on UDP, GDP, CMP, and UMP detection. Each of these assays are performed in a one-step detection that relies on converting the nucleotide product to ATP, then to bioluminescence using firefly luciferase. These assays are highly sensitive, robust and resistant to chemical interference. Various applications of these assays are presented, including studies on the specificity of sugar transfer by diverse GTs and the characterization of acceptor substrate-dependent and independent nucleotide-sugar hydrolysis. Furthermore, their utility in screening for specific GT inhibitors and the study of their mode of action are described. We believe that the broad utility of these nucleotide assays will enable the investigation of a large number of GTs and may have a significant impact on diverse areas of Glycobiology research.
Characterization of Conjugates between α-Lactalbumin and Benzyl Isothiocyanate—Effects on Molecular Structure and Proteolytic Stability
Authors: Spöttel Jenny , Brockelt Johannes , Falke Sven , Rohn Sascha
Published: October 2021

In complex foods, bioactive secondary plant metabolites (SPM) can bind to food proteins. Especially when being covalently bound, such modifications can alter the structure and, thus, the functional and biological properties of the proteins. Additionally, the bioactivity of the SPM can be affected as well. Consequently, knowledge of the influence of chemical modifications on these properties is particularly important for food processing, food safety, and nutritional physiology. As a model, the molecular structure of conjugates between the bioactive metabolite benzyl isothiocyanate (BITC, a hydrolysis product of the glucosinolate glucotropaeolin) and the whey protein α-lactalbumin (α-LA) was investigated using circular dichroism spectroscopy, anilino-1-naphthalenesulfonic acid fluorescence, and dynamic light scattering. Free amino groups were determined before and after the BITC conjugation. Finally, mass spectrometric analysis of the BITC-α-LA protein hydrolysates was performed. As a result of the chemical modifications, a change in the secondary structure of α-LA and an increase in surface hydrophobicity and hydrodynamic radii were documented. BITC modification at the ε-amino group of certain lysine side chains inhibited tryptic hydrolysis. Furthermore, two BITC-modified amino acids were identified, located at two lysine side chains (K32 and K113) in the amino acid sequence of α-LA.
A Universal Cassette-Based System for the Dissolution of Solid Targets
Authors: Sciacca Gabriele , Martini Petra , Cisternino Sara , Mou Liliana , Amico Jonathan , Esposito Juan , Gorgoni Giancarlo , Cazzola Emiliano
Published: October 2021

Cyclotron-based radionuclides production by using solid targets has become important in the last years due to the growing demand of radiometals, e.g., 68Ga, 89Zr, 43/47Sc, and 52/54Mn. This shifted the focus on solid target management, where the first fundamental step of the radiochemical processing is the target dissolution. Currently, this step is generally performed with commercial or home-made modules separated from the following purification/radiolabelling modules. The aim of this work is the realization of a flexible solid target dissolution system to be easily installed on commercial cassette-based synthesis modules. This would offer a complete target processing and radiopharmaceutical synthesis performable in a single module continuously. The presented solid target dissolution system concept relies on an open-bottomed vial positioned upon a target coin. In particular, the idea is to use the movement mechanism of a syringe pump to position the vial up and down on the target, and to exploit the heater/cooler reactor of the module as a target holder. All the steps can be remotely controlled and are incorporated in the cassette manifold together with the purification and radiolabelling steps. The performance of the device was tested by processing three different irradiated targets under different dissolution conditions.
Chemical Composition and Biological Activities of Essential Oils from the Leaves, Stems, and Roots of Kadsura coccinea
Authors: Zhao Tianming , Ma Chao , Zhu Guofei
Published: October 2021

