bluuebunny/crossref_metadata_2025 huggingface dataset:
Alteration of the Immune Response and the Microbiota of the Skin during a Natural Infection by Vibrio harveyi in European Seabass (Dicentrarchus labrax)
Authors: Cámara-Ruiz María , Cerezo Isabel M. , Guardiola Francisco A. , García-Beltrán José María , Balebona M. Carmen , Moriñigo Miguel Ángel , Esteban María Ángeles
Published: April 2021

Disease outbreaks continue to represent one of the main bottlenecks for the sustainable development of the aquaculture industry. In marine aquaculture, many species from the Vibrio genus are serious opportunistic pathogens responsible for significant losses to producers. In this study, the effects on the immune response and the skin microbiota of European sea bass (Dicentrarchus labrax) were studied after a natural disease outbreak caused by V. harveyi. Data obtained from infected and non-infected fish were studied and compared. Regarding the local immune response (skin mucus) a decrease in the protease activity was observed in infected fish. Meanwhile, at a systemic level, a decrease in protease and lysozyme activity was reported while peroxidase activity showed a significant increase in serum from infected fish. A clear dysbiosis was observed in the skin mucus microbiota of infected fish in comparison with non-infected fish. Moreover, V. harveyi, was identified as a biomarker for the infected group and Rubritalea for healthy fish. This study highlights the importance of characterizing the mucosal surfaces and microbial composition of the skin mucus (as a non-invasive technique) to detect potential disease outbreaks in fish farms.
Design of Concrete Made with Recycled Brick Waste and Its Environmental Performance
Authors: Janotka Ivan , Martauz Pavel , Bačuvčík Michal
Published: April 2021

In addition to the known uses of natural clays, less publication attention has been paid to clays returned to the production process. Industrially recovered natural clays such as bricks, tiles, sanitary ceramics, ceramic roofing tiles, etc., are applicable in building materials based on concrete as an artificial recycled aggregate or as a pozzolanic type II addition. In this way, the building products with higher added value are obtained from the originally landfilled waste. This paper details the research process of introducing concrete with recycled brick waste (RBW) up to the application output. The emphasis is placed on using a RBW brash as a partial replacement for natural aggregates and evaluating an RBW powder as a type II addition for use in concrete. A set of the results for an RBW is reported by the following: (a) an artificial RBW fine aggregate meets the required standardized parameters for use in industrially made concrete, (b) a RBW powder is suitable for use in concrete as industrially made type II addition TERRAMENT showing the same pozzolanic reactivity as a well-known and broadly used pozzolan-fly ash, and (c) such an RBW as aggregate and as powder are, therefore, suitable for the production of industrially made TRITECH Eco-designed ready-mixed concrete.
Particle Size Distribution of Various Soil Materials Measured by Laser Diffraction—The Problem of Reproducibility
Authors: Polakowski Cezary , Ryżak Magdalena , Sochan Agata , Beczek Michał , Mazur Rafał , Bieganowski Andrzej
Published: April 2021

Particle size distribution is an important soil parameter—therefore precise measurement of this characteristic is essential. The application of the widely used laser diffraction method for soil analysis continues to be a subject of debate. The precision of this method, proven on homogeneous samples, has been implicitly extended to soil analyses, but this has not been sufficiently well confirmed in the literature thus far. The aim of this study is to supplement the information available on the precision of the method in terms of reproducibility of soil measurement and whether the reproducibility of soil measurement is characterized by a normal distribution. To estimate the reproducibility of the laser diffraction method, thirteen various soil samples were characterized, and results were analysed statistically. The coefficient of variation acquired was lowest (3.44%) for silt and highest for sand (23.28%). Five of the thirteen tested samples were characterized by a normal distribution. The fraction content of eight samples was not characterized by normal distribution, but the extent of this phenomenon varied between soils. Although the laser diffraction method is repeatable, the measurement of soil particle size distribution can have limited reproducibility. The main cause seems to be small amounts of sand particles. The error can be amplified by the construction of the dispersion unit. Non-parametric statistical tests should be used by default for soil laser diffraction method analysis.
Distribution of Uranium Isotopes in Sandy Deposits by Sequential Extraction
Authors: Malov Alexander I. , Zykov Sergey B. , Tyshov Alexey S.
Published: April 2021

The sequential extraction procedure is used to reconstruct the processes of redistribution of uranium isotopes in the mineral phases of the aquifer of the Vendian sandy-argillaceous deposits developed in the coastal territory of the European North of Russia. This aquifer has large resources of drinking and mineral groundwater which, however, are used in extremely limited quantities. This is due to the very complex nature of the hydrochemical conditions, and uranium-isotopic methods are used to clarify these conditions. The following mineral phases of core samples were characterized: adsorbed trace materials and carbonate minerals; ferrihydrate, amorphous minerals of Fe, Al and Si, and secondary U minerals; crystalline iron minerals; clay and some refractory minerals; and all remaining resistant minerals. The most resistant minerals, whose fraction ranges from 70.58 to 96.4%, have a minimum average uranium concentration of 0.47 ppm. This uranium is practically conserved in the rock, as a result of which the average ratio of its 234U:238U isotopes is close to equilibrium. In the remaining fractions, uranium is redistributed by groundwater along their flow lines from recharge areas in watersheds to areas of discharge into river valleys. Its maximum concentration (12.89 ppm) measurement is carried out by coprecipitation with iron hydroxides, then the uranium is adsorbed and precipitated with carbonates (9.14 ppm). The average 234U:238U is maximum in adsorbed trace materials and carbonate minerals (2.39 ± 0.36) and is close to that in fresh groundwater (2.8 ± 0.42). It is also increased in the amorphous minerals of Fe (1.53 ± 0.23). In general, there is a dependence of the 234U:238U activity ratio in rock on the degree of participation of groundwater in the deposition of hydrogenic uranium isotopes into the cracks and pores of these rocks. The results obtained contribute to the refinement of such a parameter as the retardation factor, which is necessary for understanding the processes of migration and concentration of uranium in sedimentary basins.
Ancient Roman Mortars from Villa del Capo di Sorrento: A Multi-Analytical Approach to Define Microstructural and Compositional Features
Authors: Rispoli Concetta , Esposito Renata , Guerriero Luigi , Cappelletti Piergiulio
Published: April 2021

