bluuebunny/crossref_metadata_2025 huggingface dataset:
Geochemical and Geochronological Constraints on the Genesis of Ion-Adsorption-Type REE Mineralization in the Lincang Pluton, SW China
Authors: Lu Lei , Liu Yan , Liu Huichuan , Zhao Zhi , Wang Chenghui , Xu Xiaochun
Published: December 2020

Granites are assumed to be the main source of heavy rare-earth elements (HREEs), which have important applications in modern society. However, the geochemical and petrographic characteristics of such granites need to be further constrained, especially as most granitic HREE deposits have undergone heavy weathering. The LC batholith comprises both fresh granite and ion-adsorption-type HREE deposits, and contains four main iRee (ion-adsorption-type REE) deposits: the Quannei (QN), Shangyun (SY), Mengwang (MW), and Menghai (MH) deposits, which provide an opportunity to elucidate these characteristics The four deposits exhibit light REE (LREE) enrichment, and the QN deposit is also enriched in HREEs. The QN and MH deposits were chosen for study of their petrology, mineralogy, geochemistry, and geochronology to improve our understanding of the formation of iRee deposits. The host rock of the QN and MH deposits is granite that includes REE accessory minerals, with monazite, xenotime, and allanite occurring as euhedral inclusions in feldspar and biotite, and thorite, fluorite(–Y), and REE fluorcarbonate occurring as anhedral filling in cavities in quartz and feldspar. Zircon U–Pb dating analysis of the QN (217.8 ± 1.7 Ma, MSWD = 1.06; and 220.3 ± 1.2 Ma, MSWD = 0.71) and MH (232.2 ± 1.7 Ma, MSWD = 0.58) granites indicates they formed in Late Triassic, with this being the upper limit of the REE-mineral formation age. The host rock of the QN and MH iRee deposits is similar to most LC granites, with high A/CNK ratios (>1.1) and strongly peraluminous characteristics similar to S-type granites. The LC granites (including the QN and MH granites) have strongly fractionated REE patterns (LREE/HREE = 1.89–11.97), negative Eu anomalies (Eu/Eu* = 0.06–0.25), and are depleted in Nb, Zr, Hf, P, Ba, and Sr. They have high 87Sr/86Sr ratios (0.710194–0.751763) and low 143Nd/144Nd ratios (0.511709–0.511975), with initial Sr and Nd isotopic compositions of (87Sr/86Sr)i = 0.72057–0.72129 and εNd(220 Ma) = −9.57 to −9.75. Their initial Pb isotopic ratios are: 206Pb/204Pb = 18.988–19.711; 208Pb/204Pb = 39.713–40.216; and 207Pb/204Pb = 15.799–15.863. The Sr–Nd–Pb isotopic data and TDM2 ages suggest that the LC granitic magma had a predominantly crustal source. The REE minerals are important features of these deposits, with feldspars and micas altering to clay minerals containing Ree3+ (exchangeable REE), whose concentration is influenced by the intensity of weathering; the stronger the chemical weathering, the more REE minerals are dissolved. Secondary mineralization is also a decisive factor for Ree3+ enrichment. Stable geology within a narrow altitudinal range of 300–600 m enhances Ree3+ retention.
CoMnO2-Decorated Polyimide-Based Carbon Fiber Electrodes for Wire-Type Asymmetric Supercapacitor Applications
Authors: Cho Young-Hun , Seong Jae-Gyoung , Noh Jae-Hyun , Kim Da-Young , Chung Yong-Sik , Ko Tae Hoon , Kim Byoung-Suhk
Published: December 2020

In this work, we report the carbon fiber-based wire-type asymmetric supercapacitors (ASCs). The highly conductive carbon fibers were prepared by the carbonized and graphitized process using the polyimide (PI) as a carbon fiber precursor. To assemble the ASC device, the CoMnO2-coated and Fe2O3-coated carbon fibers were used as the cathode and the anode materials, respectively. Herein, the nanostructured CoMnO2 were directly deposited onto carbon fibers by a chemical oxidation route without high temperature treatment in presence of ammonium persulfate (APS) as an oxidizing agent. FE-SEM analysis confirmed that the CoMnO2-coated carbon fiber electrode exhibited the porous hierarchical interconnected nanosheet structures, depending on the added amount of APS, and Fe2O3-coated carbon fiber electrode showed a uniform distribution of porous Fe2O3 nanorods over the surface of carbon fibers. The electrochemical properties of the CoMnO2-coated carbon fiber with the concentration of 6 mmol APS presented the enhanced electrochemical activity, probably due to its porous morphologies and good conductivity. Further, to reduce the interfacial contact resistance as well as improve the adhesion between transition metal nanostructures and carbon fibers, the carbon fibers were pre-coated with the Ni layer as a seed layer using an electrochemical deposition method. The fabricated ASC device delivered a specific capacitance of 221 F g−1 at 0.7 A g−1 and good rate capability of 34.8% at 4.9 A g−1. Moreover, the wire-type device displayed the superior energy density of 60.2 Wh kg−1 at a power density of 490 W kg−1 and excellent capacitance retention of 95% up to 3000 charge/discharge cycles.
A Promising Electrochemical Platform for Dopamine and Uric Acid Detection Based on a Polyaniline/Iron Oxide-Tin Oxide/Reduced Graphene Oxide Ternary Composite
Authors: Minta Daria , Moyseowicz Adam , Gryglewicz Stanisław , Gryglewicz Grażyna
Published: December 2020

