bluuebunny/crossref_metadata_2025 huggingface dataset:
Drainage Network Patterns Determinism: A Comparison in Arid, Semi-Arid and Semi-Humid Area of Morocco Using Multifactorial Approach
Authors: Bouramtane Tarik , Tiouiouine Abdessamad , Kacimi Ilias , Valles Vincent , Talih Amine , Kassou Nadia , Ouardi Jamila , Saidi Amal , Morarech Moad , Yameogo Suzanne , Kbiri Hamza El , Rhazal Hajar , Achach Hala , Barbiero Laurent
Published: November 2020

Drainage network patterns influence the hydrological response of the watersheds and must be taken into account in the management of the water resource. In this context, it is important to identify the factors that control the configuration of drainage networks in and beyond specific climatic conditions. Here, we study 318 basins spread over three sectors (arid, semi-arid, and semi-humid) of Morocco where seven drainage network patterns have been identified. From each basin, 14 parameters were extracted, describing the relief, geology, morphometry, drainage network, land cover, precipitation, and time of concentration (Tc). Principal component analysis (PCA) and discriminant analysis (DA) processing were performed on the entire database and on each sector separately. The results show that the drainage network pattern is a feature of the landscape that contributes significantly to the variance of the basins. They suggest that the distribution of network patterns is controlled by the relationship between the different parameters, mainly those related to the relief, more than by the variations of each parameter taken individually. The network discrimination rate is 63.8%, which improves when each sector is treated separately. Confusion in discrimination are similar across all sectors and can be explained by similar conditions (active tectonic, deformation, and uplift) or transitions from one network pattern to another, due to the landscape evolution of certain sectors. A contribution of climatic variables appears locally but was attributed to a statistical coincidence, these parameters presenting a distribution close to that of the relief and geology variables.
Multi-Omics Data Integration in Extracellular Vesicle Biology—Utopia or Future Reality?
Authors: Chitoiu Leona , Dobranici Alexandra , Gherghiceanu Mihaela , Dinescu Sorina , Costache Marieta
Published: November 2020

Extracellular vesicles (EVs) are membranous structures derived from the endosomal system or generated by plasma membrane shedding. Due to their composition of DNA, RNA, proteins, and lipids, EVs have garnered a lot of attention as an essential mechanism of cell-to-cell communication, with various implications in physiological and pathological processes. EVs are not only a highly heterogeneous population by means of size and biogenesis, but they are also a source of diverse, functionally rich biomolecules. Recent advances in high-throughput processing of biological samples have facilitated the development of databases comprised of characteristic genomic, transcriptomic, proteomic, metabolomic, and lipidomic profiles for EV cargo. Despite the in-depth approach used to map functional molecules in EV-mediated cellular cross-talk, few integrative methods have been applied to analyze the molecular interplay in these targeted delivery systems. New perspectives arise from the field of systems biology, where accounting for heterogeneity may lead to finding patterns in an apparently random pool of data. In this review, we map the biological and methodological causes of heterogeneity in EV multi-omics data and present current applications or possible statistical methods for integrating such data while keeping track of the current bottlenecks in the field.
Hybrid Porous Microparticles Based on a Single Organosilica Cyclophosphazene Precursor
Authors: Poscher Vanessa , Pappas George S. , Brüggemann Oliver , Teasdale Ian , Salinas Yolanda
Published: November 2020

Porous organosilica microparticles consisting of silane-derived cyclophosphazene bridges were synthesized by a surfactant-mediated sol-gel process. Starting from the substitution of hexachlorocyclotriphosphazene with allylamine, two different precursors were obtained by anchoring three or six alkoxysilane units, via a thiol-ene photoaddition reaction. In both cases, spherical, microparticles (size average of ca. 1000 nm) with large pores were obtained, confirmed by both, scanning and transmission electron microscopy. Particles synthesized using the partially functionalized precursor containing free vinyl groups were further functionalized with a thiol-containing molecule. While most other reported mesoporous organosilica particles are essentially hybrids with tetraethyl orthosilicate (TEOS), a unique feature of these particles is that structural control is achieved by exclusively using organosilane precursors. This allows an increase in the proportion of the co-components and could springboard these novel phosphorus-containing organosilica microparticles for different areas of technology.
Cybersecurity Challenges in Industry: Measuring the Challenge Solve Time to Inform Future Challenges
Authors: Espinha Gasiba Tiago , Lechner Ulrike , Pinto-Albuquerque Maria
Published: November 2020

Cybersecurity vulnerabilities in industrial control systems have been steadily increasing over the last few years. One possible way to address this issue is through raising the awareness (through education) of software developers, with the intent to increase software quality and reduce the number of vulnerabilities. CyberSecurity Challenges (CSCs) are a novel serious game genre that aims to raise industrial software developers’ awareness of secure coding, secure coding guidelines, and secure coding best practices. An important industry-specific requirement to consider in designing these kinds of games is related to the whole event’s duration and how much time it takes to solve each challenge individually—the challenge solve time. In this work, we present two different methods to compute the challenge solve time: one method based on data collected from the CSC dashboard and another method based on a challenge heartbeat. The results obtained by both methods are presented; both methods are compared to each other, and the advantages and limitations of each method are discussed. Furthermore, we introduce the notion of a player profile, which is derived from dashboard data. Our results and contributions aim to establish a method to measure the challenge solve time, inform the design of future challenges, and improve coaching during CSC gameplay.
Unexpected Species Identities and Interspecific Relationships in a Subterranean Beetle Lineage, the Pterostichus macrogenys Species Group (Coleoptera, Carabidae), Revealed by Fine-Scale Field Sampling and Detailed Morphological Comparisons
Authors: Sasakawa Kôji , Mitsuduka Yoshiji , Itô Hirotarô
Published: November 2020