This research provides a characterization of ancient Roman mortars from “Villa del Capo di Sorrento” (commonly known as “Villa di Pollio Felice” or “Bagni della Regina Giovanna”). A deepened analysis of cementitious binding matrix and aggregates was conducted with the aims of determining possible sources of raw materials and the mix recipe, and to evaluate the minerogenetic secondary processes. Twenty samples taken from the Villa were investigated by means of a multi-analytical approach, including polarized optical microscopy on thin sections, X-ray powder diffraction, scanning electron microscopy analysis, energy dispersed spectrometry, simultaneous thermal analyses, and mercury intrusion porosimetry. Bedding mortars were made with slaked lime mixed with volcanic materials, whereas coating mortars were made adding to previous recipe as ceramic fragments. All samples were classified as hydraulic mortars. Cementitious binding matrix was characterized by gel-like C-A-S-H, calcite, hydrocalumite, and gypsum, deriving from lime/pozzolanic material. Geomaterials used for mortar production had a local origin. Pozzolanic materials, such as volcanic fragments, scoriae, pumice, and crystal fragments derived from both pyroclastic rocks of the Campi Flegrei district and from rocks of the Somma-Vesuvio complex; porosity test suggest that the products related to minerogenetic secondary processes, make mortars more resistant.
A Bioinspired Peptide in TIR Protein as Recognition Molecule on Electrochemical Biosensors for the Detection of E. coli O157:H7 in an Aqueous Matrix
Authors: Ropero-Vega Jose Luis , Redondo-Ortega Joshua Felipe , Galvis-Curubo Yuli Juliana , Rondón-Villarreal Paola , Flórez-Castillo Johanna Marcela
Published: April 2021

Currently, the detection of pathogens such as Escherichia coli through instrumental alternatives with fast response and excellent sensitivity and selectivity are being studied. Biosensors are systems consisting of nanomaterials and biomolecules that exhibit remarkable properties such as simplicity, portable, affordable, user‑friendly, and deliverable to end‑users. For this, in this work we report for the first time, to our knowledge, the bioinformatic design of a new peptide based on TIR protein, a receptor of Intimin membrane protein which is characteristic of E. coli. This peptide (named PEPTIR‑1.0) was used as recognition element in a biosensor based on AuNPs‑modified screen‑printed electrodes for the detection of E. coli. The morphological and electrochemical characteristics of the biosensor obtained were studied. Results show that the biosensor can detect the bacteria with limits of detection and quantification of 2 and 6 CFU/mL, respectively. Moreover, the selectivity of the system is statistically significant towards the detection of the pathogen in the presence of other microorganisms such as P. aeruginosa and S. aureus. This makes this new PEPTIR‑1.0 based biosensor can be used in the rapid, sensitive, and selective detection of E. coli in aqueous matrices.
The Au25(pMBA)17Diglyme Cluster
Authors: Armstrong James , Ackerson Chris J.
Published: April 2021

A modification of Au25(pMBA)18 that incorporates one diglyme ligand as a direct synthetic product is reported. Notably the expected statistical production of clusters containing other ligand stoichiometries is not observed. This Au25(pMBA)17diglyme product is characterized by electrospray ionization mass spectrometry (ESI-MS) and optical spectroscopy. Thiolate for thiolate ligand exchange proceeds on this cluster, whereas thiolate for diglyme ligand exchange does not.
Characterization of Different Salt Forms of Chitooligosaccharides and Their Effects on Nitric Oxide Secretion by Macrophages
Authors: Xing Ronge , Xu Chaojie , Gao Kun , Yang Haoyue , Liu Yongliang , Fan Zhaoqian , Liu Song , Qin Yukun , Yu Huahua , Li Pengcheng
Published: April 2021

In this paper, chitooligosaccharides in different salt forms, such as chitooligosaccharide lactate, citrate, adipate, etc., were prepared by the microwave method. They were characterized by SEM, FTIR, NMR, etc., and the nitric oxide (NO) expression was determined in RAW 264.7 cells. The results showed that pure chitooligosaccharide was an irregular spherical shape with rough surface, and its different salt type products are amorphous solid with different honeycomb sizes. In addition to the characteristic absorption peaks of chitooligosaccharides, in FTIR, the characteristic absorption of carboxyl group, methylene group, and aromatic group in corresponding acid appeared. The characteristic absorption peaks of carbon in carboxyl group, hydrogen and carbon in methyl, methylene group, and aromatic group in corresponding acid also appeared in NMR. Therefore, the sugar ring structure and linking mode of chitooligosaccharides did not change after salt formation of chitooligosaccharides. Different salt chitooligosaccharides are completely different in promoting NO secretion by macrophages, and pure chitooligosaccharides are the best.
Berberrubine Phosphate: A Selective Fluorescent Probe for Quadruplex DNA
Authors: Wickhorst Peter Jonas , Ihmels Heiko
Published: April 2021