A ternary polyaniline/Fe2O3-SnO2/reduced graphene oxide (PFSG) nanocomposite was prepared using a simple two-step hydrothermal treatment. The composite was applied as a glassy carbon electrode modifier (GCE) to enhance dopamine (DA) and uric acid (UA) detection. The ternary PFSG composite was compared with its binary precursor Fe2O3-SnO2/reduced graphene oxide (FSG). The influence of the modified GCE electrodes on their performance as a sensing platform was determined. GCE/PFSG showed better sensing parameters than GCE/FSG due to the introduction of polyaniline (PANI), increasing the electrocatalytic properties of the electrode towards the detected analytes. GCE/PFSG enabled the detection of low concentrations of DA (0.076 µM) and UA (1.6 µM). The peak potential separation between DA and UA was very good (180 mV). Moreover, the DA oxidation peak was unaffected even if the concentration of UA was ten times higher. The fabricated sensor showed excellent performance in the simultaneous detection with DA and UA limits of detection: LODDA = 0.15 µM and LODUA = 6.4 µM, and outstanding long-term stability towards DA and UA, holding 100% and 90% of their initial signals respectively, after one month of use.
Protective Effects of a Strawberry Ellagitannin-Rich Extract against Pro-Oxidative and Pro-Inflammatory Dysfunctions Induced by a High-Fat Diet in a Rat Model
Authors: Żary-Sikorska Ewa , Fotschki Bartosz , Jurgoński Adam , Kosmala Monika , Milala Joanna , Kołodziejczyk Krzysztof , Majewski Michał , Ognik Katarzyna , Juśkiewicz Jerzy
Published: December 2020

Due to the demonstrated intestinal microbial transformation of strawberry ellagitannins (ET) into bioactive metabolites, in the current study on rats, we hypothesised that the dietary addition of a strawberry ET-rich extract (S-ET) to a high-fat diet (HFD) would attenuate disturbances in the redox and lipid status as well as in the inflammatory response. We randomly distributed 48 Wistar rats into six groups and used two-way analysis of variance (ANOVA) to assess the effects of two main factors—diet type (standard and high-fat) and ET dosage (without, low, and 3× higher)—applied to rats for 4 weeks. In relation to the hypothesis, irrespective of the dosage, the dietary application of ET resulted in the desired attenuating effects in rats fed a HFD as manifested by decreased body weight gain, relative mass of the epididymal pad, hepatic fat, oxidized glutathione (GSSG), triglycerides (TG), total cholesterol (TC), and thiobarbituric acid-reactive substances (TBARS) concentrations as well as desired modifications in the blood plasma parameters. These beneficial changes were enhanced by the high dietary addition of ET, which was associated with considerably higher concentrations of ET metabolites in the urine and plasma of rats. The results indicated that S-ET could be effectively used for the prevention and treatment of metabolic disturbances associated with obesity, dyslipidaemia, redox status imbalance, and inflammation.
The Intestinal Efflux Transporter Inhibition Activity of Xanthones from Mangosteen Pericarp: An In Silico, In Vitro and Ex Vivo Approach
Authors: Dechwongya Panudda , Limpisood Songpol , Boonnak Nawong , Mangmool Supachoke , Takeda-Morishita Mariko , Kulsirirat Thitianan , Rukthong Pattarawit , Sathirakul Korbtham
Published: December 2020

The capacity of α-mangostin (α-MG) and β-mangostin (β-MG) from mangosteen pericarp on P-glycoprotein (Pgp) in silico, in vitro, and ex vivo was investigated in this study. Screening with the ADMET Predictor™ program predicted the two compounds to be both a Pgp inhibitor and Pgp substrate. The compounds tended to interact with Pgp and inhibit Pgp ATPase activity. Additionally, bidirectional transport on Caco-2 cell monolayers demonstrated a significantly lower efflux ratio than that of the control (α-(44.68) and β-(46.08) MG versus the control (66.26); p < 0.05) indicating an inhibitory effect on Pgp activity. Test compounds additionally revealed a downregulation of MDR1 mRNA expression. Moreover, an ex vivo absorptive transport in everted mouse ileum confirmed the previous results that α-MG had a Pgp affinity inhibitor, leading to an increase in absorption of the Pgp substrate in the serosal side. In conclusion, α- and β-MG have the capability to inhibit Pgp and they also alter Pgp expression, which makes them possible candidates for reducing multidrug resistance. Additionally, they influence the bioavailability and transport of Pgp substrate drugs.
Can Natural Polyphenols Help in Reducing Cytokine Storm in COVID-19 Patients?
Authors: Giovinazzo Giovanna , Gerardi Carmela , Uberti-Foppa Caterina , Lopalco Lucia
Published: December 2020

SARS-CoV-2 first emerged in China during late 2019 and rapidly spread all over the world. Alterations in the inflammatory cytokines pathway represent a strong signature during SARS-COV-2 infection and correlate with poor prognosis and severity of the illness. The hyper-activation of the immune system results in an acute severe systemic inflammatory response named cytokine release syndrome (CRS). No effective prophylactic or post-exposure treatments are available, although some anti-inflammatory compounds are currently in clinical trials. Studies of plant extracts and natural compounds show that polyphenols can play a beneficial role in the prevention and the progress of chronic diseases related to inflammation. The aim of this manuscript is to review the published background on the possible effectiveness of polyphenols to fight SARS-COV-2 infection, contributing to the reduction of inflammation. Here, some of the anti-inflammatory therapies are discussed and although great progress has been made though this year, there is no proven cytokine blocking agents for COVID currently used in clinical practice. In this regard, bioactive phytochemicals such as polyphenols may become promising tools to be used as adjuvants in the treatment of SARS-CoV-2 infection. Such nutrients, with anti-inflammatory and antioxidant properties, associated to classical anti-inflammatory drugs, could help in reducing the inflammation in patients with COVID-19.
Towards Deep Neural Network Models for the Prediction of the Blood–Brain Barrier Permeability for Diverse Organic Compounds
Authors: Radchenko Eugene V. , Dyabina Alina S. , Palyulin Vladimir A.
Published: December 2020