An endemic subterranean Japanese carabid beetle lineage, the Pterostichus macrogenys species group, was recently revealed to have marked regional differentiation. Studies of such features reveal insect species diversity and provide insight into the mechanisms driving species diversity. We examined specimens of this species group collected from the southern Tohoku District of Honshu, Japan, where its diversity has not yet been fully elucidated, using fine-scale field sampling and detailed comparative morphological analysis of male genitalia. In total, 103 specimens from 13 localities were classified into one new (P. monolineatus sp. n.) and eight known species. In four of the known species, we observed disjunct distributions, which have not previously been reported in this species group and may be more common than previously recognized. Species coexistence was observed at four sites, with two species of different body sizes coexisting at three sites and three species coexisting at the remaining site. The three coexisting species included one large and two small species, the latter of which have male genitalia of a different size. This newly discovered coexistence pattern implies separate effects of differential body and genital size in species coexistence, which has rarely been reported in insects.
Considerations and Influencing Parameters in EDS Microanalysis of Biogenic Hydroxyapatite
Authors: Miculescu Florin , Luță Cristina , Constantinescu Andreea Elena , Maidaniuc Andreea , Mocanu Aura-Cătălina , Miculescu Marian , Voicu Ștefan Ioan , Ciocan Lucian Toma
Published: November 2020

Calcium phosphates (CPs) used as biomaterials have been intensively studied in recent years. In most studies, the determination of the chemical composition is mandatory. Due to the versatility and possibilities of performing qualitative and quantitative compositional analyses, energy dispersive spectrometry (EDS) is a widely used technique in this regard. The range of calcium phosphates is very diverse, the first method of approximating the type of compound being EDS microanalysis, by assessing the atomic Ca/P ratio. The value of this ratio can be influenced by several factors correlated with instrumental parameters and analysed samples. This article highlights the influence of the electron beam acceleration voltage (1 kV–30 kV) and of the particle size of calcium phosphate powders on the EDS analysis results. The characterised powders were obtained from bovine bones heat-treated at 1200 °C for 2 h, which have been ground and granulometrically sorted by mechanical vibration. The granulometric sorting generated three types of samples, with particle sizes < 20 μm, < 40 μm and < 100 μm, respectively. These were morphologically and dimensionally analysed by scanning electron microscopy (SEM) and compositionally by EDS, after the spectrometer was calibrated with a standard reference material (SRM) from NIST (National Institute of Standards and Technology). The results showed that the adjusting of acceleration voltage and of the powder particle size significantly influences the spectrum profile and the results of EDS analyses, which can lead to an erroneous primary identification of the analysed calcium phosphate type.
Cork Oak Endophytic Fungi as Potential Biocontrol Agents against Biscogniauxia mediterranea and Diplodia corticola
Authors: Costa Daniela , Tavares Rui M. , Baptista Paula , Lino-Neto Teresa
Published: November 2020

An increase in cork oak diseases caused by Biscogniauxia mediterranea and Diplodia corticola has been reported in the last decade. Due to the high socio-economic and ecologic importance of this plant species in the Mediterranean Basin, the search for preventive or treatment measures to control these diseases is an urgent need. Fungal endophytes were recovered from cork oak trees with different disease severity levels, using culture-dependent methods. The results showed a higher number of potential pathogens than beneficial fungi such as cork oak endophytes, even in healthy plants. The antagonist potential of a selection of eight cork oak fungal endophytes was tested against B. mediterranea and D. corticola by dual-plate assays. The tested endophytes were more efficient in inhibiting D. corticola than B. mediterranea growth, but Simplicillium aogashimaense, Fimetariella rabenhorstii, Chaetomium sp. and Alternaria alternata revealed a high potential to inhibit the growth of both. Simplicillium aogashimaense caused macroscopic and microscopic mycelial/hyphal deformations and presented promising results in controlling both phytopathogens’ growth in vitro. The evaluation of the antagonistic potential of non-volatile and volatile compounds also revealed that A. alternata compounds could be further explored for inhibiting both pathogens. These findings provide valuable knowledge that can be further explored in in vivo assays to find a suitable biocontrol agent for these cork oak diseases.
The Conserved MAP Kinase MpkB Regulates Development and Sporulation without Affecting Aflatoxin Biosynthesis in Aspergillus flavus
Authors: Jun Sang-Cheol , Kim Jong-Hwa , Han Kap-Hoon
Published: November 2020

In eukaryotes, the MAP kinase signaling pathway plays pivotal roles in regulating the expression of genes required for growth, development, and stress response. Here, we deleted the mpkB gene (AFLA_034170), an ortholog of the Saccharomyces cerevisiae FUS3 gene, to characterize its function in Aspergillus flavus, a cosmopolitan, pathogenic, and aflatoxin-producing fungus. Previous studies revealed that MpkB positively regulates sexual and asexual differentiation in Aspergillus nidulans. In A. flavus, mpkB deletion resulted in an approximately 60% reduction in conidia production compared to the wild type without mycelial growth defects. Moreover, the mutant produced immature and abnormal conidiophores exhibiting vesicular dome-immaturity in the conidiophore head, decreased phialide numbers, and very short stalks. Interestingly, the ΔmpkB mutant could not produce sclerotia but produced aflatoxin B1 normally. Taken together, these results suggest that the A. flavus MpkB MAP kinase positively regulates conidiation and sclerotia formation but is not involved in the production of secondary metabolites such as aflatoxin B1.
Challenges and Solutions for Integrating and Financing Personalized Medicine in Healthcare Systems: A Systematic Literature Review
Authors: Kalouguina Veronika , Wagner Joël
Published: November 2020