A phosphate-substituted, zwitterionic berberine derivative was synthesized and its binding properties with duplex DNA and G4-DNA were studied using photometric, fluorimetric and polarimetric titrations and thermal DNA denaturation experiments. The ligand binds with high affinity toward both DNA forms (Kb = 2–7 × 105 M−1) and induces a slight stabilization of G4-DNA toward thermally induced unfolding, mostly pronounced for the telomeric quadruplex 22AG. The ligand likely binds by aggregation and intercalation with ct DNA and by terminal stacking with G4-DNA. Thus, this compound represents one of the rare examples of phosphate-substituted DNA binders. In an aqueous solution, the title compound has a very weak fluorescence intensity (Φfl < 0.01) that increases significantly upon binding to G4-DNA (Φfl = 0.01). In contrast, the association with duplex DNA was not accompanied by such a strong fluorescence light-up effect (Φfl < 0.01). These different fluorimetric responses upon binding to particular DNA forms are proposed to be caused by the different binding modes and may be used for the selective fluorimetric detection of G4-DNA.
Experimental Investigation on the Mass Diffusion Behaviors of Calcium Oxide and Carbon in the Solid-State Synthesis of Calcium Carbide by Microwave Heating
Authors: Li Miao , Chen Siyuan , Dai Huan , Zhao Hong , Jiang Biao
Published: April 2021

Microwave (MW) heating was proven to efficiently solid-synthesize calcium carbide at 1750 °C, which was about 400 °C lower than electric heating. This study focused on the investigation of the diffusion behaviors of graphite and calcium oxide during the solid-state synthesis of calcium carbide by microwave heating and compared them with these heated by the conventional method. The phase compositions and morphologies of CaO and C pellets before and after heating were carefully characterized by inductively coupled plasma spectrograph (ICP), thermo gravimetric (TG) analyses, X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). The experimental results showed that in both thermal fields, Ca and C inter-diffused at a lower temperature, but at a higher temperature, the formed calcium carbide crystals would have a negative effect on Ca diffusion to carbon. The significant enhancement of MW heating on carbon diffusion, thus on the more efficient synthesis of calcium carbide, manifested that MW heating would be a promising way for calcium carbide production, and that a sufficient enough carbon material, instead of CaO, was beneficial for calcium carbide formation in MW reactors.
Determination of Anthelmintic and Antiprotozoal Drug Residues in Fish Using Liquid Chromatography-Tandem Mass Spectrometry
Authors: Kim Eunjung , Park Sihyun , Park Hyunjin , Choi Jangduck , Yoon Hae Jung , Kim Jeong-Han
Published: April 2021

The objective of this study is to develop a comprehensive and simple method for the simultaneous determination of anthelmintic and antiprotozoal drug residues in fish. For sample preparation, we used the “quick, easy, cheap, effective, rugged, and safe” (QuEChERS) method with a simple modification. The sample was extracted with water and 1% formic acid in acetonitrile/methanol (MeCN/MeOH) (95:5, v/v), followed by phase separation (salting out) with MgSO4 and NaCl (4:1, w/w). After centrifugation, an aliquot of the extract was purified by dispersive solid-phase extraction (d-SPE) prior to liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. The method was validated at three concentration levels for all matrices, in accordance with the Codex guidelines (CAC/GL-71). Quantitative analysis was performed using the method of matrix-matched calibration. The recoveries were between 60.6% and 119.9%, with coefficients of variation (CV) <30% for all matrices. The limit of quantitation (LOQ) of the method ranged from 0.02 μg kg−1 to 4.8 μg kg−1 for all matrices. This comprehensive method can be used for the investigation of both anthelmintic and antiprotozoal drugs belonging to different chemical families in fishery products.
Discovery of a New Analgesic Peptide, Leptucin, from the Iranian Scorpion, Hemiscorpius lepturus
Authors: Bagheri-Ziari Sedigheh , Shahbazzadeh Delavar , Sardari Soroush , Sabatier Jean-Marc , Pooshang Bagheri Kamran
Published: April 2021

Hemiscorpius lepturus scorpion stings do not induce considerable pain based on epidemiological surveys conducted in the southwest part of Iran. Accordingly, this study was aimed to identify the analgesic molecule in H. lepturus venom by analyzing a cDNA library of the scorpion venom gland looking for sequences having homology with known animal venom analgesic peptides. The analgesic molecule is a cysteine rich peptide of 55 amino acids. the synthetic peptide was deprotected and refolded. RP-HPLC, Ellman’s, and DLS assays confirmed the refolding accuracy. Circular dichroism (CD) showed helix and beta sheet contents. This peptide, called leptucin, demonstrated 95% analgesic activity at the dose of 0.48 mg/kg in hot plate assay. Leptucin at the doses of 0.32, 0.48, and 0.64 mg/kg showed 100% activity in thermal tail flick test. No hemolysis or cytotoxicity was observed at 8 and 16 μg. Histopathology evaluations indicated no hepatotoxicity, nephrotoxicity, and cardiotoxicity. We thus report that leptucin is the analgesic agent of H. lepturus venom. Regarding the high in vivo efficacy of leptucin and the fact it shows no observable toxicity, it could be suggested as a drug lead in a preclinical study of acute pain as well as the study of its mechanism of action.
Multiscale Virtual Screening Optimization for Shotgun Drug Repurposing Using the CANDO Platform
Authors: Hudson Matthew L. , Samudrala Ram
Published: April 2021