Permeation through the blood–brain barrier (BBB) is among the most important processes controlling the pharmacokinetic properties of drugs and other bioactive compounds. Using the fragmental (substructural) descriptors representing the occurrence number of various substructures, as well as the artificial neural network approach and the double cross-validation procedure, we have developed a predictive in silico LogBB model based on an extensive and verified dataset (529 compounds), which is applicable to diverse drugs and drug-like compounds. The model has good predictivity parameters (Q2=0.815, RMSEcv=0.318) that are similar to or better than those of the most reliable models available in the literature. Larger datasets, and perhaps more sophisticated network architectures, are required to realize the full potential of deep neural networks. The analysis of fragment contributions reveals patterns of influence consistent with the known concepts of structural characteristics that affect the BBB permeability of organic compounds. The external validation of the model confirms good agreement between the predicted and experimental LogBB values for most of the compounds. The model enables the evaluation and optimization of the BBB permeability of potential neuroactive agents and other drug compounds.
An Alternative HIV-1 Non-Nucleoside Reverse Transcriptase Inhibition Mechanism: Targeting the p51 Subunit
Authors: Chan Kwok-Fong , Su Chinh Tran-To , Krah Alexander , Phua Ser-Xian , Yeo Joshua Yi , Ling Wei-Li , Bond Peter J. , Gan Samuel Ken-En
Published: December 2020

The ongoing development of drug resistance in HIV continues to push for the need of alternative drug targets in inhibiting HIV. One such target is the Reverse transcriptase (RT) enzyme which is unique and critical in the viral life cycle—a rational target that is likely to have less off-target effects in humans. Serendipitously, we found two chemical scaffolds from the National Cancer Institute (NCI) Diversity Set V that inhibited HIV-1 RT catalytic activity. Computational structural analyses and subsequent experimental testing demonstrated that one of the two chemical scaffolds binds to a novel location in the HIV-1 RT p51 subunit, interacting with residue Y183, which has no known association with previously reported drug resistance. This finding supports the possibility of a novel druggable site on p51 for a new class of non-nucleoside RT inhibitors that may inhibit HIV-1 RT allosterically. Although inhibitory activity was shown experimentally to only be in the micromolar range, the scaffolds serve as a proof-of-concept of targeting the HIV RT p51 subunit, with the possibility of medical chemistry methods being applied to improve inhibitory activity towards more effective drugs.
Recent Advances in the Synthesis of Selenophenes and Their Derivatives
Authors: Hellwig Paola S. , Peglow Thiago J. , Penteado Filipe , Bagnoli Luana , Perin Gelson , Lenardão Eder J.
Published: December 2020

The selenophene derivatives are an important class of selenium-based heterocyclics. These compounds play an important role in prospecting new drugs, as well as in the development of new light-emitting materials. During the last years, several methods have been emerging to access the selenophene scaffold, employing a diversity of cyclization-based synthetic strategies, involving specific reaction partners and particularities. This review presents a comprehensive discussion on the recent advances in the synthesis of selenophene-based compounds, starting from different precursors, highlighting the main differences, the advantages, and limitations among them.
Secoiridoid Glucosides and Anti-Inflammatory Constituents from the Stem Bark of Fraxinus chinensis
Authors: Chang Hao-Chiun , Wang Shih-Wei , Chen Chin-Yen , Hwang Tsong-Long , Cheng Ming-Jen , Sung Ping-Jyun , Liao Kuang-Wen , Chen Jih-Jung
Published: December 2020

Qin Pi (Fraxinus chinensis Roxb.) is commercially used in healthcare products for the improvement of intestinal function and gouty arthritis in many countries. Three new secoiridoid glucosides, (8E)-4′′-O-methylligstroside (1), (8E)-4′′-O-methyldemethylligstroside (2), and 3′′,4′′-di-O-methyl-demethyloleuropein (3), have been isolated from the stem bark of Fraxinus chinensis, together with 23 known compounds (4–26). The structures of the new compounds were established by spectroscopic analyses (1D, 2D NMR, IR, UV, and HRESIMS). Among the isolated compounds, (8E)-4′′-O-methylligstroside (1), (8E)-4′′-O-methyldemethylligstroside (2), 3′′,4′′-di-O-methyldemethyloleuropein (3), oleuropein (6), aesculetin (9), isoscopoletin (11), aesculetin dimethyl ester (12), fraxetin (14), tyrosol (21), 4-hydroxyphenethyl acetate (22), and (+)-pinoresinol (24) exhibited inhibition (IC50 ≤ 7.65 μg/mL) of superoxide anion generation by human neutrophils in response to formyl-L-methionyl-L-leuckyl-L-phenylalanine/cytochalasin B (fMLP/CB). Compounds 1, 9, 11, 14, 21, and 22 inhibited fMLP/CB-induced elastase release with IC50 ≤ 3.23 μg/mL. In addition, compounds 2, 9, 11, 14, and 21 showed potent inhibition with IC50 values ≤ 27.11 μM, against lipopolysaccharide (LPS)-induced nitric oxide (NO) generation. The well-known proinflammatory cytokines, tumor necrosis factor-alpha (TNF-α) and interleukin 6 (IL-6), were also inhibited by compounds 1, 9, and 14. Compounds 1, 9, and 14 displayed an anti-inflammatory effect against NO, TNF-α, and IL-6 through the inhibition of activation of MAPKs and IκBα in LPS-activated macrophages. In addition, compounds 1, 9, and 14 stimulated anti-inflammatory M2 phenotype by elevating the expression of arginase 1 and Krüppel-like factor 4 (KLF4). The above results suggested that compounds 1, 9, and 14 could be considered as potential compounds for further development of NO production-targeted anti-inflammatory agents.
Carbohydrate and Glutamine Supplementation Attenuates the Increase in Rating of Perceived Exertion during Intense Exercise in Hypoxia Similar to 4200 m
Authors: Caris Aline V. , Thomatieli-Santos Ronaldo V.
Published: December 2020

