Miracle-dz/UniFAR-FTUs huggingface dataset:
Formation of reactive chlorine species in saline solution treated by non-equilibrium atmospheric pressure He/O2 plasma jet

The aqueous-phase chemistry of reactive chlorine species initiated in saline solution by the gas phase discharge plasma above the liquid surface was investigated. A micro-atmospheric pressure 13.56 MHz plasma jet operating with a 0.6% O2 in He was used to promote reactions of plasma-generated oxygen atoms with chloride anions at the gas-liquid interface. Physiological NaCl solution and phosphate buffered saline (PBS) were used. Three chlorine oxoacids or their conjugate bases were detected in the plasma treated saline: hypochlorites HOCl/OCl−, chlorites ClO2−, and chlorates ClO3−, being formed in the concentration ratio 4.5:1:1, respectively. In addition, chlorine dioxide ClO2 was formed in minor amounts. The final pH value of the plasma treated saline was typically 10.2. The total hypochlorite production, [HOCl] + [OCl−], was directly proportional to the initial NaCl concentration, supporting the idea of a direct reaction of Cl− with O atoms. Subsequent post-discharge chemical processes in the bulk plasma treated saline solution were found to lead to the disproportionation of hypochlorite into different oxidation states of chlorine with formation of ClO3− as the final product. The reactivity of O atoms in NaCl solution was studied using taurine and phenol as chemical probes. Experiments with 50 mM taurine revealed a very high initial formation rate of OCl− in PBS (up to 4 μM s−1). Chlorinated products of phenol (2- and 4-chlorophenol) in addition to the hydroxylated products (hydroquinone and catechol) demonstrated chlorination of phenol by hypochlorite. The rate of Cl− oxidation by O atoms was estimated to be 2–3 orders slower than the reaction of O atoms with phenol.
Boswellic Acids Pretreatment Enhances the Bioavailability and Hypoglycemic Action of Metformin in Rats: Involvement of CYP3A Inhibition

Herbal antidiabetic preparations are often used as an add-on therapy in diabetes. Hence in the present investigation the effect of boswellic acids (BA) on the bioavailability and hypoglycemic action of metformin in normal as well as diabetic rats was studied. In normal and streptozotocin induced diabetic rats the combination of metformin with BA increased all the pharmacokinetic parameters such as Cmax, AUC0-n, AUCtotal, t1⁄2, MRT and decreased the clearance, Vd markedly as compared to control group. In intestinal and liver microsomes BA at 10μM has shown CYP3A4 inhibitory activity significantly (p<0.01), compared with the vehicle group. In pharmacodynamic studies, the combination of metformin with BA provided significant protection against the diabetes induced alterations in the biochemical parameters. In addition, the combination of metformin with BA also improved the total antioxidant status and decreased lipid peroxide levels significantly in diabetic rats compared with BA and metformin alone treated groups. The results revealed that BA led to the PK/PD changes have been due to metformin increased bioavailability, decreased volume of distribution and clearance by inhibiting the CYP3A enzyme. In conclusion, add-on preparations containing boswellia may increase the bioavailability and hypoglycemic action of metformin, and hence should be cautiously used.
Salt Bridges Regulate in Silico DimersFormation for β2-MicroglobulinAmyloidogenic Variants

β2-microglobulin is a paradigmatic amyloidogenic protein responsible for dialysis-related amyloidosis, a disease associated to long-term hemodialyzed patients and characterized by accumulation of amyloid deposits in the osteoarticular tissues. In the early stages of amyloid fibril formation,β2-microglobulin associates into dimers and higher oligomers, but clarifications are still needed for the triggering conditions, mechanisms and specificity of dimer formation. To characterize the dimeric association process, the protein-protein interactions between three different species are investigated: namely, the native protein and the two amyloidogenic variants ΔN6 and D76N. The dimerization process is rationalized relying on state of the art computational methods. A comparative mechanism for how different mutations in the three variants can affect protein dimerization and thus fibril formation is proposed. Journal of Self-Assembly and Molecular Electronics, Vol. 6 1, 35–60. doi: 10.13052/jsame2245-4551.6. 003 This is an Open Access publication. c © 2019 the Author(s). All rights reserved. 36 M. C. Maschio et al. The number of salt bridges involved at the protein-protein interface correlates with the degree of amyloidogenicity of each individual species. The findings can offer possible strategies in controlling the dimerization mechanism based on different β2-microglobulin protein mutations, which have significant roles in the fibrillogenical process.
Various antibacterial mechanisms of biosynthesized copper oxide nanoparticles against soilborne Ralstonia solanacearum