The scope and ambitions of biomedical institutions worldwide currently working toward the integration of personalized medicine (PM) require recognizing the potential profound impact on regulatory standards and on the economic functioning and financing of healthcare. Against this background, researchers and policymakers must manage the arising challenges for the healthcare systems. In this paper we study the literature related to the consequences of PM on health insurance and care systems. Using the PRISMA research protocol, we search the existing body of literature and analyze publications dealing with insurance (419 papers) in the field of PM. After a detailed reading of the 52 studies included in our analysis, we synthesize challenges in three fields that must be addressed to avoid hindering the implantation of PM. The key issues that we highlight concern (1) a lack of clear and consistent data on the economic relevance of PM, (2) a value-oriented and cost-efficient definition of reimbursement thresholds, (3) the implementation of PM in the prevailing healthcare system. In the meantime, we provide several solutions to these concerns; we present (a) risk-sharing contracts that can deal with the emerging coverage challenges, (b) criteria that could constitute future reimbursement thresholds and (c) examples of successful implementations of PM into healthcare systems. Our findings are relevant for policymakers and health insurance companies for redefining the guidelines for the healthcare schemes of the future.
Context-Based Interpretation of Subordinating Conjunctions in Communication
Authors: Saeed Aziz Thabit , Al-Salman Saleh
Published: November 2020

While acknowledging that different conjunctions define different relationships between ideas, this study focuses on the interpretation of four subordinating conjunctions, namely, because, since, for and as in causal clauses. Since the meanings of these conjunctions vary according to context, among other things, they usually pose problems to language users leading to misinterpretations. Not only does this emerge from the fine and minute distinctions in usage between them, but also due to the lack of adequate knowledge of the rules of language use in their metatheoretical framework. This kind of knowledge is crucial in interactive communication, speech acts, pragmatics, logical arguments and multidisciplinary debates. The data for this study were compiled from grammar books, articles, and from the British National Corpus (BNC). The data were analyzed not only to identify the discrete features of each conjunction that would render it different from its synonymous counterparts, but also to understand the kind of knowledge required to determine the choice. The findings of the study reveal that, in addition to the syntactic constraints, the degree of the ‘givenness’ or ‘newness’ of the information that the conjunction introduces, context, degree of formality of the register, and lexical density of the utterance that contains the conjunctions emerged to play a role.
Interplay of Jahn-Teller Ordering and Spin Crossover in Co(II) Compounds
Authors: Klokishner Sophia , Ostrovsky Serghei M.
Published: November 2020

The spin crossover phenomena in Co(II) compounds are in the focus of the present paper. A microscopic theoretical approach for the description of spin transitions in mononuclear Co(II) compounds is suggested. Within the framework of this approach there are taken into account two types of interionic interactions that may be operative in the problem such as the electron-deformational interaction and the cooperative Jahn-Teller interaction arising from the coupling of the low-spin state of the Co(II) ion with the tetragonal vibrations of the nearest surrounding. The different role of these interactions in the spin transformation is demonstrated and discussed. On the basis of developed approach a qualitative and quantitative explanation of the experimental data on the temperature dependence of the magnetic susceptibility for the [Co(pyterpy)2](PF6)2, [Co(pyterpy)2](TCNQ)2⋅DMF⋅MeOH and [Co(pyterpy)2](TCNQ)2⋅MeCN⋅MeOH compounds is given.
A Risk-Aversion Approach for the Multiobjective Stochastic Programming Problem
Authors: León Javier , Puerto Justo , Vitoriano Begoña
Published: November 2020

Multiobjective stochastic programming is a field that is well suited to tackling problems that arise in many fields: energy, financial, emergencies, among others; given that uncertainty and multiple objectives are usually present in such problems. A new concept of solution is proposed in this work, which is especially designed for risk-averse solutions. The proposed concept combines the notions of conditional value-at-risk and ordered weighted averaging operator to find solutions protected against risks due to uncertainty and under-achievement of criteria. A small example is presented in order to illustrate the concept in small discrete feasible spaces. A linear programming model is also introduced to obtain the solution in continuous spaces. Finally, computational experiments are performed by applying the obtained linear programming model to the multiobjective stochastic knapsack problem, gaining insight into the behaviour of the new solution concept.
Antimicrobial Biomasses from Lactic Acid Fermentation of Black Soldier Fly Prepupae and Related By-Products
Authors: Hadj Saadoun Jasmine , Luparelli Anna Valentina , Caligiani Augusta , Macavei Laura Ioana , Maistrello Lara , Neviani Erasmo , Galaverna Gianni , Sforza Stefano , Lazzi Camilla
Published: November 2020