Drug repurposing, the practice of utilizing existing drugs for novel clinical indications, has tremendous potential for improving human health outcomes and increasing therapeutic development efficiency. The goal of multi-disease multitarget drug repurposing, also known as shotgun drug repurposing, is to develop platforms that assess the therapeutic potential of each existing drug for every clinical indication. Our Computational Analysis of Novel Drug Opportunities (CANDO) platform for shotgun multitarget repurposing implements several pipelines for the large-scale modeling and simulation of interactions between comprehensive libraries of drugs/compounds and protein structures. In these pipelines, each drug is described by an interaction signature that is compared to all other signatures that are subsequently sorted and ranked based on similarity. Pipelines within the platform are benchmarked based on their ability to recover known drugs for all indications in our library, and predictions are generated based on the hypothesis that (novel) drugs with similar signatures may be repurposed for the same indication(s). The drug-protein interactions used to create the drug-proteome signatures may be determined by any screening or docking method, but the primary approach used thus far has been BANDOCK, our in-house bioanalytical or similarity docking protocol. In this study, we calculated drug-proteome interaction signatures using the publicly available molecular docking method Autodock Vina and created hybrid decision tree pipelines that combined our original bio- and chem-informatic approach with the goal of assessing and benchmarking their drug repurposing capabilities and performance. The hybrid decision tree pipeline outperformed the two docking-based pipelines from which it was synthesized, yielding an average indication accuracy of 13.3% at the top10 cutoff (the most stringent), relative to 10.9% and 7.1% for its constituent pipelines, and a random control accuracy of 2.2%. We demonstrate that docking-based virtual screening pipelines have unique performance characteristics and that the CANDO shotgun repurposing paradigm is not dependent on a specific docking method. Our results also provide further evidence that multiple CANDO pipelines can be synthesized to enhance drug repurposing predictive capability relative to their constituent pipelines. Overall, this study indicates that pipelines consisting of varied docking-based signature generation methods can capture unique and useful signals for accurate comparison of drug-proteome interaction signatures, leading to improvements in the benchmarking and predictive performance of the CANDO shotgun drug repurposing platform.
Supercritical CO2 Extraction as a Tool to Isolate Anti-Inflammatory Sesquiterpene Lactones from Cichorium intybus L. Roots
Authors: Baixinho João P. , Anastácio José D. , Ivasiv Viktoriya , Cankar Katarina , Bosch Dirk , Menezes Regina , de Roode Matthew , dos Santos Cláudia Nunes , Matias Ana A. , Fernández Naiara
Published: April 2021

Cichorium intybus L. or chicory plants are a natural source of health-promoting compounds in the form of supplements such as inulin, as well as other bioactive compounds such as sesquiterpene lactones (SLs). After inulin extraction, chicory roots are considered waste, with most SLs not being harnessed. We developed and optimized a new strategy for SL extraction that can contribute to the conversion of chicory root waste into valuable products to be used in human health-promoting applications. In our work, rich fractions of SLs were recovered from chicory roots using supercritical CO2. A response surface methodology was used to optimize the process parameters (pressure, temperature, flow rate, and co-solvent percentage) for the extraction performance. The best operating conditions were achieved at 350 bar, 40 °C, and 10% EtOH as a co-solvent in a 15 g/min flow rate for 120 min. The extraction with supercritical CO2 revealed to be more selective for the SLs than the conventional solid–liquid extraction with ethyl acetate. In our work, 1.68% mass and a 0.09% sesquiterpenes yield extraction were obtained, including the recovery of two sesquiterpene lactones (8-deoxylactucin and 11β,13-dihydro-8-deoxylactucin), which, to the best of our knowledge, are not commercially available. A mixture of the abovementioned compounds were tested at different concentrations for their toxic profile and anti-inflammatory potential towards a human calcineurin/NFAT orthologue pathway in a yeast model, the calcineurin/Crz1 pathway. The SFE extract obtained, rich in SLs, yielded results of inhibition of 61.74 ± 6.87% with 50 µg/mL, and the purified fraction containing 8-deoxylactucin and 11β,13-dihydro-8-deoxylactucin inhibited the activation of the reporter gene up to 53.38 ± 3.9% at 10 µg/mL. The potential activity of the purified fraction was also validated by the ability to inhibit Crz1 nuclear translocation and accumulation. These results reveal a possible exploitable green technology to recover potential anti-inflammatory compounds from chicory roots waste after inulin extraction.
Methanol Mitigation during Manufacturing of Fruit Spirits with Special Consideration of Novel Coffee Cherry Spirits
Authors: Blumenthal Patrik , Steger Marc , Einfalt Daniel , Rieke-Zapp Jörg , Quintanilla Bellucci Andrès , Sommerfeld Katharina , Schwarz Steffen , Lachenmeier Dirk
Published: April 2021