The substantial antimicrobial efficacy of nanoparticles against phytopathogens has been extensively investigated for advanced agricultural applications. However, few reports have focused on soilborne pathogenic bacteria. The aim of this study was to obtain sustainably synthesized copper oxide nanoparticles (CuONPs) using papaya leaf extracts and investigate the bactericidal activity of these CuONPs against Ralstonia solanacearum, the cause of bacterial wilt, under laboratory and greenhouse conditions. The results showed that CuONPs possessed strong antibacterial activity and that all R. solanacearum were killed after exposure to 250 μg mL−1 CuONPs. CuONPs could interact with bacterial cells to prevent biofilm formation, reduce swarming motility and disturb ATP production. Ultrastructural observations by transmission electron microscopy (TEM) revealed that after interactions with CuONPs, bacterial cells suffered significantly from nanomechanical damage to the cytomembrane, accompanied by the absorption of multiple nanoparticles. In addition, molecular studies identified the downregulation mechanism of a series of genes involving pathogenesis and motility. The control efficiency of CuONPs in tobacco bacterial wilt disease management under greenhouse conditions was verified by root irrigation application, demonstrating that as-prepared CuONPs significantly reduced the disease occurrence and disease index. Our studies focused on developing biosynthesized nanoparticles as a biocompatible alternative for soilborne disease management.
Ionic Liquid Binary Mixtures, Zeolites, and Ultrasound Irradiation: A Combination to Promote Carbohydrate Conversion into 5-Hydroxymethylfurfural

The efficient conversion of biomass into value-added compounds under mild and safer conditions is a cornerstone of present research efforts to meet the needs of the chemical industry with sustainable development. In this work, we studied the dehydration of fructose, glucose, and sucrose into 5-hydroxymethylfurfural (5-HMF), catalyzed by HY zeolite, in three ionic liquid mixtures differing for the cation, aromatic, or aliphatic. We investigated the effect of several operational parameters such as temperature, catalyst loading, zeolite counterion, solvent mixture, and added chloride. In the optimal experimental conditions, we obtained good conversions to 5-HMF especially for fructose and sucrose, 73% and 62%, using the relatively low temperatures of 80 and 120 °C, respectively. Interestingly, in the used experimental conditions, the solvent–catalyst systems can be reused for at least 6 cycles without loss in performance. We also investigated the dehydration of fructose under sonochemical activation, obtaini.
DESIGN AND SYNTHESIS OF SOME NOVEL 1,2,4-TRIAZOLE-3-YL-MERCAPTO DERIVATIVES AS POTENTIAL ANTI-CANDIDA AGENTS

In the context of the alarming incidence of the multidrug-resistant Candida sp. based infections, a new series of 1,2,4triazole-3-yl-mercapto derivatives were synthesized and evaluated as potential antifungal agents. The affinity of the synthesized compounds towards the catalytic site of the lanosterol 14α-demethylase (CYP51) was evaluated in silico, by molecular docking studies. The antifungal activity of the titled compounds was evaluated in vitro against pathogenic strains of Candida sp. , by measuring the minimum inhibitory concentration (MIC) and the minimum fungicidal concentration (MFC). The data obtained from the docking simulation showed that the new synthesized compounds might act as noncovalent inhibitors of fungal CYP51. The results of the in vitro antifungal screening support their potential anti-Candida activity, compound 3b exhibiting a similar effect as fluconazole, used as antifungal reference drug.
Mapping environmental suitability for anthrax reemergence in the Arctic