Worldwide, thousands of insect species are consumed as food or are used as feed ingredients. Hermetia illucens, ‘black soldier fly’, is one of them, and a large amount of puparia and dead adults flies are accumulated during rearing. These materials represent important wastes but no studies are still present in the literature regarding their functional properties and potential reuse. Lactic acid bacteria (LAB) are a heterogeneous group of bacteria contributing to various industrial applications, ranging from food fermentation, chemicals production to pharmaceuticals manufacturing. A LAB feature of industrial interest is their ability to produce antimicrobial metabolites. Considering the scientific and commercial interest in discovering novel antimicrobials, this work will be direct towards fermentation of insect-derived biomasses: puparia and adults insect at the end of life cycle. To the best of our knowledge, the in vitro antimicrobial activity of fermented insects is tested for the first time. This study aimed also to evaluate differences in the composition between fermented and unfermented insects, and to study whether the fermentation and the type of LAB used played a crucial role in modifying the composition of the substrate. Results firstly highlighted fermentability of this species of insects, showed that fermented black soldier flies puparium possess a high antimicrobial activity against tested pathogens. Moreover, result of chemical composition showed that fermented biomass had a higher percentage of fat and a more complex fatty acids profile.
Genetic Adaptation of Coxsackievirus B1 during Persistent Infection in Pancreatic Cells
Authors: Honkimaa Anni , Kimura Bryn , Sioofy-Khojine Amir-Babak , Lin Jake , Laiho Jutta , Oikarinen Sami , Hyöty Heikki
Published: November 2020

Coxsackie B (CVB) viruses have been associated with type 1 diabetes. We have recently observed that CVB1 was linked to the initiation of the autoimmune process leading to type 1 diabetes in Finnish children. Viral persistency in the pancreas is currently considered as one possible mechanism. In the current study persistent infection was established in pancreatic ductal and beta cell lines (PANC-1 and 1.1B4) using four different CVB1 strains, including the prototype strain and three clinical isolates. We sequenced 5′ untranslated region (UTR) and regions coding for structural and non-structural proteins and the second single open reading frame (ORF) protein of all persisting CVB1 strains using next generation sequencing to identify mutations that are common for all of these strains. One mutation, K257R in VP1, was found from all persisting CVB1 strains. The mutations were mainly accumulated in viral structural proteins, especially at BC, DE, EF loops and C-terminus of viral capsid protein 1 (VP1), the puff region of VP2, the knob region of VP3 and infection-enhancing epitope of VP4. This showed that the capsid region of the viruses sustains various changes during persistency some of which could be hallmark(s) of persistency.
Magnetic Susceptibility of Spider Webs and Dust: Preliminary Study in Wrocław, Poland
Authors: Rutkowski Radosław , Bihałowicz Jan Stefan , Rachwał Marzena , Rogula-Kozłowska Wioletta , Rybak Justyna
Published: November 2020

Previous studies have proven that spider webs can be a reliable tool for magnetic biomonitoring. This study aims to present the magnetic susceptibility values of urban road dust (URD) settled indoors and outdoors, and compare these values with spider webs exposed to indoor and outdoor pollutants, and therefore to discuss their potential environmental implications. The webs of Eratigena atrica, Tegenaria ferruginea, and Agelena labyrinthica (Agelenidae) spiders from outdoor and indoor study sites were investigated, along with dust deposited on filters (indoors) and dust collected from the surrounding neighborhood (outdoors). Magnetic measurements revealed elevated levels of magnetic pollutants at all investigated sites in the city of Wrocław. The indoor/outdoor ratios of mass-specific magnetic susceptibility for the studied samples suggested a prevalence of indoor pollution sources at two of the sites (prosthetic laboratory and environmental science laboratory), whereas the third site (tenement house neighborhood) was dominated by material that presumably originated from predominantly outdoor sources. The indoor/outdoor ratios of magnetic susceptibility for the investigated matrices at the examined sites were highly comparable, which is promising for the utilization of spider webs in magnetic monitoring.
Behaviour of Low Molecular Weight Compounds, Iron and Copper of Wine Spirit Aged with Chestnut Staves under Different Levels of Micro-Oxygenation
Authors: Canas Sara , Danalache Florina , Anjos Ofélia , Fernandes Tiago A. , Caldeira Ilda , Santos Nádia , Fargeton Laurent , Boissier Benjamin , Catarino Sofia
Published: November 2020

Alternative technologies for a more sustainable wine spirits’ ageing have been studied but a lack of knowledge on the effect of oxygenation level remains. This work examined the behaviour of low molecular weight compounds, iron and copper of a wine spirit aged in 50 L demijohns with chestnut wood staves combined with three levels of micro-oxygenation or nitrogen. Compounds and mineral elements were quantified by HPLC and FAAS, respectively, in samples collected at 8, 21, 60, 180, 270 and 365 days of ageing. Results showed that most of the compounds underwent significant changes in their content over time and behave differently depending on the wine spirit’s oxygenation level: higher contents of gallic acid, syringic acid and vanillin were associated with lower micro-oxygenation level while higher contents of ellagic acid, syringaldehyde, coniferaldehyde and sinapaldehyde resulted from higher one; lowest contents of these compounds were found in the nitrogen modality. Weak correlation between copper and the studied compounds was evidenced whereas closer relationship between iron, vanillin, gallic, syringic and ellagic acids at end of ageing was observed. This study provides innovative information on the role of oxygen in wine spirit’s ageing, and on chestnut wood effect on wine spirit’s mineral composition.
Recent Advances in Rapid Synthesis of Non-proteinogenic Amino Acids from Proteinogenic Amino Acids Derivatives via Direct Photo-Mediated C–H Functionalization
Authors: Yuan Zhenbo , Liu Xuanzhong , Liu Changmei , Zhang Yan , Rao Yijian
Published: November 2020