Methanol is a natural ingredient with major occurrence in fruit spirits, such as apple, pear, plum or cherry spirits, but also in spirits made from coffee pulp. The compound is formed during fermentation and the following mash storage by enzymatic hydrolysis of naturally present pectins. Methanol is toxic above certain threshold levels and legal limits have been set in most jurisdictions. Therefore, the methanol content needs to be mitigated and its level must be controlled. This article will review the several factors that influence the methanol content including the pH value of the mash, the addition of various yeast and enzyme preparations, fermentation temperature, mash storage, and most importantly the raw material quality and hygiene. From all these mitigation possibilities, lowering the pH value and the use of cultured yeasts when mashing fruit substances is already common as best practice today. Also a controlled yeast fermentation at acidic pH facilitates not only reduced methanol formation, but ultimately also leads to quality benefits of the distillate. Special care has to be observed in the case of spirits made from coffee by-products which are prone to spoilage with very high methanol contents reported in past studies.
Bioinformatic Prediction of Signaling Pathways for Apurinic/Apyrimidinic Endodeoxyribonuclease 1 (APEX1) and Its Role in Cholangiocarcinoma Cells
Authors: Tummanatsakun Doungdean , Proungvitaya Tanakorn , Roytrakul Sittiruk , Proungvitaya Siriporn
Published: April 2021

Apurinic/apyrimidinic endodeoxyribonuclease 1 (APEX1) is involved in the DNA damage repair pathways and associates with the metastasis of several human cancers. However, the signaling pathway of APEX1 in cholangiocarcinoma (CCA) has never been reported. In this study, to predict the signaling pathways of APEX1 and related proteins and their functions, the effects of APEX1 gene silencing on APEX1 and related protein expression in CCA cell lines were investigated using mass spectrometry and bioinformatics tools. Bioinformatic analyses predicted that APEX1 might interact with cell division cycle 42 (CDC42) and son of sevenless homolog 1 (SOS1), which are involved in tumor metastasis. RNA and protein expression levels of APEX1 and its related proteins, retrieved from the Gene Expression Profiling Interactive Analysis (GEPIA) and the Human Protein Atlas databases, revealed that their expressions were higher in CCA than in the normal group. Moreover, higher levels of APEX1 expression and its related proteins were correlated with shorter survival time. In conclusion, the signaling pathway of APEX1 in metastasis might be mediated via CDC42 and SOS1. Furthermore, expression of APEX1 and related proteins is able to predict poor survival of CCA patients.
Nanoformulation and Evaluation of Oral Berberine-Loaded Liposomes
Authors: Duong Thuan Thi , Isomäki Antti , Paaver Urve , Laidmäe Ivo , Tõnisoo Arvo , Yen Tran Thi Hai , Kogermann Karin , Raal Ain , Heinämäki Jyrki , Pham Thi-Minh-Hue
Published: April 2021

Berberine (BBR) is a poorly water-soluble quaternary isoquinoline alkaloid of plant origin with potential uses in the drug therapy of hypercholesterolemia. To tackle the limitations associated with the oral therapeutic use of BBR (such as a first-pass metabolism and poor absorption), BBR-loaded liposomes were fabricated by ethanol-injection and thin-film hydration methods. The size and size distribution, polydispersity index (PDI), solid-state properties, entrapment efficiency (EE) and in vitro drug release of liposomes were investigated. The BBR-loaded liposomes prepared by ethanol-injection and thin-film hydration methods presented an average liposome size ranging from 50 nm to 244 nm and from 111 nm to 449 nm, respectively. The PDI values for the liposomes were less than 0.3, suggesting a narrow size distribution. The EE of liposomes ranged from 56% to 92%. Poorly water-soluble BBR was found to accumulate in the bi-layered phospholipid membrane of the liposomes prepared by the thin-film hydration method. The BBR-loaded liposomes generated by both nanofabrication methods presented extended drug release behavior in vitro. In conclusion, both ethanol-injection and thin-film hydration nanofabrication methods are feasible for generating BBR-loaded oral liposomes with a uniform size, high EE and modified drug release behavior in vitro.
Antiviral Properties of the NSAID Drug Naproxen Targeting the Nucleoprotein of SARS-CoV-2 Coronavirus
Authors: Terrier Olivier , Dilly Sébastien , Pizzorno Andrés , Chalupska Dominika , Humpolickova Jana , Bouřa Evžen , Berenbaum Francis , Quideau Stéphane , Lina Bruno , Fève Bruno , Adnet Frédéric , Sabbah Michèle , Rosa-Calatrava Manuel , Maréchal Vincent , Henri Julien , Slama-Schwok Anny
Published: April 2021

There is an urgent need for specific antiviral treatments directed against SARS-CoV-2 to prevent the most severe forms of COVID-19. By drug repurposing, affordable therapeutics could be supplied worldwide in the present pandemic context. Targeting the nucleoprotein N of the SARS-CoV-2 coronavirus could be a strategy to impede viral replication and possibly other essential functions associated with viral N. The antiviral properties of naproxen, a non-steroidal anti-inflammatory drug (NSAID) that was previously demonstrated to be active against Influenza A virus, were evaluated against SARS-CoV-2. Intrinsic fluorescence spectroscopy, fluorescence anisotropy, and dynamic light scattering assays demonstrated naproxen binding to the nucleoprotein of SARS-Cov-2 as predicted by molecular modeling. Naproxen impeded recombinant N oligomerization and inhibited viral replication in infected cells. In VeroE6 cells and reconstituted human primary respiratory epithelium models of SARS-CoV-2 infection, naproxen specifically inhibited viral replication and protected the bronchial epithelia against SARS-CoV-2-induced damage. No inhibition of viral replication was observed with paracetamol or the COX-2 inhibitor celecoxib. Thus, among the NSAID tested, only naproxen combined antiviral and anti-inflammatory properties. Naproxen addition to the standard of care could be beneficial in a clinical setting, as tested in an ongoing clinical study.
Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach
Authors: Martins Fábio G. , Melo André , Sousa Sérgio F.
Published: April 2021