The chemical composition and biological activities of the essential oils from the leaves, stems, and roots of Kadsura coccinea (K. coccinea) were investigated. The essential oils were extracted by hydro distillation and analyzed by gas chromatography mass spectrometry (GC-MS) and gas chromatography with flame ionization detector (GC-FID). Antioxidant activities of the essential oils were examined with DPPH radical scavenging assay, ABTS cation radical scavenging assay, and ferric reducing antioxidant power assay. Antimicrobial activities were evaluated by determining minimum inhibitory concentrations (MIC) and minimum microbiocidal concentrations (MMC). Acetylcholinesterase and butyrylcholinesterase inhibitory activity of the essential oils were also tested. A total of 46, 44, and 47 components were identified in the leaf, stem, and root oils, representing 95.66%, 97.35%, and 92.72% of total composition, respectively. The major compounds of three essential oils were α-pinene (16.60–42.02%), β-pinene (10.03–18.82%), camphene (1.56–10.95%), borneol (0.50–7.71%), δ-cadinene (1.52–7.06%), and β-elemene (1.86–4.45%). The essential oils were found to have weak antioxidant activities and cholinesterase inhibition activities. The essential oils showed more inhibitory effects against Staphylococcus aureus (S. aureus) than those of other strains. The highest antimicrobial activity was observed in the root oil against S. aureus, with MIC of 0.78 mg/mL. Therefore, K. coccinea essential oils might be considered as a natural antibacterial agent against S. aureus with potential application in food and pharmaceutical industries.
Changes in Physicochemical Properties and Volatile Compounds of Roselle (Hibiscus sabdariffa L.) Calyx during Different Drying Methods
Authors: Juhari Nurul Hanisah , Martens Helle Jakobe , Petersen Mikael Agerlin
Published: October 2021

Fresh roselle are high in moisture and deteriorate easily, which makes drying important for extending shelf-life and increasing availability. This study investigated the influence of different drying methods (oven-drying, freeze-drying, vacuum-drying, and sun-drying) on the quality of roselle calyx expressed as physicochemical properties (moisture content, water activity, soluble solids, color), volatile compounds, and microstructure. Oven-drying and freeze-drying reduced moisture content most while vacuum-drying and sun-drying were not as efficient. All drying methods except sun-drying resulted in water activities low enough to ensure safety and quality. Vacuum-drying had no impact on color of the dry calyx and only small impact on color of water extract of calyx. Drying reduced terpenes, aldehydes, and esters but increased furans. This is expected to reduce fruity, floral, spicy, and green odors and increase caramel-like aroma. Sun-drying produced more ketones, alcohols, and esters. Scanning electron microscopy revealed that freeze-drying preserved the cell structure better, and freeze-dried samples resembled fresh samples most compared to other drying techniques. The study concludes that freeze-drying should be considered as a suitable drying method, especially with respect to preservation of structure.
A New Dimeric Copper(II) Complex of Hexyl Bis(pyrazolyl)acetate Ligand as an Efficient Catalyst for Allylic Oxidations
Authors: Bagnarelli Luca , Dolmella Alessandro , Santini Carlo , Vallesi Riccardo , Giacomantonio Roberto , Gabrielli Serena , Pellei Maura
Published: October 2021

A new dimeric copper(II) bromide complex, [Cu(LOHex)Br(μ-Br)]2 (1), was prepared by a reaction of CuBr2 with the hexyl bis(pyrazol-1-yl)acetate ligand (LOHex) in acetonitrile solution and fully characterized in the solid state and in solution. The crystal structure of 1 was also determined: the complex is interlinked by two bridging bromide ligands and possesses terminal bromide ligands on each copper atom. The two pyrazolyl ligands in 1 coordinate with the nitrogen atoms to complete the Cu coordination sphere, resulting in a five-coordinated geometry—away from idealized trigonal bipyramidal and square pyramidal geometries—which can better be described as distorted square pyramidal, as measured by the τ and χ structural parameters. The pendant hexyloxy chain is disordered over two arrangements, with final site occupancies refined to 0.705 and 0.295. The newly synthesized complex was evaluated as a catalyst in copper-catalyzed C–H oxidation for allylic functionalization through a Kharasch–Sosnovsky reaction without any external reducing agent. Using 0.5 mol% of this catalyst, and tert-butyl peroxybenzoate (Luperox) as an oxidant, allylic benzoates were obtained with up to 90% yield. The general reaction time was only slightly decreased to 24 h but a very significant decrease in the alkene:Luperox ratio to 3:1 was achieved. These factors show relevant improvements with respect to classical Kharasch–Sosnovsky reactions in terms of rate and amount of reagents. The present study highlights the potential of copper(II) complexes containing functionalized bis(pyrazol-1-yl)acetate ligands as efficient catalysts for allylic oxidations.
The Magnetic Properties of Fe/Cu Multilayered Nanowires: The Role of the Number of Fe Layers and Their Thickness
Authors: Caspani Sofia , Moraes Suellen , Navas David , Proenca Mariana P. , Magalhães Ricardo , Nunes Cláudia , Araújo João Pedro , Sousa Célia T.
Published: October 2021