The rating of perceived exertion (RPE) indicates the feeling of fatigue. However, hypoxia worsens the condition and can worsen RPE. We evaluated whether carbohydrate and glutamine supplementation alters RPE and physiological markers in running at 70% peak oxygen uptake until exhaustion in a simulated altitude of 4500 m. Nine volunteers underwent three running tests at 70% peak oxygen uptake until exhaustion: (1) hypoxia and placebo, (2) hypoxia and 8% maltodextrin, and (3) hypoxia after six days of glutamine supplementation (20 g/day) and 8% maltodextrin. The exercise and supplementation were randomized and double-blinded. Lactate, heart rate, haemoglobin O2 saturation (SpO2%), and RPE (6–20 scale) were analyzed at the 15th and 30th min. The level of significance was set at p ≤ 0.05. SpO2% decreased at the 15th and 30th minutes compared to resting in placebo, carbohydrate, and glutamine supplementation. RPE increased at the 30th minute compared to the 15th minute in placebo and carbohydrate supplementation; however, there was no difference in the glutamine supplementation condition. Heart rate and lactate increased after the 15th and 30th minutes compared to resting, similar to the three conditions studied. We conclude that previous supplementation with glutamine and carbohydrate during intense exercise in hypoxia similar to 4500 m can attenuate the increase in RPE by the increase in glycemia and can be a useful strategy for people who exercise in these conditions.
Low Serum 25-Hydroxyvitamin D Levels Are Related to Frailty and Sarcopenia in Patients with Chronic Liver Disease
Authors: Saeki Chisato , Kanai Tomoya , Nakano Masanori , Oikawa Tsunekazu , Torisu Yuichi , Saruta Masayuki , Tsubota Akihito
Published: December 2020

Low vitamin D status is related to frailty and/or sarcopenia in elderly individuals. However, these relationships are unclear in patients with chronic liver disease (CLD). This study aimed at exploring the relationship between serum 25-hydroxyvitamin D [25(OH)D] levels and frailty or sarcopenia in 231 patients with CLD. Frailty was determined based on five factors (weight loss, low physical activity, weakness, slowness, and exhaustion). Sarcopenia was diagnosed by applying the Japan Society of Hepatology criteria. The patients were classified into three groups according to baseline 25(OH)D levels: low (L), intermediate (I), and high (H) vitamin D (VD) groups. Of the 231 patients, 70 (30.3%) and 66 (28.6%) had frailty and sarcopenia, respectively. The prevalence rate of frailty and sarcopenia significantly increased stepwise with a decline in the vitamin D status. The L-VD group showed the highest prevalence rates of frailty and sarcopenia (49.1% (28/57), p < 0.001 for both), whereas the H-VD group showed the lowest prevalence rates of frailty (15.3% (9/59)) and sarcopenia (18.6% (11/59)) (p < 0.001 for both). Multivariate analysis identified serum 25(OH)D levels as a significant independent factor related to frailty and sarcopenia. Serum 25(OH)D levels significantly correlated with handgrip strength, skeletal muscle mass index, and gait speed. In conclusion, low serum vitamin D level, especially severe vitamin D deficient status, is closely related to frailty and sarcopenia in patients with CLD.
Selenium Nutritional Status of Rural Residents and Its Correlation with Dietary Intake Patterns in a Typical Low-Selenium Area in China
Authors: Wang Xiaoya , Li Hairong , Yang Linsheng , Kong Chang , Wang Jing , Li Yingchun
Published: December 2020

China is recognized as a selenium-deficient country, and nutritional selenium intake has always been a concern. To clarify the current inhabitants’ selenium nutrition status and the characteristics of dietary consumption in low-selenium areas, samples of human hair and grains were collected, and food frequency questionnaires were administered in Binxian County, Shaanxi Province, a typical low-selenium area in the Loess Plateau. The subject number of the study is 85, and the age range is from 11 to 81 years, with an average of 60. The results showed that the average hair selenium content of the residents was 231.7 μg/kg, and 62.4% of the participants had levels higher than the selenium deficiency threshold (200 μg/kg). There was a significant positive correlation between the hair selenium content and the food consumption score after adjusting for rice outsourcing. Three different dietary patterns were noted according to hierarchical cluster analysis. This study provides a tool for assessing the selenium nutrition of inhabitants in low-selenium areas and has considerable significance for improving the dietary pattern of residents.
Appraisal of a Simple and Effective RT-qPCR Assay for Evaluating the Reverse Transcriptase Activity in Blood Samples from HIV-1 Patients
Authors: Macchi Beatrice , Frezza Caterina , Marino-Merlo Francesca , Minutolo Antonella , Stefanizzi Valeria , Balestrieri Emanuela , Cerva Carlotta , Sarmati Loredana , Andreoni Massimo , Grelli Sandro , Mastino Antonio
Published: December 2020