Non-proteinogenic amino acids have attracted tremendous interest for their essential applications in the realm of biology and chemistry. Recently, rising C–H functionalization has been considered an alternative powerful method for the direct synthesis of non-proteinogenic amino acids. Meanwhile, photochemistry has become popular for its predominant advantages of mild conditions and conservation of energy. Therefore, C–H functionalization and photochemistry have been merged to synthesize diverse non-proteinogenic amino acids in a mild and environmentally friendly way. In this review, the recent developments in the photo-mediated C–H functionalization of proteinogenic amino acids derivatives for the rapid synthesis of versatile non-proteinogenic amino acids are presented. Moreover, postulated mechanisms are also described wherever needed.
Cinnamides Target Leishmania amazonensis Arginase Selectively
Authors: da Silva Edson Roberto , Come Júlio Abel Alfredo dos Santos Simone , Brogi Simone , Calderone Vincenzo , Chemi Giulia , Campiani Giuseppe , Oliveira Trícia Maria Ferrreira de Sousa , Pham Thanh-Nhat , Pudlo Marc , Girard Corine , Maquiaveli Claudia do Carmo
Published: November 2020

Caffeic acid and related natural compounds were previously described as Leishmania amazonensis arginase (L-ARG) inhibitors, and against the whole parasite in vitro. In this study, we tested cinnamides that were previously synthesized to target human arginase. The compound caffeic acid phenethyl amide (CAPA), a weak inhibitor of human arginase (IC50 = 60.3 ± 7.8 μM) was found to have 9-fold more potency against L-ARG (IC50 = 6.9 ± 0.7 μM). The other compounds that did not inhibit human arginase were characterized as L-ARG, showing an IC50 between 1.3–17.8 μM, and where the most active was compound 15 (IC50 = 1.3 ± 0.1 μM). All compounds were also tested against L. amazonensis promastigotes, and only the compound CAPA showed an inhibitory activity (IC50 = 80 μM). In addition, in an attempt to gain an insight into the mechanism of competitive L-ARG inhibitors, and their selectivity over mammalian enzymes, we performed an extensive computational investigation, to provide the basis for the selective inhibition of L-ARG for this series of compounds. In conclusion, our results indicated that the compounds based on cinnamoyl or 3,4-hydroxy cinnamoyl moiety could be a promising starting point for the design of potential antileishmanial drugs based on selective L-ARG inhibitors.
Role of Daucus carota in Enhancing Antiulcer Profile of Pantoprazole in Experimental Animals
Authors: Asdaq Syed Mohammed Basheeruddin , Swathi Earla , Dhamanigi Sunil S , Asad Mohammed , Ali Mohzari Yahya , Alrashed Ahmed A. , Alotaibi Abdulrahman S. , Mohammed Alhassan Batool , Nagaraja Sreeharsha
Published: November 2020

The carrot plant (Daucus carota) and its components are traditionally reported for the management of gastric ulcers. This study was performed to evaluate the role of carrot when administered concurrently with a conventional antiulcer treatment, pantoprazole, in alleviating gastric and duodenal ulcers in female experimental animals. The study involved standard animal models to determine the ulcer preventive effect using pylorus ligation, ethanol, and stress induced acute gastric ulcer models and duodenal ulcer models involving cysteamine. Acetic acid-induced chronic gastric ulcer and indomethacin-induced gastric ulcer models were used to evaluate the ulcer healing effect. Carrot fruit (500 mg/kg) and its co-administration with pantoprazole produced significant protection in an ethanol- and stress-induced acute gastric ulcer and cysteamine-induced duodenal ulcer. The healing of the acetic acid-induced chronic gastric ulcer was also augmented with this combination. Both total proteins and mucin contents were significantly increased in indomethacin-induced gastric ulcers. Similarly, in pylorus ligation, the pepsin content of gastric juice, total acidity, and free acidity were reduced. Overall, both ulcer preventive effects and ulcer healing properties of the pantoprazole were significantly enhanced in animals who received the co-administration of carrot fruit (500 mg/kg).
Organic Electrochemical Transistors (OECTs) Toward Flexible and Wearable Bioelectronics
Authors: Marquez Ariana Villarroel , McEvoy Niall , Pakdel Amir
Published: November 2020

Organic electronics have emerged as a fascinating area of research and technology in the past two decades and are anticipated to replace classic inorganic semiconductors in many applications. Research on organic light-emitting diodes, organic photovoltaics, and organic thin-film transistors is already in an advanced stage, and the derived devices are commercially available. A more recent case is the organic electrochemical transistors (OECTs), whose core component is a conductive polymer in contact with ions and solvent molecules of an electrolyte, thus allowing it to simultaneously regulate electron and ion transport. OECTs are very effective in ion-to-electron transduction and sensor signal amplification. The use of synthetically tunable, biocompatible, and depositable organic materials in OECTs makes them specially interesting for biological applications and printable devices. In this review, we provide an overview of the history of OECTs, their physical characterization, and their operation mechanism. We analyze OECT performance improvements obtained by geometry design and active material selection (i.e., conductive polymers and small molecules) and conclude with their broad range of applications from biological sensors to wearable devices.
Crystal Structure of Isoform CBd of the Basic Phospholipase A2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets
Authors: Nemecz Dorota , Ostrowski Maciej , Ravatin Marc , Saul Frederick , Faure Grazyna
Published: November 2020