Multi-segmented bilayered Fe/Cu nanowires have been fabricated through the electrodeposition in porous anodic alumina membranes. We have assessed, with the support of micromagnetic simulations, the dependence of fabricated nanostructures’ magnetic properties either on the number of Fe/Cu bilayers or on the length of the magnetic layers, by fixing both the nonmagnetic segment length and the wire diameter. The magnetic reversal, in the segmented Fe nanowires (NWs) with a 300 nm length, occurs through the nucleation and propagation of a vortex domain wall (V-DW) from the extremities of each segment. By increasing the number of bilayers, the coercive field progressively increases due to the small magnetostatic coupling between Fe segments, but the coercivity found in an Fe continuous nanowire is not reached, since the interactions between layers is limited by the Cu separation. On the other hand, Fe segments 30 nm in length have exhibited a vortex configuration, with around 60% of the magnetization pointing parallel to the wires’ long axis, which is equivalent to an isolated Fe nanodisc. By increasing the Fe segment length, a magnetic reversal occurred through the nucleation and propagation of a V-DW from the extremities of each segment, similar to what happens in a long cylindrical Fe nanowire. The particular case of the Fe/Cu bilayered nanowires with Fe segments 20 nm in length revealed a magnetization oriented in opposite directions, forming a synthetic antiferromagnetic system with coercivity and remanence values close to zero.
About the Influence of PEG Spacers on the Cytotoxicity of Titanate Nanotubes-Docetaxel Nanohybrids against a Prostate Cancer Cell Line
Authors: Loiseau Alexis , Boudon Julien , Mirjolet Céline , Morgand Véronique , Millot Nadine
Published: October 2021

The association between chemotherapeutic drugs and metal oxide nanoparticles has sparked a rapidly growing interest in cancer nanomedicine. The elaboration of new engineered docetaxel (DTX)-nanocarriers based on titanate nanotubes (TiONts) was reported. The idea was to maintain the drug inside cancer cells and avoid multidrug resistance mechanisms, which often limit drug efficacy by decreasing their intracellular concentrations in tumor cells. HS-PEGn-COOH (PEG: polyethylene glycol, n = 3000, 5000, 10,000) was conjugated, in an organic medium by covalent linkages, on TiONts surface. This study aimed to investigate the influence of different PEG derivatives chain lengths on the TiONts colloidal stability, on the PEGn density and conformation, as well as on the DTX biological activity in a prostate cancer model (human PC-3 prostate adenocarcinoma cells). In vitro tests highlighted significant cytotoxicities of the drug after loading DTX on PEGn-modified TiONts (TiONts-PEGn-DTX). Higher grafting densities for shorter PEGylated chains were most favorable on DTX cytotoxicity by promoting both colloidal stability in biological media and cells internalization. This promising strategy involves a better understanding of nanohybrid engineering, particularly on the PEGylated chain length influence, and can thus become a potent tool in nanomedicine to fight against cancer.
Promising Bialkali Bismuthides Cs(Na, K)2Bi for High-Performance Nanoscale Electromechanical Devices: Prediction of Mechanical and Anisotropic Elastic Properties under Hydrostatic Tension and Compression and Tunable Auxetic Properties
Authors: Yalameha Shahram , Nourbakhsh Zahra , Ramazani Ali , Vashaee Daryoosh
Published: October 2021