Recent studies have raised concerns about the potential reemergence of infectious diseases in Arctic regions associated with warming temperatures. Among these, particular attention has been devoted to anthrax, as a consequence of the outbreak that occurred in the Russian Yamalo-Nenets peninsula in 2016. Understanding how environmental change might influence the diffusion of this pathogen could allow informed decisions to prevent further zoonotic or epidemic episodes. To that end, the present study aims to identify and investigate the driving variables that may favor anthrax transmission within the Arctic, in order to build environmental niche maps describing the future suitability of these regions for the pathogen. To do so, we use the MaxEnt statistical learning tool informed by Arctic-specific variables, such as reindeer herd distribution and active-layer variation. Because of the relative lack of reliable georeferenced information in these regions, the resulting potential distribution maps are to be considered preliminary, but they can already provide a first assessment tool for local communities living in potential risk areas. They also indicate areas in which additional investigation is needed to improve the reliability of environmental niche modeling, hence the accuracy of risk mapping and the usefulness to Arctic communities.
17-4 PH SS Manufactured via Selective Laser Melting: High Cycle Fatigue Properties

In the recent years, Additive Manufacturing (AM) is becoming an emerging technology and more and more material powders are available on the market. The knowledge of their specific mechanical behaviour is a fundamental aspect for their large-scale adoption, also considering the lack of reliable data and dedicated standards.In this work the High Cycle Fatigue characterization of a 17-4 PH Stainless Steel (SS) is presented. The cylindrical samples used were manufactured via Selective Laser Melting (SLM) technology using an EOS M280 machine. Two separate series of samples differing in terms of surface finishing were tested. The first series of samples was used in the as-build condition while the second series was machined in order to obtain a better surface finishing.The effect of the surface finishing on the fatigue behaviour of AM materials is fundamental considering that in most of the applications the parts – reticular or lattice structures with complex geometries – are set into operation in the as-build condition because a surface finishing is not feasible. The comparison of the results obtained for the two different series of specimens allows the quantification of the reduction of the mechanical performances due to the actual limits of the SLM technology. The fatigue limit was obtained with the short stair-case approach according to the Dixon statistical method. The maximum number of cycles (run-out) was set equal to 5000000. The left part of the Wöhler diagram was also studied by means of additional tests at higher stress levels.Additional quasi-static tests were performed in order to characterise the static behaviour.
Modelling quasiparticles and inhomogeneous pseudogap emergence in cuprates in presence of charge ordering potential

We are modelling the ground normal state of cuprate high-temperature superconductors, taking into account that they have strongly polarizable ionic lattice, with the aim to study the pseudogap (PG) nature. At strong Fröhlich electron-phonon interaction autolocalized carriers form charge ordering and coexist with delocalized ones. We consider quasiparticles (QPs) that emerge in cuprates in presence of additional charge ordering potential. We show that this potential transforms Bloch QPs into distributed wave packets with different momentums in areas with different potential. Modelling dispersion of the hole-doped cuprates and constructing the momentum space trajectories of the new QPs we found that topology of hole-like dispersion forbids QPs with average momentums near antinodes. Considering photoemission of carriers from permitted QP states, we recently have demonstrated that calculated antinodal spectrum of angle-resolved photoemission spectroscopy (ARPES) has all the features characteristic of the PG behaviour in cuprates. Using the approach defined above, here we calculate influence of fluctuations in dopant ion density on the PG width. As a result, we demonstrate that the suggested model of the PG emergence in cuprates reproduces all the details of the PG display not only in ARPES but also in scanning tunneling microscopy experiments, where the prominent feature is inhomogeneity of the PG width over the crystal.
Bioactive principle loaded gold nanoparticles as potent anti-melanoma agent: green synthesis, characterization, and in vitro bioefficacy