Biofilms are aggregates of microorganisms anchored to a surface and embedded in a self-produced matrix of extracellular polymeric substances and have been associated with 80% of all bacterial infections in humans. Because bacteria in biofilms are less amenable to antibiotic treatment, biofilms have been associated with developing antibiotic resistance, a problem that urges developing new therapeutic options and approaches. Interfering with quorum-sensing (QS), an important process of cell-to-cell communication by bacteria in biofilms is a promising strategy to inhibit biofilm formation and development. Here we describe and apply an in silico computational protocol for identifying novel potential inhibitors of quorum-sensing, using CviR—the quorum-sensing receptor from Chromobacterium violaceum—as a model target. This in silico approach combines protein-ligand docking (with 7 different docking programs/scoring functions), receptor-based virtual screening, molecular dynamic simulations, and free energy calculations. Particular emphasis was dedicated to optimizing the discrimination ability between active/inactive molecules in virtual screening tests using a target-specific training set. Overall, the optimized protocol was used to evaluate 66,461 molecules, including those on the ZINC/FDA-Approved database and to the Mu.Ta.Lig Virtual Chemotheca. Multiple promising compounds were identified, yielding good prospects for future experimental validation and for drug repurposing towards QS inhibition.
Hybrid Drugs—A Strategy for Overcoming Anticancer Drug Resistance?
Authors: Szumilak Marta , Wiktorowska-Owczarek Anna , Stanczak Andrzej
Published: April 2021

Despite enormous progress in the treatment of many malignancies, the development of cancer resistance is still an important reason for cancer chemotherapy failure. Increasing knowledge of cancers’ molecular complexity and mechanisms of their resistance to anticancer drugs, as well as extensive clinical experience, indicate that an effective fight against cancer requires a multidimensional approach. Multi-target chemotherapy may be achieved using drugs combination, co-delivery of medicines, or designing hybrid drugs. Hybrid drugs simultaneously targeting many points of signaling networks and various structures within a cancer cell have been extensively explored in recent years. The single hybrid agent can modulate multiple targets involved in cancer cell proliferation, possesses a simpler pharmacokinetic profile to reduce the possibility of drug interactions occurrence, and facilitates the process of drug development. Moreover, a single medication is expected to enhance patient compliance due to a less complicated treatment regimen, as well as a diminished number of adverse reactions and toxicity in comparison to a combination of drugs. As a consequence, many efforts have been made to design hybrid molecules of different chemical structures and functions as a means to circumvent drug resistance. The enormous number of studies in this field encouraged us to review the available literature and present selected research results highlighting the possible role of hybrid drugs in overcoming cancer drug resistance.
Seaweed Polysaccharide Based Products and Materials: An Assessment on Their Production from a Sustainability Point of View
Authors: Chudasama Nishith A. , Sequeira Rosy Alphons , Moradiya Kinjal , Prasad Kamalesh
Published: April 2021

Among the various natural polymers, polysaccharides are one of the oldest biopolymers present on the Earth. They play a very crucial role in the survival of both animals and plants. Due to the presence of hydroxyl functional groups in most of the polysaccharides, it is easy to prepare their chemical derivatives. Several polysaccharide derivatives are widely used in a number of industrial applications. The polysaccharides such as cellulose, starch, chitosan, etc., have several applications but due to some distinguished characteristic properties, seaweed polysaccharides are preferred in a number of applications. This review covers published literature on the seaweed polysaccharides, their origin, and extraction from seaweeds, application, and chemical modification. Derivatization of the polysaccharides to impart new functionalities by chemical modification such as esterification, amidation, amination, C-N bond formation, sulphation, acetylation, phosphorylation, and graft copolymerization is discussed. The suitability of extraction of seaweed polysaccharides such as agar, carrageenan, and alginate using ionic solvent systems from a sustainability point of view and future prospects for efficient extraction and functionalization of seaweed polysaccharides is also included in this review article.
All-Dielectric Metasurface-Based Beam Splitter with Arbitrary Splitting Ratio
Authors: Chen Xueyu , Zou Haijian , Su Mingyang , Tang Linwei , Wang Chaofeng , Chen Shuqing , Su Chenliang , Li Ying
Published: April 2021

The development of optical systems is heading to multi-branch circuit design and miniaturization. A beam splitter is a common device for dividing an incident beam into two separate beams. Conventional beam splitters are constructed using coated prisms or glass plate. Their bulky size, right-angled output direction, and fixed splitting ratio greatly limit the design of optical arrangement and also hinder the system integration. Here, an all-dielectric metasurface composed of symmetric nano-rings as a beam splitter are designed by Finite-Difference Time-Domain method. By changing the inner and outer radiuses of the nano-rings, the wavefront phase of the emergence beam can be adjusted to form a phase gradient, and the incident beam of arbitrary polarization is divided into two beams according to the designed transmittance and angle. The initial phase of the emergence beam can be changed by adjusting the refractive index of the substrate or adding the silicon film to the substrate, and the splitting ratio can be adjusted from 0.5:1 to 1:1. The simulation demonstrates that the metasurface-based beam splitter is independent of polarization and the power efficiency is over 92% with a compact area of 33.6 μm × 33.6 μm. This compact metasurface-based beam splitter has promising potential for enabling new types of compact optical systems and advancing metasurface-based functional integrated photonic applications.
Large-Scale Synthesis of Semiconducting Cu(In,Ga)Se2 Nanoparticles for Screen Printing Application
Authors: Gonçalves Bruna F. , LaGrow Alec P. , Pyrlin Sergey , Owens-Baird Bryan , Botelho Gabriela , Marques Luis S. A. , Ramos Marta M. D. , Kovnir Kirill , Lanceros-Mendez Senentxu , Kolen’ko Yury V.
Published: April 2021