Using first-principles calculations, we predict highly stable cubic bialkali bismuthides Cs(Na, K)2Bi with several technologically important mechanical and anisotropic elastic properties. We investigate the mechanical and anisotropic elastic properties under hydrostatic tension and compression. At zero pressure, CsK2Bi is characterized by elastic anisotropy with maximum and minimum stiffness along the directions of [111] and [100], respectively. Unlike CsK2Bi, CsNa2Bi exhibits almost isotropic elastic behavior at zero pressure. We found that hydrostatic tension and compression change the isotropic and anisotropic mechanical responses of these compounds. Moreover, the auxetic nature of the CsK2Bi compound is tunable under pressure. This compound transforms into a material with a positive Poisson’s ratio under hydrostatic compression, while it holds a large negative Poisson’s ratio of about −0.45 along the [111] direction under hydrostatic tension. An auxetic nature is not observed in CsNa2Bi, and Poisson’s ratio shows completely isotropic behavior under hydrostatic compression. A directional elastic wave velocity analysis shows that hydrostatic pressure effectively changes the propagation pattern of the elastic waves of both compounds and switches the directions of propagation. Cohesive energy, phonon dispersion, and Born–Huang conditions show that these compounds are thermodynamically, mechanically, and dynamically stable, confirming the practical feasibility of their synthesis. The identified mechanisms for controlling the auxetic and anisotropic elastic behavior of these compounds offer a vital feature for designing and developing high-performance nanoscale electromechanical devices.
Changes in Dietary Patterns and Clinical Health Outcomes in Different Countries during the SARS-CoV-2 Pandemic
Authors: Filip Roxana , Anchidin-Norocel Liliana , Gheorghita Roxana , Savage Wesley K. , Dimian Mihai
Published: October 2021

Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has led to an excess in community mortality across the globe. We review recent evidence on the clinical pathology of COVID-19, comorbidity factors, immune response to SARS-CoV-2 infection, and factors influencing infection outcomes. The latter specifically includes diet and lifestyle factors during pandemic restrictions. We also cover the possibility of SARS-CoV-2 transmission through food products and the food chain, as well as virus persistence on different surfaces and in different environmental conditions, which were major public concerns during the initial days of the pandemic, but have since waned in public attention. We discuss useful measures to avoid the risk of SARS-CoV-2 spread through food, and approaches that may reduce the risk of contamination with the highly contagious virus. While hygienic protocols are required in food supply sectors, cleaning, disinfection, avoidance of cross-contamination across food categories, and foodstuffs at different stages of the manufacturing process are still particularly relevant because the virus persists at length on inert materials such as food packaging. Moreover, personal hygiene (frequent washing and disinfection), wearing gloves, and proper use of masks, clothes, and footwear dedicated to maintaining hygiene, provide on-site protections for food sector employees as well as supply chain intermediates and consumers. Finally, we emphasize the importance of following a healthy diet and maintaining a lifestyle that promotes physical well-being and supports healthy immune system function, especially when government movement restrictions (“lockdowns”) are implemented.
Standardized Hydrangea serrata (Thunb.) Ser. Extract Ameliorates Obesity in db/db Mice
Authors: Han Hee-Soo , Chung Kyung-Sook , Shin Yu-Kyoung , Lee Sun Hee , Lee Kyung-Tae
Published: October 2021

We previously reported the potential anti-obesity effects of the water extract of Hydrangea serrata (Thunb.) Ser. leaves (WHS) in high-fat diet-induced obese mice. As an extension of our previous study, we investigated the anti-adipogenic and anti-obesity effects of WHS and its underlying molecular mechanisms in 3T3-L1 preadipocytes and genetically obese db/db mice. WHS attenuated the gene expression of adipogenic transcription factors, CCAAT/enhancer binding protein (C/EBP)α, peroxisome proliferator-activated receptor (PPAR)γ, and sterol regulatory element binding protein (SREBP)-1. Moreover, WHS inhibited the mitotic clonal expansion of preadipocytes by inducing G1 cell cycle arrest. Oral administration of WHS alleviated body weight gain and body fat accumulation in vivo. In addition, adipocyte hypertrophy and liver steatosis were ameliorated by WHS treatment. WHS reduced C/EBPα, PPARγ, and SREBP-1 expression and activated AMPKα phosphorylation in both white adipose tissue (WAT) and liver tissue. WHS also mildly upregulated the expression of thermogenic proteins, including uncoupling protein-1, PPARs, PPARγ coactivator-1α, and sirtuin-1, in brown adipose tissue (BAT). Furthermore, WHS altered the gut microbiota composition to resemble that of wild-type mice. Taken together, our findings suggest that WHS could alleviate adiposity by inhibiting adipogenesis in WAT and the liver and modulating the gut microbiota.
PIAS1 Regulates Hepatitis C Virus-Induced Lipid Droplet Accumulation by Controlling Septin 9 and Microtubule Filament Assembly
Authors: Akil Abdellah , Song Peixuan , Peng Juan , Gondeau Claire , Samuel Didier , Gassama-Diagne Ama
Published: October 2021