Testing HIV-1 RNA in plasma by PCR is universally accepted as the ultimate standard to confirm diagnosis of HIV-1 infection and to monitor viral load in patients under treatment. However, in some cases, this assay could either underestimate or overestimate the replication capacity of a circulating or latent virus. In the present study, we performed the assessment of evaluating the HIV-1 reverse transcriptase (RT) activity by means of a new assay for the functional screening of the status of HIV-1 patients. To this purpose, we utilized, for the first time on blood samples, an adapted version of a real-time RT quantitative PCR assay, utilized to evaluate the HIV-1-RT inhibitory activity of compounds. The study analyzed blood samples from 28 HIV-1-infected patients, exhibiting a wide range of viremia and immunological values. Results demonstrated that plasma HIV-1 RT levels, expressed as cycle threshold values obtained with the assay under appraisal, were inversely and highly significantly correlated with the plasma HIV-1-RNA levels of the patients. Thus, an HIV-1 RT quantitative PCR assay was created which we describe in this study, and it may be considered as a promising basis for an additional tool capable of furnishing information on the functional virological status of HIV-1-infected patients.
Antioxidant Properties of Second-Generation Antipsychotics: Focus on Microglia
Authors: Caruso Giuseppe , Grasso Margherita , Fidilio Annamaria , Tascedda Fabio , Drago Filippo , Caraci Filippo
Published: December 2020

Recent studies suggest a primary role of oxidative stress in an early phase of the pathogenesis of schizophrenia and a strong neurobiological link has been found between dopaminergic system dysfunction, microglia overactivation, and oxidative stress. Different risk factors for schizophrenia increase oxidative stress phenomena raising the risk of developing psychosis. Oxidative stress induced by first-generation antipsychotics such as haloperidol significantly contributes to the development of extrapyramidal side effects. Haloperidol also exerts neurotoxic effects by decreasing antioxidant enzyme levels then worsening pro-oxidant events. Opposite to haloperidol, second-generation antipsychotics (or atypical antipsychotics) such as risperidone, clozapine, and olanzapine exert a strong antioxidant activity in experimental models of schizophrenia by rescuing the antioxidant system, with an increase in superoxide dismutase and glutathione (GSH) serum levels. Second-generation antipsychotics also improve the antioxidant status and reduce lipid peroxidation in schizophrenic patients. Interestingly, second-generation antipsychotics, such as risperidone, paliperidone, and in particular clozapine, reduce oxidative stress induced by microglia overactivation, decreasing the production of microglia-derived free radicals, finally protecting neurons against microglia-induced oxidative stress. Further, long-term clinical studies are needed to better understand the link between oxidative stress and the clinical response to antipsychotic drugs and the therapeutic potential of antioxidants to increase the response to antipsychotics.
Drug–Drug Interactions Involving Intestinal and Hepatic CYP1A Enzymes
Authors: Klomp Florian , Wenzel Christoph , Drozdzik Marek , Oswald Stefan
Published: December 2020

Cytochrome P450 (CYP) 1A enzymes are considerably expressed in the human intestine and liver and involved in the biotransformation of about 10% of marketed drugs. Despite this doubtless clinical relevance, CYP1A1 and CYP1A2 are still somewhat underestimated in terms of unwanted side effects and drug–drug interactions of their respective substrates. In contrast to this, many frequently prescribed drugs that are subjected to extensive CYP1A-mediated metabolism show a narrow therapeutic index and serious adverse drug reactions. Consequently, those drugs are vulnerable to any kind of inhibition or induction in the expression and function of CYP1A. However, available in vitro data are not necessarily predictive for the occurrence of clinically relevant drug–drug interactions. Thus, this review aims to provide an up-to-date summary on the expression, regulation, function, and drug–drug interactions of CYP1A enzymes in humans.
Non-Invasive Delivery of Nano-Emulsified Sesame Oil-Extract of Turmeric Attenuates Lung Inflammation
Authors: Rasool Sahibzada Tasleem , Alavala Rajasekhar Reddy , Kulandaivelu Umasankar , Sreeharsha Nagaraja
Published: December 2020

Turmeric, the golden Indian spice, and the edible oil of sesame seeds are the essential ingredients of Indian food created by ancestors and established the belief of the curative effect of food for many generations. Considering the anti-inflammatory effects of turmeric, we formulated a nano-emulsion of turmeric infused in edible sesame oil, with a globule size of 200–250 nm using high-energy microfluidization. The product with a zeta potential of −11.5 mV showed spherical globules when imaged for scanning and transmission electron microscopy. We explored the anti-inflammatory potential of this edible nano-emulsion in lung inflammation. The lungs are the internal organ most vulnerable to infection, injury, and rapid inflammation from the external environment because of their constant exposure to pollutants, pathogenic microorganisms, and viruses. We evaluated the nano-emulsion for efficacy in ovalbumin-induced lung injury in mice with an oral treatment for two weeks. The therapeutic effect of nano-emulsion of the sesame oil-extract of turmeric was evident from biochemical analysis of bronchoalveolar lavage fluid, lung histopathology, and flow cytometric analysis. The developed nano-emulsion significantly reduced the inflammation and damage to the alveolar network in ovalbumin-injured mice. Significant reduction in the levels of neutrophils and inflammatory cytokines like IL-4, IL-6, and IL-13 in bronchoalveolar lavage fluid was observed in the nano-emulsion-treated group. Leukotriene B4 and IgE were also significantly altered in the treated group, thus suggesting the suitability of the formulation for the treatment of allergy and other inflammatory conditions. The nano-emulsification process potentiated the immunoregulatory effect of turmeric, as observed from the elevated levels of the natural anti-inflammatory cytokine, IL-10. The dietary constituents-based nano-emulsion of spice turmeric helped in scavenging the free radicals in the injured lungs, thus modulating the inflammation pathway. This easily scalable formulation technology approach can therefore serve as a potential noninvasive and safe treatment modality for reducing lung inflammation in lung injury cases.
Thrombus Imaging Using 3D Printed Middle Cerebral Artery Model and Preclinical Imaging Techniques: Application to Thrombus Targeting and Thrombolytic Studies
Authors: Vítečková Wünschová Andrea , Novobilský Adam , Hložková Jana , Scheer Peter , Petroková Hana , Jiřík Radovan , Kulich Pavel , Bartheldyová Eliška , Hubatka František , Jonas Vladimír , Mikulík Robert , Malý Petr , Turánek Jaroslav , Mašek Josef
Published: December 2020