Crotoxin, from the venom of the South American rattlesnake Crotalus durissus terrificus, is a potent heterodimeric presynaptic β-neurotoxin that exists in individual snake venom as a mixture of isoforms of a basic phospholipase A2 (PLA2) subunit (CBa2, CBb, CBc, and CBd) and acidic subunit (CA1–4). Specific natural mutations in CB isoforms are implicated in functional differences between crotoxin isoforms. The three-dimensional structure of two individual CB isoforms (CBa2, CBc), and one isoform in a crotoxin (CA2CBb) complex, have been previously reported. This study concerns CBd, which by interaction with various protein targets exhibits many physiological or pharmacological functions. It binds with high affinity to presynaptic receptors showing neurotoxicity, but also interacts with human coagulation factor Xa (hFXa), exhibiting anticoagulant effect, and acts as a positive allosteric modulator and corrector of mutated chloride channel, cystic fibrosis transmembrane conductance regulator (CFTR), implicated in cystic fibrosis. Thus, CBd represents a novel family of agents that have potential in identifying new drug leads related to anticoagulant and anti-cystic fibrosis function. We determined here the X-ray structure of CBd and compare it with the three other natural isoforms of CB. The structural role of specific amino acid variations between CB isoforms are analyzed and the structural framework of CB for interaction with protein targets is described.
Identification of Novel Influenza Polymerase PB2 Inhibitors Using a Cascade Docking Virtual Screening Approach
Authors: Zhao Lei , Che Jinjing , Zhang Qian , Li Yiming , Guo Xiaojia , Chen Lixia , Li Hua , Cao Ruiyuan , Li Xingzhou
Published: November 2020

To discover novel inhibitors that target the influenza polymerase basic protein 2 (PB2) cap-binding domain (CBD), commercial ChemBridge compound libraries containing 384,796 compounds were screened using a cascade docking of LibDock–LigandFit–GOLD, and 60 compounds were selected for testing with cytopathic effect (CPE) inhibition assays and surface plasmon resonance (SPR) assay. Ten compounds were identified to rescue cells from H1N1 virus-mediated death at non-cytotoxic concentrations with EC50 values ranging from 0.30 to 67.65 μM and could bind to the PB2 CBD of H1N1 with Kd values ranging from 0.21 to 6.77 μM. Among these, four compounds (11D4, 12C5, 21A5, and 21B1) showed inhibition of a broad spectrum of influenza virus strains, including oseltamivir-resistant ones, the PR/8-R292K mutant (H1N1, recombinant oseltamivir-resistant strain), the PR/8-I38T mutant (H1N1, recombinant baloxavir-resistant strain), and the influenza B/Lee/40 virus strain. These compounds have novel chemical scaffolds and relatively small molecular weights and are suitable for optimization as lead compounds. Based on sequence and structure comparisons of PB2 CBDs of various influenza virus subtypes, we propose that the Phe323/Gln325, Asn429/Ser431, and Arg355/Gly357 mutations, particularly the Arg355/Gly357 mutation, have a marked impact on the selectivities of PB2 CBD-targeted inhibitors of influenza A and influenza B.
Synthesis, Characterization and Assessment of the Antioxidant Activity of Cu(II), Zn(II) and Cd(II) Complexes Derived from Scorpionate Ligands
Authors: Tăbăcaru Aurel , Khan Rais Ahmad , Lupidi Giulio , Pettinari Claudio
Published: November 2020

Seeking to enrich the yet less explored field of scorpionate complexes bearing antioxidant properties, we, here, report on the synthesis, characterization and assessment of the antioxidant activity of new complexes derived from three scorpionate ligands. The interaction between the scorpionate ligands thallium(I) hydrotris(5-methyl-indazolyl)borate (TlTp4Bo,5Me), thallium(I) hydrotris(4,5-dihydro-2H-benzo[g]indazolyl)borate (TlTpa) and potassium hydrotris(3-tert-butyl- pyrazolyl)borate (KTptBu), and metal(II) chlorides, in dichloromethane at room temperature, produced a new family of complexes having the stoichiometric formula [M(Tp4Bo,5Me)2] (M = Cu, 1; Zn, 4; Cd, 7), [M(Tpa)2] (M = Cu, 2; Zn, 5; Cd, 8), [Cu(HpztBu)3Cl2] (3), [Zn(TptBu)Cl] (6) and [Cd(BptBu)(HpztBu)Cl] (9). The obtained metal complexes were characterized by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance and elemental analysis, highlighting the total and partial hydrolysis of the scorpionate ligand TptBu during the synthesis of the Cu(II) complex 3 and the Cd(II) complex 9, respectively. An assessment of the antioxidant activity of the obtained metal complexes was performed through both enzymatic and non-enzymatic assays against 1,1-diphenyl-2-picryl- hydrazyl (DPPH·), 2,2′-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS+·), hydroxyl (HO·), nitric oxide (NO·), superoxide (O2−) and peroxide (OOH·) radicals. In particular, the complex [Cu(Tpa)2]⋅0.5H2O (2) exhibited significant antioxidant activity, as good and specific activity against superoxide (O2−·), (IC50 values equal to 5.6 ± 0.2 μM) and might be identified as auspicious SOD-mimics (SOD = superoxide dismutase).
Computational Approaches to Molecular Properties, Chemical Reactivity, and Drug Virtual Screening
Authors: Ponti Alessandro
Published: November 2020

In the first paragraph of his 1929 paper “Quantum Mechanics of Many-Electron Systems”, Dirac wrote that “The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble [...]
Applications of Gelatin Methacryloyl (GelMA) Hydrogels in Microfluidic Technique-Assisted Tissue Engineering
Authors: Liu Taotao , Weng Wenxian , Zhang Yuzhuo , Sun Xiaoting , Yang Huazhe
Published: November 2020