Chronic hepatitis C virus (HCV) infection often leads to fibrosis and chronic hepatitis, then cirrhosis and ultimately hepatocellular carcinoma (HCC). The processes of the HVC life cycle involve intimate interactions between viral and host cell proteins and lipid metabolism. However, the molecules and mechanisms involved in this tripartite interaction remain poorly understood. Herein, we show that the infection of HCC-derived Huh7.5 cells with HCV promotes upregulation of the protein inhibitor of activated STAT1 (PIAS1). Reciprocally, PIAS1 regulated the expression of HCV core protein and HCV-induced LD accumulation and impaired HCV replication. Furthermore, PIAS1 controlled HCV-promoted septin 9 filament formation and microtubule polymerization. Subsequently, we found that PIAS1 interacted with septin 9 and controlled its assembly on filaments, which thus affected septin 9-induced lipid droplet accumulation. Taken together, these data reveal that PIAS1 regulates the accumulation of lipid droplets and offer a meaningful insight into how HCV interacts with host proteins.
Maca against Echinococcosis?—A Reverse Approach from Patient to In Vitro Testing
Authors: Karpstein Tanja , Chaudhry Sheena , Bresson-Hadni Solange , Hayoz Michael , Boubaker Ghalia , Hemphill Andrew , Rufener Reto , Kaethner Marc , Schindler Isabelle , Aebi Yolanda , Cunha Antonio Sa , Largiadèr Carlo R. , Lundström-Stadelmann Britta
Published: October 2021

Drug-based treatment of alveolar echinococcosis (AE) with benzimidazoles is in most cases non-curative, thus has to be taken lifelong. Here, we report on a 56-year-old male AE patient who received standard benzimidazole treatment and biliary plastic stents, and additionally self-medicated himself with the Peruvian plant extract Maca (Lepidium meyenii). After 42 months, viable parasite tissue had disappeared. Based on this striking observation, the anti-echinococcal activity of Maca was investigated in vitro and in mice experimentally infected with Echinococcus multilocularis metacestodes. Albendazole (ABZ)-treated mice and mice treated with an ABZ+Maca combination exhibited a significantly reduced parasite burden compared to untreated or Maca-treated mice. As shown by a newly established UHPLC-MS/MS-based measurement of ABZ-metabolites, the presence of Maca during the treatment did not alter ABZ plasma levels. In vitro assays corroborated these findings, as exposure to Maca had no notable effect on E. multilocularis metacestodes, and in cultures of germinal layer cells, possibly unspecific, cytotoxic effects of Maca were observed. However, in the combined treatments, Maca inhibited the activity of ABZ in vitro. While Maca had no direct anti-parasitic activity, it induced in vitro proliferation of murine spleen cells, suggesting that immunomodulatory properties could have contributed to the curative effect seen in the patient.
The Application of Terahertz Time-Domain Spectroscopy to Identification of Potato Late Blight and Fusariosis
Authors: Penkov Nikita V. , Goltyaev Mikhail V. , Astashev Maxim E. , Serov Dmitry A. , Moskovskiy Maxim N. , Khort Dmitriy O. , Gudkov Sergey V.
Published: October 2021

Fusarium and late blight (fungal diseases of cereals and potatoes) are among the main causes of crop loss worldwide. A key element of success in the fight against phytopathogens is the timely identification of infected plants and seeds. That is why the development of new methods for identifying phytopathogens is a priority for agriculture. The terahertz time-domain spectroscopy (THz-TDS) is a promising method for assessing the quality of materials. For the first time, we used THz-TDS for assessing the infection of seeds of cereals (oats, wheat and barley) with fusarium and potato tubers of different varieties (Nadezhda and Meteor) with late blight. We evaluated the refractive index, absorption coefficient and complex dielectric permittivity in healthy and infected plants. The presence of phytopathogens on seeds was confirmed by microscopy and PCR. It is shown, that Late blight significantly affected all the studied spectral characteristics. The nature of the changes depended on the variety of the analyzed plants and the localization of the analyzed tissue relative to the focus of infection. Fusarium also significantly affected all the studied spectral characteristics. It was found that THz-TDS method allows you to clearly establish the presence or absence of a phytopathogens, in the case of late blight, to assess the degree and depth of damage to plant tissues.
Occurrence of Babesia Species and Co-Infection with Hepatozoon canis in Symptomatic Dogs and in Their Ticks in Eastern Romania
Authors: Ciuca Lavinia , Martinescu Gabriela , Miron Liviu Dan , Roman Constantin , Acatrinei Dumitru , Cringoli Giuseppe , Rinaldi Laura , Maurelli Maria Paola
Published: October 2021