Diseases with the highest burden for society such as stroke, myocardial infarction, pulmonary embolism, and others are due to blood clots. Preclinical and clinical techniques to study blood clots are important tools for translational research of new diagnostic and therapeutic modalities that target blood clots. In this study, we employed a three-dimensional (3D) printed middle cerebral artery model to image clots under flow conditions using preclinical imaging techniques including fluorescent whole-body imaging, magnetic resonance imaging (MRI), and computed X-ray microtomography (microCT). Both liposome-based, fibrin-targeted, and non-targeted contrast agents were proven to provide a sufficient signal for clot imaging within the model under flow conditions. The application of the model for clot targeting studies and thrombolytic studies using preclinical imaging techniques is shown here. For the first time, a novel method of thrombus labeling utilizing barium sulphate (Micropaque®) is presented here as an example of successfully employed contrast agents for in vitro experiments evaluating the time-course of thrombolysis and thus the efficacy of a thrombolytic drug, recombinant tissue plasminogen activator (rtPA). Finally, the proof-of-concept of in vivo clot imaging in a middle cerebral artery occlusion (MCAO) rat model using barium sulphate-labelled clots is presented, confirming the great potential of such an approach to make experiments comparable between in vitro and in vivo models, finally leading to a reduction in animals needed.
Major and Trace Element Content of Tribulus terrestris L. Wildlife Plants
Authors: Tkachenko Kirill , Frontasyeva Marina , Vasilev Atanas , Avramov Latchezar , Shi Lei
Published: December 2020

The genus Tribulus L. (Zygophyllaceae) includes 12 species, the most important of which is Tribulus terrestris L. This annual herb grows in temperate and tropical climates, and has a rich chemical composition of biologically active substances and chemical elements. Medicinal plants, and the phytopreparations obtained from them, are becoming more and more popular in world practice as they are used to successfully treat human diseases. Their therapeutic effect is due to the presence in them, of a variety of natural compounds and biologically important trace elements, especially in higher concentrations present in higher doses. T. terrestris is becoming more and more popular for the treatment of diseases of the human genital area and sexual dysfunctions. The elemental content in the tissues of leaf, flower, and fruit of T. terrestris was determined by using multi-element instrumental epithermal neutron activation analysis. For the first time, 26 essential and trace elements were observed in the plant species collected in Russia (from cultivated) and China (wild growing). It was confirmed that the elemental composition of T. terrestris grass varies depending on the habitat (geographic zones). The place of growth affects the accumulation of elements by the plant.
Significant Accumulation of Iodine and Selenium in Chicory (Cichorium intybus L. var. foliosum Hegi) Leaves after Foliar Spraying
Authors: Germ Mateja , Kacjan-Maršić Nina , Kroflič Ana , Jerše Ana , Stibilj Vekoslava , Golob Aleksandra
Published: December 2020

The interactions between the uptake of selenium (as selenite and selenate) and iodine (as iodate and iodide) by red chicory (Cichorium intybus L. var. foliosum Hegi) and their effects on selected morphological and physiological characteristics were investigated. Seedlings were transplanted to the field, and at the onset of head formation, the plants were foliar-sprayed with the following solutions: Milli-Q water (control), Se (IV), Se (VI), I (−I), I (V), Se (IV) + I (−I), Se (IV) + I (V), Se (VI) + I (−I) and Se (VI) + I (V). The different treatments had no significant effects on the yield (39.8–51.5 t ha−1) and mass (970–1200 g) of the chicory heads. The selenium content in Se-treated plants was up to 5.5-times greater than the control plants. The iodine content in the chicory leaves enriched with I was 3.5-times greater than the control plants. Iodide or iodate, applied together with selenite in the spray solution, increased the uptake of Se by chicory plants, while both forms of iodine, applied together with selenate, reduced the uptake of Se. Plants treated with I (V) had lower amounts of chlorophyll a and carotenoids than the control, while respiratory potential was higher than the control, which indicated the possible presence of stress in I (V)-treated plants. However, the potential photochemical efficiency of photosystem II was similar and close to the theoretical maximum (0.83) in the control and treated groups, which indicated that all of the plants were in good condition. Furthermore, the plant mass and yield were comparable in the control and treated groups. Molecular studies, like gene expression analysis, would represent a major upgrade of the present study by defining the mechanisms of Se and I uptake and their interactions and by enhancing the knowledge of the Se and I transporters.
Multi-Response Optimization of Tensile Creep Behavior of PLA 3D Printed Parts Using Categorical Response Surface Methodology
Authors: Waseem Muhammad , Salah Bashir , Habib Tufail , Saleem Waqas , Abas Muhammad , Khan Razaullah , Ghani Usman , Siddiqi Muftooh Ur Rehman
Published: December 2020