In recent years, the microfluidic technique has been widely used in the field of tissue engineering. Possessing the advantages of large-scale integration and flexible manipulation, microfluidic devices may serve as the production line of building blocks and the microenvironment simulator in tissue engineering. Additionally, in microfluidic technique-assisted tissue engineering, various biomaterials are desired to fabricate the tissue mimicking or repairing structures (i.e., particles, fibers, and scaffolds). Among the materials, gelatin methacrylate (GelMA)-based hydrogels have shown great potential due to their biocompatibility and mechanical tenability. In this work, applications of GelMA hydrogels in microfluidic technique-assisted tissue engineering are reviewed mainly from two viewpoints: Serving as raw materials for microfluidic fabrication of building blocks in tissue engineering and the simulation units in microfluidic chip-based microenvironment-mimicking devices. In addition, challenges and outlooks of the exploration of GelMA hydrogels in tissue engineering applications are proposed.
Recent Advances in the Design of Plasmonic Au/TiO2 Nanostructures for Enhanced Photocatalytic Water Splitting
Authors: Abed Jehad , Rajput Nitul S , Moutaouakil Amine El , Jouiad Mustapha
Published: November 2020

Plasmonic nanostructures have played a key role in extending the activity of photocatalysts to the visible light spectrum, preventing the electron–hole combination and providing with hot electrons to the photocatalysts, a crucial step towards efficient broadband photocatalysis. One plasmonic photocatalyst, Au/TiO2, is of a particular interest because it combines chemical stability, suitable electronic structure, and photoactivity for a wide range of catalytic reactions such as water splitting. In this review, we describe key mechanisms involving plasmonics to enhance photocatalytic properties leading to efficient water splitting such as production and transport of hot electrons through advanced analytical techniques used to probe the photoactivity of plasmonics in engineered Au/TiO2 devices. This work also discusses the emerging strategies to better design plasmonic photocatalysts and understand the underlying mechanisms behind the enhanced photoactivity of plasmon-assisted catalysts.
Synthesis and Characterization of Molten Salt Nanofluids for Thermal Energy Storage Application in Concentrated Solar Power Plants—Mechanistic Understanding of Specific Heat Capacity Enhancement
Authors: Ma Binjian , Shin Donghyun , Banerjee Debjyoti
Published: November 2020

Molten salts mixed with nanoparticles have been shown as a promising candidate as the thermal energy storage (TES) material in concentrated solar power (CSP) plants. However, the conventional method used to prepare molten salt nanofluid suffers from a high material cost, intensive energy use, and laborious process. In this study, solar salt-Al2O3 nanofluids at three different concentrations are prepared by a one-step method in which the oxide nanoparticles are generated in the salt melt directly from precursors. The morphologies of the obtained nanomaterials are examined under scanning electron microscopy and the specific heat capacities are measured using the temperature history (T-history) method. A non-linear enhancement in the specific heat capacity of molten salt nanofluid is observed from the thermal characterization at a nanoparticle mass concentration of 0.5%, 1.0%, and 1.5%. In particular, a maximum enhancement of 38.7% in specific heat is found for the nanofluid sample prepared with a target nanoparticle mass fraction of 1.0%. Such an enhancement trend is attributed to the formation of secondary nanostructure between the alumina nanoparticles in the molten salt matrix following a locally-dispersed-parcel pattern. These findings provide new insights to understanding the enhanced energy storage capacity of molten salt nanofluids.
Three-Dimensionally Ordered Macroporous ZnO Framework as Dual-Functional Sulfur Host for High-Efficiency Lithium–Sulfur Batteries
Authors: Han Haisheng , Wang Tong , Zhang Yongguang , Nurpeissova Arailym , Bakenov Zhumabay
Published: November 2020

A three-dimensionally ordered macroporous ZnO (3DOM ZnO) framework was synthesized by a template method to serve as a sulfur host for lithium–sulfur batteries. The unique 3DOM structure along with an increased active surface area promotes faster and better electrolyte penetration accelerating ion/mass transfer. Moreover, ZnO as a polar metal oxide has a strong adsorption capacity for polysulfides, which makes the 3DOM ZnO framework an ideal immobilization agent and catalyst to inhibit the polysulfides shuttle effect and promote the redox reactions kinetics. As a result of the stated advantages, the S/3DOM ZnO composite delivered a high initial capacity of 1110 mAh g−1 and maintained a capacity of 991 mAh g−1 after 100 cycles at 0.2 C as a cathode in a lithium–sulfur battery. Even at a high C-rate of 3 C, the S/3DOM ZnO composite still provided a high capacity of 651 mAh g−1, as well as a high areal capacity (4.47 mAh cm−2) under high loading (5 mg cm−2).
Hybrid Dietary-Blood Inflammatory Profiles and Postmenopausal Breast Cancer: A Case-Control Study
Authors: Stasiewicz Beata , Wadolowska Lidia , Biernacki Maciej , Slowinska Malgorzata Anna , Drozdowski Marek
Published: November 2020