The present communication warrants the presence of significant anti-melanoma bioefficacy in the native bark ethanolic extract (65.15%) of the plant Madhuca longifolia. A family of seven flavonoids has been ascertained in the bark ethanolic extract of the target plant using HPLC-ESI-QTOF-MS analysis as bioactive constituents. Statistically, significant (p<0.05)enhancement in the anti-melanoma bioefficacy (85.15%) has been successfully attempted, reaching near to the level of reference (Cyclophosphamide drug) using bioactive principle (flavonoid) loaded gold nanoparticles (F@AuNp). In vitro anti-melanoma bioefficacy has been measured against two melanoma cell lines (B16F10 and A375) using MTT and SRB bioassays. Noticeably, the native bark extract and F@AuNp did not show any toxicity towards normal lymphocyte cells, highlighting their safe and non-toxic nature. The pathway of observed anti-melanoma efficacy of (F@AuNp) has been discussed based on our experimental findings on percent inhibition in mice and human melanoma cell lines, production of intracellular reactive oxygen species, the release of nitric oxide, and increase caspase-3 activities. The native bark extract of the plant M. longifolia and its bioactive principle loaded gold nanoparticles possess bright prospects for the development of complimentary herbal nanomedicine for scaling-up the anti-melanoma bioefficacy.
Effects of age, sex, serostatus, and underlying comorbidities on humoral response post-SARS-CoV-2 Pfizer-BioNTech mRNA vaccination: a systematic review

Abstract With the advent of the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) pandemic, several vaccines have been developed to mitigate its spread and prevent adverse consequences of the Coronavirus Disease 2019 (COVID-19). The mRNA technology is an unprecedented vaccine, usually given in two doses to prevent SARS-CoV-2 infections. Despite effectiveness and safety, inter-individual immune response heterogeneity has been observed in recipients of mRNA-based vaccines. As a novel disease, the specific immune response mechanism responsible for warding off COVID-19 remains unclear at this point. However, significant evidence suggests that humoral response plays a crucial role in affording immunoprotection and preventing debilitating sequelae from COVID-19. As such, this paper focused on the possible effects of age, sex, serostatus, and comorbidities on humoral response (i.e. total antibodies, IgG, and/or IgA) of different populations post-mRNA-based Pfizer-BioNTech vaccination. A systematic search of literature was performed through PubMed, Cochrane CENTRAL, Google Scholar, Science Direct, medRxiv, and Research Square. Studies were included if they reported humoral response to COVID-19 mRNA vaccines. A total of 32 studies were identified and reviewed, and the percent differences of means of reported antibody levels were calculated for comparison. Findings revealed that older individuals, male sex, seronegativity, and those with more comorbidities mounted less humoral immune response. Given these findings, several recommendations were proposed regarding the current vaccination practices. These include giving additional doses of vaccination for immunocompromised and elderly populations. Another recommendation is conducting clinical trials in giving a combined scheme of mRNA vaccines, protein vaccines, and vector-based vaccines.
Light-sucrose interaction stimulates nitrate uptake by wheat roots

Abstract To improve nitrate uptake efficiency and minimize fertilizer waster, nitrate uptake control was investigated. In the previous work, we found that illuminating shoots can stimulate nitrate uptake by wheat (Triticum aestivum cv. “EM18”) roots, which is thought to be via a signal carried through phloem, maybe a sugar. We also found that sucrose could show features of a specific signal of nitrate uptake. A noninvasive technique method with a high-time resolution (minutes) has enabled us to make the comparison between illumination and sucrose supply. Interestingly, the results showed when plants were in the light, the stimulation by external sucrose was less than that in the dark, indicating light affected nitrate uptake co-operatively with externally supplied sucrose. The interaction between light and externally supplied sucrose showed that the mechanism of light effect on nitrate uptake involved sucrose. This work was useful for further investigating its molecular mechanism and ultimately improving nitrogen use efficiency.
Exploration of Multi-Scale Reconstruction Framework in Dam Deformation Prediction