Three-dimensional printed plastic products developed through fused deposition modeling (FDM) endure long-term loading in most of the applications. The tensile creep behavior of such products is one of the imperative benchmarks to ensure dimensional stability under cyclic and dynamic loads. This research dealt with the optimization of the tensile creep behavior of 3D printed parts produced through fused deposition modeling (FDM) using polylactic acid (PLA) material. The geometry of creep test specimens follows the American Society for Testing and Materials (ASTM D2990) standards. Three-dimensional printing is performed on an open-source MakerBot desktop 3D printer. The Response Surface Methodology (RSM) is employed to predict the creep rate and rupture time by undertaking the layer height, infill percentage, and infill pattern type (linear, hexagonal, and diamond) as input process parameters. A total of 39 experimental runs were planned by means of a categorical central composite design. The analysis of variance (ANOVA) results revealed that the most influencing factors for creep rate were layer height, infill percentage, and infill patterns, whereas, for rupture time, infill pattern was found significant. The optimized levels obtained for both responses for hexagonal pattern were 0.1 mm layer height and 100% infill percentage. Some verification tests were performed to evaluate the effectiveness of the adopted RSM technique. The implemented research is believed to be a comprehensive guide for the additive manufacturing users to determine the optimum process parameters of FDM which influence the product creep rate and rupture time.
Effects on the Properties after Addition of Lithium Salt in Poly(ethylene oxide)/Poly(methyl acrylate) Blends
Authors: Abdul Halim Suhaila Idayu , Chan Chin Han , Kressler Jörg
Published: December 2020

The studies of phase behavior, dielectric relaxation, and other properties of poly(ethylene oxide) (PEO)/poly(methyl acrylate) (PMA) blends with the addition of lithium perchlorate (LiClO4) were done for different blend compositions. Samples were prepared by a solution casting technique. The binary PEO/PMA blends exhibit a single and compositional-dependent glass transition temperature (Tg), which is also true for ternary mixtures of PEO/PMA/LiClO4 when PEO was in excess with low content of salt. These may indicate miscibility of the constituents for the molten systems and amorphous domains of the systems at room temperature from the macroscopic point of view. Subsequently, the morphology of PEO/PMA blends with or without salt are correlated to the phase behavior of the systems. Phase morphology and molecular interaction of polymer chains by salt ions of the systems may rule the dielectric or electric relaxation at room temperature, which was estimated using electrochemical impedance spectroscopy (EIS). The frequency-dependent impedance spectra are of interest for the elucidation of polarization and relaxation of the charged entities for the systems. Relaxation can be noted only when a sufficient amount of salt is added into the systems.
In Vitro Degradation of Plasticized PLA Electrospun Fiber Mats: Morphological, Thermal and Crystalline Evolution
Authors: Leonés Adrián , Peponi Laura , Lieblich Marcela , Benavente Rosario , Fiori Stefano
Published: December 2020

In the present work, fiber mats of poly(lactic acid), PLA, plasticized by different amounts of oligomer lactic acid, OLA, were obtained by electrospinning in order to investigate their long term hydrolytic degradation. This was performed in a simulated body fluid for up to 352 days, until the complete degradation of the samples is reached. The evolution of the plasticized electrospun mats was followed in terms of morphological, thermal, chemical and crystalline changes. Mass variation and water uptake of PLA-based electrospun mats, together with pH stability of the immersion media, were also studied during the in vitro test. The results showed that the addition of OLA increases the hydrolytic degradation rate of PLA electrospun fiber mats. Moreover, by adding different amounts of OLA, the time of degradation of the electrospun fiber mats can be modulated over the course of a year. Effectively, by increasing the amount of OLA, the diameter of the electrospun fibers decreases more rapidly during degradation. On the other hand, the degree of crystallinity and the dimension of the α crystals of the electrospun fiber mats are highly affected not only by the presence but also by the amount of OLA during the whole process.
Hydrophobic and Anti-Icing Behavior of UV-Laser-Treated Polyester Resin-Based Gelcoats
Authors: Kozera Rafał , Przybyszewski Bartłomiej , Krawczyk Zuzanna D. , Boczkowska Anna , Sztorch Bogna , Przekop Robert E. , Barbucha Robert , Tański Mateusz , Garcia-Casas Xabier , Borras Ana
Published: December 2020

Ice accumulation on wind turbine blades due to the impact of supercooled water droplets can be reduced by the application of surfaces with anti-icing properties. Hydrophobic surfaces are considered as a promising solution because of their water repellent behavior. In recent years, short-pulsed laser technologies have been developed as an efficient technique to modify the surface properties of materials. However, the anti-icing properties of such surfaces have not yet been validated. In this work, a hybrid modification of polyester resin-based gelcoats was adopted. Laser patterning (LP) was used to produce periodic surface structures on modified unsaturated polyester resin (UPR) substrates. One of the innovations of this research is the utilization of novel purpose-made chemical modifiers for gelcoats. The implementation of linear polymethylhydrosiloxane (PMHS) as a building block is a key improvement in terms of durability and functionality of the coating, since there is an option of introducing not only groups bonding in the polyester into one molecule, but also groups that increase hydrophobicity. The other novelty is a successfully conducted experiment combining such chemical modification with laser texturization of the surface. The influence of the laser energy, pattern shape, and spatial periods on the topographical characteristics and hydrophobicity as well as the anti-icing properties of the produced surfaces were investigated. To characterize the surface topography of the produced structures, scanning electron microscopy (SEM) and profilometer were utilized. Measurements of the wettability parameters (static contact angle and contact angle hysteresis) on the treated surfaces allowed the identification of the influence of wetting behavior and laser parameters on the investigated materials. Anti-icing properties were characterized by ice adhesion (IA) and freezing delay time (FDT) tests. It was found that hybrid modification of unsaturated polyester resin by chemical modifiers and laser treatment increased the hydrophobic and anti-icing properties of polyester gelcoats.
Responsible Open Science: Moving towards an Ethics of Environmental Sustainability
Authors: Samuel Gabrielle , Lucivero Federica
Published: December 2020