Although the distribution of Babesia spp. and Hepatozoon canis is well known in Romania, there is still a marked lack of information in many places of the country. This study aimed to investigate the occurrence of these haemoparasites in symptomatic dogs and in their ticks in Iasi, eastern Romania. Ninety owned dogs were subjected to clinical examination at the Faculty of Veterinary Medicine of Iasi and all detectable ticks (58 ticks from 15 dogs) were collected. Additionally, 124 ticks collected from the coat of other dogs (no. = 23) were included. Three Babesia species were found in dogs: Babesia canis (94.4%), Babesia vogeli (3.3%), and Babesia rossi (2.2%). All the dogs resulted negative for H. canis. The ticks were identified as follows: Ixodes ricinus (64%), Dermacentor reticulatus (33%), and Rhipicephalus sanguineus group (3%). B. canis (Minimum Infection Rate; MIR = 81%), B. vogeli (MIR = 3%), and Babesia microti-like piroplasm (MIR = 1%) were found in ticks. Moreover, 15 ticks were positive for H. canis, 6 were co-infected with B. canis, and 1 with B. microti-like piroplasm. This is the first molecular identification of B. rossi in two symptomatic dogs from Romania, although further studies are needed to investigate the vector competence of other ticks from Europe.
Extracellular Vesicles in Human Milk
Authors: Hu Yong , Thaler Johannes , Nieuwland Rienk
Published: October 2021

Milk supports the growth and development of infants. An increasing number of mostly recent studies have demonstrated that milk contains a hitherto undescribed component called extracellular vesicles (EVs). This presents questions regarding why milk contains EVs and what their function is. Recently, we showed that EVs in human milk expose tissue factor, the protein that triggers coagulation or blood clotting, and that milk-derived EVs promote coagulation. Because bovine milk, which also contains EVs, completely lacks this coagulant activity, important differences are present in the biological functions of human milk-derived EVs between species. In this review, we will summarize the current knowledge regarding the presence and biochemical composition of milk EVs, their function(s) and potential clinical applications such as in probiotics, and the unique problems that milk EVs encounter in vivo, including survival of the gastrointestinal conditions encountered in the newborn. The main focus of this review will be human milk-derived EVs, but when available, we will also include information regarding non-human milk for comparison.
Identification of Novel Anthracycline Resistance Genes and Their Inhibitors
Authors: Kadioglu Onat , Elbadawi Mohamed , Fleischer Edmond , Efferth Thomas
Published: October 2021

Differentially expressed genes have been previously identified by us in multidrug-resistant tumor cells mainly resistant to doxorubicin. In the present study, we exemplarily focused on some of these genes to investigate their causative relationship with drug resistance. HMOX1, NEIL2, and PRKCA were overexpressed by lentiviral-plasmid-based transfection of HEK293 cells. An in silico drug repurposing approach was applied using virtual screening and molecular docking of FDA-approved drugs to identify inhibitors of these new drug-resistant genes. Overexpression of the selected genes conferred resistance to doxorubicin and daunorubicin but not to vincristine, docetaxel, and cisplatin, indicating the involvement of these genes in resistance to anthracyclines but not to a broader MDR phenotype. Using virtual drug screening and molecular docking analyses, we identified FDA-approved compounds (conivaptan, bexarotene, and desloratadine) that were interacting with HMOX1 and PRKCA at even stronger binding affinities than 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethenone and ellagic acid as known inhibitors of HMOX1 and PRKCA, respectively. Conivaptan treatment increased doxorubicin sensitivity of both HMOX1- and PRKCA-transfected cell lines. Bexarotene treatment had a comparable doxorubicin-sensitizing effect in HMOX1-transfected cells and desloratadine in PRKCA-transfected cells. Novel drug resistance mechanisms independent of ABC transporters have been identified that contribute to anthracycline resistance in MDR cells.
Synthesis, Computational Analysis, and Antiproliferative Activity of Novel Benzimidazole Acrylonitriles as Tubulin Polymerization Inhibitors: Part 2
Authors: Beč Anja , Hok Lucija , Persoons Leentje , Vanstreels Els , Daelemans Dirk , Vianello Robert , Hranjec Marijana
Published: October 2021