During the last few decades, the interest over chalcopyrite and related photovoltaics has been growing due the outstanding structural and electrical properties of the thin-film Cu(In,Ga)Se2 photoabsorber. More recently, thin film deposition through solution processing has gained increasing attention from the industry, due to the potential low-cost and high-throughput production. To this end, the elimination of the selenization procedure in the synthesis of Cu(In,Ga)Se2 nanoparticles with following dispersion into ink formulations for printing/coating deposition processes are of high relevance. However, most of the reported syntheses procedures give access to tetragonal chalcopyrite Cu(In,Ga)Se2 nanoparticles, whereas methods to obtain other structures are scarce. Herein, we report a large-scale synthesis of high-quality Cu(In,Ga)Se2 nanoparticles with wurtzite hexagonal structure, with sizes of 10–70 nm, wide absorption in visible to near-infrared regions, and [Cu]/[In + Ga] ≈ 0.8 and [Ga]/[Ga + In] ≈ 0.3 metal ratios. The inclusion of the synthesized NPs into a water-based ink formulation for screen printing deposition results in thin films with homogenous thickness of ≈4.5 µm, paving the way towards environmentally friendly roll-to-roll production of photovoltaic systems.
Detection of Sub-Micro- and Nanoplastic Particles on Gold Nanoparticle-Based Substrates through Surface-Enhanced Raman Scattering (SERS) Spectroscopy
Authors: Caldwell Jessica , Taladriz-Blanco Patricia , Rothen-Rutishauser Barbara , Petri-Fink Alke
Published: April 2021

Small plastic particles such as micro- (<5 mm), sub-micro- (1 µm–100 nm) and nanoplastics (<100 nm) are known to be ubiquitous within our surrounding environment. However, to date relatively few methods exist for the reliable detection of nanoplastic particles in relevant sample matrices such as foods or environmental samples. This lack of relevant data is likely a result of key limitations (e.g., resolution and/or scattering efficiency) for common analytical techniques such as Fourier transform infrared or Raman spectroscopy. This study aims to address this knowledge gap in the field through the creation of surface-enhanced Raman scattering spectroscopy substrates utilizing spherical gold nanoparticles with 14 nm and 46 nm diameters to improve the scattering signal obtained during Raman spectroscopy measurements. The substrates are then used to analyze polystyrene particles with sizes of 161 nm or 33 nm and poly(ethylene terephthalate) particles with an average size of 62 nm. Through this technique, plastic particles could be detected at concentrations as low as 10 µg/mL, and analytical enhancement factors of up to 446 were achieved.
Enhancement of Electrical Conductivity of Aluminum-Based Nanocomposite Produced by Spark Plasma Sintering
Authors: Ulloa-Castillo Nicolás A. , Hernández-Maya Roberto , Islas-Urbano Jorge , Martínez-Romero Oscar , Segura-Cárdenas Emmanuel , Elías-Zúñiga Alex
Published: April 2021

This article focuses on exploring how the electrical conductivity and densification properties of metallic samples made from aluminum (Al) powders reinforced with 0.5 wt % concentration of multi-walled carbon nanotubes (MWCNTs) and consolidated through spark plasma sintering (SPS) process are affected by the carbon nanotubes dispersion and the Al particles morphology. Experimental characterization tests performed by scanning electron microscopy (SEM) and by energy dispersive spectroscopy (EDS) show that the MWCNTs were uniformly ball-milled and dispersed in the Al surface particles, and undesirable phases were not observed in X-ray diffraction measurements. Furthermore, high densification parts and an improvement of about 40% in the electrical conductivity values were confirmed via experimental tests performed on the produced sintered samples. These results elucidate that modifying the powder morphology using the ball-milling technique to bond carbon nanotubes into the Al surface particles aids the ability to obtain highly dense parts with increasing electrical conductivity properties.
Molecular Impacts of Dietary Exposure to Nanoplastics Combined or Not with Arsenic in the Caribbean Mangrove Oysters (Isognomon alatus)
Authors: Lebordais Marc , Venel Zélie , Gigault Julien , Langlois Valerie S. , Baudrimont Magalie
Published: April 2021

Nanoplastics (NPs) are anthropogenic contaminants that raise concern, as they cross biological barriers. Metals’ adsorption on NPs’ surface also carries ecotoxicological risks to aquatic organisms. This study focuses on the impacts of three distinct NPs on the Caribbean oyster Isognomon alatus through dietary exposure. As such, marine microalgae Tisochrysis lutea were exposed to environmentally weathered mixed NPs from Guadeloupe (NPG), crushed pristine polystyrene nanoparticles (PSC), and carboxylated polystyrene nanoparticles of latex (PSL). Oysters were fed with NP-T. lutea at 10 and 100 µg L−1, concentrations considered environmentally relevant, combined or not with 1 mg L−1 pentoxide arsenic (As) in water. We investigated key gene expression in I. alatus’ gills and visceral mass. NP treatments revealed significant induction of cat and sod1 in gills and gapdh and sod1 in visceral mass. As treatment significantly induced sod1 expression in gills, but once combined with any of the NPs at both concentrations, basal mRNA levels were observed. Similarly, PSL treatment at 100 µg L−1 that significantly induced cat expression in gills or sod1 in visceral mass showed repressed mRNA levels when combined with As (reduction of 2222% and 34%, respectively, compared to the control). This study suggested a protective effect of the interaction between NPs and As, possibly by decreasing both contaminants’ surface reactivity.
Mixed Metal Oxide by Calcination of Layered Double Hydroxide: Parameters Affecting Specific Surface Area
Authors: Lee Su-Bin , Ko Eun-Hye , Park Joo Y. , Oh Jae-Min
Published: April 2021