The integration of open science as a key pillar of responsible research and innovation has led it to become a hallmark of responsible research. However, ethical, social and regulatory challenges still remain about the implementation of an internationally- and multi-sector-recognised open science framework. In this Commentary, we discuss one important specific challenge that has received little ethical and sociological attention in the open science literature: the environmental impact of the digital infrastructure that enables open science. We start from the premise that a move towards an environmentally sustainable open science is a shared and valuable goal, and discuss two challenges that we foresee with relation to this. The first relates to questions about how to define what environmentally sustainable open science means and how to change current practices accordingly. The second relates to the infrastructure needed to enact environmentally sustainable open science ethical and social responsibilities through the open science ethics ecosystem. We argue that there are various ethical obstacles regarding how to responsibly balance any environmental impacts against the social value of open science, and how much one should be prioritised over the other. We call for all actors of the open science ethics ecosystem to engage in discussions about how to move towards open data and science initiatives that take into account the environmental impact of data and digital infrastructures. Furthermore, we call for ethics governance frameworks or policy-inscribed standards of practice to assist with this decision-making.
Sentinel-1 Data for Underground Processes Recognition in Bucharest City, Romania
Authors: Radutu Alina , Venvik Guri , Ghibus Traian , Gogu Constantin Radu
Published: December 2020

Urban areas are strongly influenced by the different processes affecting the underground and implicitly the terrestrial surface. Land subsidence can be one of the effects of the urban processes. The identification of the vulnerable areas of the city, prone to subsidence, can be of great help for a sustainable urban planning. Using Sentinel-1 data, by the PSI (persistent scatterer interferometry) technique, a vertical displacements map of Bucharest city has been prepared. It covers the time interval 2014–2018. Based on this map, several subsidence areas have been identified. One of them, holding a thick layer of debris from urban constructions, was analyzed in detail, on the basis of an accurate local geological model and by correlating the local displacements with the urban groundwater system hydraulic heads. The properties of the anthropogenic layer have been characterized by complementary geotechnical and hydrogeological studies. A dynamic instability pattern, highlighted by PSI results, has been put into evidence when related to this type of anthropogenic layer. This thick anthropogenic layer and its connections to the urban aquifer system have to be further analyzed, when the procedures of urban planning and design invoke constructive operations modifying the aquifer dynamics.
Irrigation Events Detection over Intensively Irrigated Grassland Plots Using Sentinel-1 Data
Authors: Bazzi Hassan , Baghdadi Nicolas , Fayad Ibrahim , Charron François , Zribi Mehrez , Belhouchette Hatem
Published: December 2020

Better management of water consumption and irrigation schedule in irrigated agriculture is essential in order to save water resources, especially at regional scales and under changing climatic conditions. In the context of water management, the aim of this study is to monitor irrigation activities by detecting the irrigation episodes at plot scale using the Sentinel-1 (S1) C-band SAR (synthetic-aperture radar) time series over intensively irrigated grassland plots located in the Crau plain of southeast France. The method consisted of assessing the newly developed irrigation detection model (IDM) at plot scale over the irrigated grassland plots. First, four S1-SAR time series acquired from four different S1-SAR acquisitions (different S1 orbits), each at six-day revisit time, were obtained over the study site. Next, the IDM was applied at each available SAR image from each S1-SAR series to obtain an irrigation indicator at each SAR image (no, low, medium, or high irrigation possibility). Then, the irrigation indicators obtained at each image from each S1-SAR time series (four series) were added and combined by threshold value criteria to determine the existence or absence of an irrigation event. Finally, the performance of the IDM for irrigation detection was assessed by comparing the in situ recorded irrigation events at each plot and the detected irrigation events. The results show that using only the VV polarization, 82.4% of the in situ registered irrigation events are correctly detected with an F_score value reaching 73.8%. Less accuracy is obtained using only the VH polarization, where 79.9% of the in situ irrigation events are correctly detected with an F_score of 72.2%. The combined use of the VV and VH polarization showed that 74.1% of the irrigation events are detected with a higher F_score value of 76.4%. The analysis of the undetected irrigation events revealed that, in the presence of very well-developed vegetation cover (normalized difference of vegetation index (NDVI) ≥ 0.8); higher uncertainty in irrigation detection is observed, where 80% of the undetected events correspond to an NDVI value greater than 0.8. The results also showed that small-sized plots encounter more false irrigation detections than large-sized plots certainly because the pixel spacing of S1 data (10 m × 10 m) is not adapted to small size plots. The obtained results prove the efficiency of the S1 C-band data and the IDM for detecting irrigation events at the plot scale, which would help in improving the irrigation water management at large scales especially with availability and global coverage of the S1 product.