We used classical linear and microwave-assisted synthesis methods to prepare novel N-substituted, benzimidazole-derived acrylonitriles with antiproliferative activity against several cancer cells in vitro. The most potent systems showed pronounced activity against all tested hematological cancer cell lines, with favorable selectivity towards normal cells. The selection of lead compounds was also tested in vitro for tubulin polymerization inhibition as a possible mechanism of biological action. A combination of docking and molecular dynamics simulations confirmed the suitability of the employed organic skeleton for the design of antitumor drugs and demonstrated that their biological activity relies on binding to the colchicine binding site in tubulin. In addition, it also underlined that higher tubulin affinities are linked with (i) bulkier alkyl and aryl moieties on the benzimidazole nitrogen and (ii) electron-donating substituents on the phenyl group that allow deeper entrance into the hydrophobic pocket within the tubulin’s β-subunit, consisting of Leu255, Leu248, Met259, Ala354, and Ile378 residues.
In Vitro Effect of Taraxacum officinale Leaf Aqueous Extract on the Interaction between ACE2 Cell Surface Receptor and SARS-CoV-2 Spike Protein D614 and Four Mutants
Authors: Tran Hoai Thi Thu , Gigl Michael , Le Nguyen Phan Khoi , Dawid Corinna , Lamy Evelyn
Published: October 2021

To date, there have been rapidly spreading new SARS-CoV-2 “variants of concern”. They all contain multiple mutations in the ACE2 receptor recognition site of the spike protein, compared to the original Wuhan sequence, which is of great concern, because of their potential for immune escape. Here we report on the efficacy of common dandelion (Taraxacum officinale) to block protein–protein interaction of SARS-COV-2 spike to the human ACE2 receptor. This could be shown for the wild type and mutant forms (D614G, N501Y, and a mix of K417N, E484K, and N501Y) in human HEK293-hACE2 kidney and A549-hACE2-TMPRSS2 lung cells. High-molecular-weight compounds in the water-based extract account for this effect. Infection of the lung cells using SARS-CoV-2 spike D614 and spike Delta (B.1.617.2) variant pseudotyped lentivirus particles was efficiently prevented by the extract and so was virus-triggered pro-inflammatory interleukin 6 secretion. Modern herbal monographs consider the usage of this medicinal plant as safe. Thus, the in vitro results reported here should encourage further research on the clinical relevance and applicability of the extract as prevention strategy for SARS-CoV-2 infection in terms of a non-invasive, oral post-exposure prophylaxis.
Characterization of a Common S Haplotype BnS-6 in the Self-Incompatibility of Brassica napus
Authors: Liu Zhiquan , Li Bing , Yang Yong , Gao Changbin , Yi Bin , Wen Jing , Shen Jinxiong , Tu Jinxing , Fu Tingdong , Dai Cheng , Ma Chaozhi
Published: October 2021

Self-incompatibility (SI) is a pollen-stigma recognition system controlled by a single and highly polymorphic genetic locus known as the S-locus. The S-locus exists in all Brassica napus (B. napus, AACC), but natural B. napus accessions are self-compatible. About 100 and 50 S haplotypes exist in Brassica rapa (AA) and Brassica oleracea (CC), respectively. However, S haplotypes have not been detected in B. napus populations. In this study, we detected the S haplotype distribution in B. napus and ascertained the function of a common S haplotype BnS-6 through genetic transformation. BnS-1/BnS-6 and BnS-7/BnS-6 were the main S haplotypes in 523 B. napus cultivars and inbred lines. The expression of SRK in different S haplotypes was normal (the expression of SCR in the A subgenome affected the SI phenotype) while the expression of BnSCR-6 in the C subgenome had no correlation with the SI phenotype in B. napus. The BnSCR-6 protein in BnSCR-6 overexpressed lines was functional, but the self-compatibility of overexpressed lines did not change. The low expression of BnSCR-6 could be a reason for the inactivation of BnS-6 in the SI response of B. napus. This study lays a foundation for research on the self-compatibility mechanism and the SI-related breeding in B. napus.