The carcinogenesis process is associated with inflammation, which can be modified by diet. There is limited evidence regarding the inflammatory status and diet in association with breast cancer (BC). The aim of this study was to investigate the association of hybrid dietary-blood inflammatory profiles (HD-BIPs) with postmenopausal breast cancer occurrence. The case-control study was conducted among 420 women (230 controls, 190 primary BC cases) aged 40–79 years from north-eastern Poland. Blood levels of C-reactive protein (CRP), interleukin-6 (IL-6) and leukocyte count were marked in 129 postmenopausal women (82 controls, 47 cases). The 62-item food frequency questionnaire (FFQ-6) was used to the dietary data collection. Two HD-BIPs were found using the Principal Component Analysis (PCA). The “Pro-healthy/Neutral-inflammatory” profile was characterized by the frequent consumption of wholemeal cereals/coarse groats, legumes, vegetables, fruits, nuts/seeds and fish. The “Unhealthy/Pro-inflammatory” profile was characterized by the frequent consumption of red/processed meats, animal fats, sugar/honey/sweets, refined cereals/fine groats, and an increased concentration of CRP, IL-6 and granulocyte-to-lymphocyte ratio. The lower odds ratio (OR) of breast cancer was associated with the higher adherence to the “Pro-healthy/Neutral-inflammatory” profile (OR = 0.38; 95% Cl: 0.18–0.80; p < 0.01 for the higher level vs. lower level, crude model; OR for one-point score increment: 0.61; 95% Cl: 0.42–0.87; p < 0.01, adjusted model). The higher OR of breast cancer was associated with the higher adherence to the “Unhealthy/Pro-inflammatory” profile (OR = 3.07; 95%Cl: 1.27–7.44; p < 0.05 for the higher level v.s. lower level, adjusted model; OR for one-point score increment: 1.18; 95%Cl: 1.02–1.36; p < 0.05, adjusted model). This study revealed that the consumption of highly processed, high in sugar and animal fat foods should be avoided because this unhealthy diet was positively associated with postmenopausal breast cancer occurrence through its pro-inflammatory potential. Instead, the frequent consumption of low-processed plant foods and fish should be recommended since this pro-healthy diet was inversely associated with the cancer occurrence even though its anti-inflammatory potential has not been confirmed in this study sample.
Blood SIRT1 Shows a Coherent Association with Leptin and Adiponectin in Relation to the Degree and Distribution of Adiposity: A Study in Obesity, Normal Weight and Anorexia Nervosa
Authors: Mariani Stefania , Di Giorgio Maria Rosaria , Rossi Erica , Tozzi Rossella , Contini Savina , Bauleo Lisa , Cipriani Fiammetta , Toscano Raffaella , Basciani Sabrina , Barbaro Giuseppe , Watanabe Mikiko , Valenti Agostino , Cotugno Armando , Ancona Carla , Lubrano Carla , Gnessi Lucio
Published: November 2020

Sirtuin 1 (SIRT1) is a sensor of cell energy availability, and with leptin and adiponectin, it regulates metabolic homeostasis. Widely studied in tissues, SIRT1 is under evaluation as a plasmatic marker. We aimed at assessing whether circulating SIRT1 behaves consistently with leptin and adiponectin in conditions of deficiency, excess or normal fat content. Eighty subjects were evaluated: 27 with anorexia nervosa (AN), 26 normal-weight and 27 with obesity. Bloodstream SIRT1, leptin and adiponectin (ELISA), total and trunk fat mass (FM) %, abdominal visceral adipose tissue, liver steatosis and epicardial fat thickness (EFT) were assessed. For each fat store, the coefficient of determination (R2) was used to evaluate the prediction capability of SIRT1, leptin and adiponectin. Plasma SIRT1 and adiponectin coherently decreased with the increase of FM, while the opposite occurred with leptin. Mean levels of each analyte were different between groups (p < 0.005). A significant association between plasma variables and FM depots was observed. SIRT1 showed a good predictive strength for FM, particularly in the obesity group, where the best R2 was recorded for EFT (R2 = 0.7). Blood SIRT1, adiponectin and leptin behave coherently with FM and there is synchrony between them. The association of SIRT1 with FM is substantially superimposable to that of adiponectin and leptin. Given its homeostatic roles, SIRT1 may deserve to be considered as a plasma clinical/biochemical parameter of adiposity and metabolic health.
Influence of Glutamine and Branched-Chain Amino Acids Supplementation during Refeeding in Activity-Based Anorectic Mice
Authors: L’Huillier Clément , Jarbeau Marine , Pingeon Floriane , Bahlouli Wafa , Salameh Emmeline , Amamou Asma , Goichon Alexis , Tirelle Pauline , do Rego Jean-Luc , Déchelotte Pierre , Coëffier Moïse
Published: November 2020

Background: Optimizing the refeeding of patients with anorexia nervosa remains important to limit somatic complications of malnutrition, as well as to avoid disease relapses by targeting persistent mood and intestinal disorders. We aimed to evaluate the effects of glutamine (Gln) and branched-chain amino acids (BCAA) supplementation during refeeding in activity-based anorectic (ABA) mice. Method: Male C57Bl/6 mice were randomized in control and ABA groups. Once ABA-induced malnutrition was established, mice were progressively refed or not. Refed mice had free access to drinking water supplemented or not with 1% Gln or 2.5% BCAA for 10 days. Results: A progressive refeeding was associated with a partial restoration of body weight and lean mass, while a fat mass rebound was observed. In addition, refeeding restored glucose and leptin. Gln did not affect these parameters, while BCAA tended to increase body weight, fat mass, and glycaemia. In the colon, refeeding improved total protein synthesis and restored the LC3II/LC3I ratio, a marker of autophagy. Gln supplementation enhanced colonic protein synthesis, which was associated with an increased p-p70S6kinase/p70S6kinase ratio, whereas these effects were blunted by BCCA supplementation. Conclusions: In ABA mice, Gln and BCAA supplementations during a progressive refeeding fail to restore body weight and lean mass. However, Gln supplementation improves total colonic protein synthesis conversely to BCAA. Further studies are needed to decipher the underlying mechanisms involved in these opposite results.