Affected by various complex factors, dam deformation monitoring data usually reflect volatility and non-linear characteristics, and traditional prediction models are difficult to accurately capture the complex laws of dam deformation. A multi-scale deformation prediction model based on Variational Modal Decomposition (VMD) signal decomposition technology is proposed in this study. The method first decomposes the original deformation sequence into a series of sub-sequences with different frequencies, then the decomposed sub-sequences are modeled and predicted by Long Short-Term Memory neural network (LSTM) and Random Forest (RF) according to different frequencies. Finally, the prediction results of all sub-sequences are reconstructed to obtain the final deformation prediction results. In this process, it is proposed to use the instantaneous frequency mean method to determine the decomposition modulus of VMD. The innovation of this paper is to decompose the monitoring data with high volatility, and use LSTM and RF prediction, respectively, according to the frequency of the monitoring data, so as to realize the more accurate capture of volatility data during the prediction process. The case analysis results show that the proposed model can effectively solve the negative impact of the original data volatility on the prediction results, and is superior to the traditional prediction models in terms of stability and generalization ability, which has an important reference value for accurately predicting dam deformation and has far-reaching engineering significance.
Crisis and the Trajectory of Science: Evidence from the 2014 Ebola Outbreak

Abstract When crises such as disease outbreaks occur in low-income countries, the global response can influence the output of researchers in the most affected locations. This paper investigates the impact of the 2014 West African Ebola epidemic on publication outcomes of endemic country scientists. Driven by collaborations with high-income country scientists in Ebola publications, endemic country scientists with relevant experience increase their publication output. However, the productivity of scientists without relevant experience falls, driving a reduction in non-Ebola publications. Any benefits arising from increased visibility during the epidemic does not appear to spill over to non-Ebola or Africa-led research in the long run.
Changes in antioxidant and probiotic properties of a freeze-dried apple snack during storage

This research developed an apple snack with potential probiotic effect (> 107 CFU/g) by combining vacuum impregnation with Lactobacillus salivarius spp. salivarius (CECT 4063) and freeze-drying. Throughout storage (30 days), both the lactobacillus viability and the total flavonoids content decreased. Trehalose adition (10% by weight) to the impregnation liquid and/or its homogenization at 100 MPa accelerated the loss of cell viability but delayed flavonoids degradation and promoted an increase in the amount of phenols and total antioxidants. Keywords: L. salivarius spp. salivarius; homogenization; trehalose; freeze-drying; antioxidants.
Cover Crops and Manure Combined with Commercial Fertilizers Differently Affect Yield and Quality of Processing Tomato (Solanum lycopersicum L.) Organically Grown in Puglia

Nitrogen is crucial for the productivity of agricultural systems, although there is a growing demand for alternative cultural practices that reduce the off-farm inputs of this fertilizer. Cover crops provide a suite of services; among these, they can affect soil nitrogen content. In addition, the use of manure can contribute to a decrease in nitrogen loads from external inputs. The aim of this study was to evaluate, in processing tomato grown under an organic system, the combined use of cover crops (i.e., Vicia faba var. minor, Triticum aestivum, and Raphanus sativus) or cattle manure, with reduced rates of commercial nitrogen fertilizers. The yield and some important qualitative characteristics of the tomato fruits were considered. V. faba was able to enhance the effects of the external input of nitrogen with respect to the yield. External inputs increased tocopherol content with respect to the control but only when it was integrated with manure. The content of carotenoids was not affected by commercial fertilizer alone; however, when it was supplied in addition to cattle manure or incorporation of R. sativus, a decrease in β-carotene was observed. Moreover, lycopene also decreased when T. aestivum or R. sativus were used as cover crops. We conclude that the sowing of nitrogen-fixing cover crops or the use of manure are good strategies for combining internal and external inputs for the sustainable production of processing tomato.