Mixed metal oxide (MMO) is one of the widely utilized ceramic materials in various industries. In order to obtain high performance, the specific surface area of MMO should be controlled. Calcination of layered double hydroxide (LDH) is a versatile way to prepare MMO with homogeneous metal distribution and well-developed porosity. Although researchers found that the specific surface area of LDH-originated MMO was relatively high, it had not been systematically investigated how the surface area is controlled under a certain parameter. In this review, we summarized LDH-originated MMO with various starting composition, calcination temperature, and pore developing agent in terms of specific surface area and porosity. Briefly, it was represented that MMOs with Mg-Al components generally had higher specific surface area than Mg-Fe or Zn-Al components. Calcination temperature in the range 300–600 °C resulted in the high specific surface area, while upper or lower temperature reduced the values. Pore developing agent did not result in dramatic increase in MMO; however, the pore size distribution became narrower in the presence of pore developing agents.
Boosting Magnetoelectric Effect in Polymer-Based Nanocomposites
Authors: Omelyanchik Alexander , Antipova Valentina , Gritsenko Christina , Kolesnikova Valeria , Murzin Dmitry , Han Yilin , Turutin Andrei V. , Kubasov Ilya V. , Kislyuk Alexander M. , Ilina Tatiana S. , Kiselev Dmitry A. , Voronova Marina I. , Malinkovich Mikhail D. , Parkhomenko Yuriy N. , Silibin Maxim , Kozlova Elena N. , Peddis Davide , Levada Kateryna , Makarova Liudmila , Amirov Abdulkarim , Rodionova Valeria
Published: April 2021

Polymer-based magnetoelectric composite materials have attracted a lot of attention due to their high potential in various types of applications as magnetic field sensors, energy harvesting, and biomedical devices. Current researches are focused on the increase in the efficiency of magnetoelectric transformation. In this work, a new strategy of arrangement of clusters of magnetic nanoparticles by an external magnetic field in PVDF and PFVD-TrFE matrixes is proposed to increase the voltage coefficient (αME) of the magnetoelectric effect. Another strategy is the use of 3-component composites through the inclusion of piezoelectric BaTiO3 particles. Developed strategies allow us to increase the αME value from ~5 mV/cm·Oe for the composite of randomly distributed CoFe2O4 nanoparticles in PVDF matrix to ~18.5 mV/cm·Oe for a composite of magnetic particles in PVDF-TrFE matrix with 5%wt of piezoelectric particles. The applicability of such materials as bioactive surface is demonstrated on neural crest stem cell cultures.
Carbon Nanotori Structures for Thermal Transport Applications on Lubricants
Authors: Taha-Tijerina Jaime , Aviña Karla , Martínez Juan Manuel , Arquieta-Guillén Patsy Yessenia , González-Escobedo Marlon
Published: April 2021

Carbon nanostructures have been recently applied to improve industrial manufacturing processes and other materials; such is the case for lubricants used in the metal-mechanic industry. Nanotori are toroidal carbon nanostructures, obtained from chemical treatment of multi-wall carbon nanotubes (MWCNTs). This material has been shown to have superb anti-wear and friction reduction performance, having the ability to homogeneously disperse within water in concentrations between 1–2 wt.%. Obtained results of these novel nanostructures under water mixtures and novel additives were a set point to our studies in different industrial lubricants. In the present work, nanotori structures have been applied in various filler fractions as reinforcement to evaluate the behavior in thermal transport of water-based (WB) and oil-based (OB) lubricants. Temperature-dependent experiments to evaluate the thermal conductivity were performed using a thermal water bath ranging from room temperature up to 323 K. The obtained results showed a highly effective and favorable improvement in the heat transport of both lubricants; oil-based results were better than water-based results, with nanotori structures increasing the lubricants’ thermal transport properties by 70%, compared to pure lubricant.
Sulfur-Doped Graphdiyne as a High-Capacity Anode Material for Lithium-Ion Batteries
Authors: Kong Fanan , Yue Yong , Li Qingyin , Ren Shijie
Published: April 2021

Heteroatom doping is regarded as a promising approach to enhance the electrochemical performance of carbon materials, while the poor controllability of heteroatoms remains the main challenge. In this context, sulfur-doped graphdiyne (S-GDY) was successfully synthesized on the surface of copper foil using a sulfur-containing multi-acetylene monomer to form a uniform film. The S-GDY film possesses a porous structure and abundant sulfur atoms decorated homogeneously in the carbon skeleton, which facilitate the fast diffusion and storage of lithium ions. The lithium-ion batteries (LIBs) fabricated with S-GDY as anode exhibit excellent performance, including the high specific capacity of 920 mA h g−1 and superior rate performances. The LIBs also show long-term cycling stability under the high current density. This result could potentially provide a modular design principle for the construction of high-performance anode materials for lithium-ion batteries.