bluuebunny/crossref_metadata_2025 huggingface dataset:
Application of Supervised Machine-Learning Methods for Attesting Provenance in Catalan Traditional Pottery Industry
Authors: Anglisano Anna , Casas Lluís , Anglisano Marc , Queralt Ignasi
Published: December 2019

The traditional pottery industry was an important activity in Catalonia (NE Spain) up to the 20th century. However, nowadays only few workshops persist in small villages were the activity is promoted as a touristic attraction. The preservation and promotion of traditional pottery in Catalonia is part of an ongoing strategy of tourism diversification that is revitalizing the sector. The production of authenticable local pottery handicrafts aims at attracting cultivated and high-purchasing power tourists. The present paper inspects several approaches to set up a scientific protocol based on the chemical composition of both raw materials and pottery. These could be used to develop a seal of quality and provenance to regulate the sector. Six Catalan villages with a renowned tradition of local pottery production have been selected. The chemical composition of their clays and the corresponding fired products has been obtained by Energy dispersive X-ray fluorescence (EDXRF). Using the obtained geochemical dataset, a number of unsupervised and supervised machine learning methods have been applied to test their applicability to define geochemical fingerprints that could allow inter-site discrimination. The unsupervised approach fails to distinguish samples from different provenances. These methods are only roughly able to divide the different provenances in two large groups defined by their different SiO2 and CaCO3 concentrations. In contrast, almost all the tested supervised methods allow inter-site discrimination with accuracy levels above 80%, and accuracies above 85% were obtained using a meta-model combining all the predictive supervised methods. The obtained results can be taken as encouraging and demonstrative of the potential of the supervised approach as a way to define geochemical fingerprints to track or attest the provenance of samples.
Minerals of Rare Earth Elements in High-Phosphorus Ooidal Ironstones of the Western Siberia and Turgai Depression
Authors: Rudmin Maxim , Reva Igor , Sokol Ella , Abdullayev Elshan , Ruban Aleksey , Kudryavtsev Andrey , Tolkachev Oleg , Mazurov Aleksey
Published: December 2019

The aim of this research was to study the rare earth (REE) minerals in ooidal ironstone deposits of the West Siberian basin and the Turgai depression. Authigenic minerals (monazite and cerite) were described, and their main mineral form was identified as light rare earth element phosphate (LREE-phosphate) in this study. LREE-phosphate is included in ferruginous ooids, peloids, and oncoids and forms a consistent mineral association with Fe-hydroxides (goethite and its hydrated amorphous derivatives) and Fe-rich layered silicates (Fe-illite-smectite, chamosite, berthierine). The constancy of the mineral association in two deposits of different ages indicates a general mechanism behind the formation of these minerals. LREE-phosphates (authigenic monazite) are characterized by microscopic sizes (up to 24 μm), diverse morphology (mainly spherical or xenomorphic), and occupy spaces between the micro-cortex in ferruginous spheroids. This mineral can be found in other deposits of ooidal ironstone. According to its mineralogical and chemical characteristics, LREE-phosphate mainly belongs to the authigenic (nodular or “gray”) monazite. However, the incomplete (not 100%) correspondence of Kikuchi bands with the reference monazite does not allow its reliable identification. Based on its small size, chemical leaching or bacterial interaction is recommended to extract REE from ooidal ironstone while predicting the associated removal of phosphorus from iron ore due to its dominant phosphate mineral form. Ooidal ironstone should be considered a complex deposit and an unconventional natural type of REE ores as an example of the largest Bakchar and Lisakovsk deposits.
Efflorescent Sulfate Crystallization on Fractured and Polished Colloform Pyrite Surfaces: A Migration Pathway of Trace Elements
Authors: Dimitrova Dimitrina , Mladenova Vassilka , Hecht Lutz
Published: December 2019

The colloform pyrite variety incorporates many trace elements that are released in the environment during rapid oxidation. Colloform pyrite from the Chiprovtsi silver–lead deposit in Bulgaria and its oxidation efflorescent products were studied using X-ray diffractometry, scanning electron microscopy, electron microprobe analysis, and laser ablation inductively coupled plasma mass spectrometry. Pyrite is enriched with (in ppm): Co (0.1–964), Ni (1.8–3858), Cu (2.9–3188), Zn (3.1–77), Ag (1.2–1771), As (8179–52,787), Se (2.7–21.7), Sb (48–17792), Hg (4–2854), Tl (1.7–2336), Pb (13–7072), and Au (0.07–2.77). Gypsum, anhydrite, szomolnokite, halotrichite, römerite, copiapite, aluminocopiapite, magnesiocopiapite, coquimbite, aluminocoquimbite, voltaite, and ammoniomagnesiovoltaite were identified in the efflorescent sulfate assemblage. Sulfate minerals contain not only inherited elements from pyrite (Cr, Fe, Co, Ni, Cu, Zn, Ag, In, As, Sb, Hg, Tl, and Pb), but also newly introduced elements (Na, Mg, Al, Si, P, K, Ca, Sc, Ti, V, Mn, Ga, Rb, Sr, Y, Zr, Sn, Cs, Ba, REE, U, and Th). Voltaite group minerals, copiapite, magnesiocopiapite, and römerite incorporate most of the trace elements, especially the most hazardous As, Sb, Hg, and Tl. Colloform pyrite occurrence in the Chiprovtsi deposit is limited. Its association with marbles would further restrict the oxidation and release of hazardous elements into the environment.
Origin of Talc and Fe-Ti-V Mineralization in the Kletno Deposit (the Śnieżnik Massif, SW Poland)
Authors: Gil Grzegorz , Gunia Piotr , Barnes Jaime D. , Szymański Michał , Jokubauskas Petras , Kalbarczyk-Gil Anna , Bagiński Bogusław
Published: December 2019

The Kletno deposit in the Śnieżnik Massif (Central Sudetes, SW Poland), mined for Fe, U, Ag, Cu, fluorite, and marble through the ages, developed at the contact of marbles and orthogneiss. Here, we present a new Fe-Ti-V-ore (containing up to 14.07 wt. % Fe, 2.05 wt. % Ti, and 2055 ppm V in bulk rock) and ornamental- to gem-quality talc prospect at the southwest margin of this deposit. This newly documented Fe-Ti-V mineralization is hosted in hornblendites, dolomite veins, and chlorite schists, which, along with talc, envelopes a tectonic slice of serpentinite. Hornblendites are interpreted as metamorphosed ferrogabbros, derived from the same mafic melts as adjacent barren metagabbros. The oxygen and carbon isotope compositions of metabasites and dolomite veins (amphibole δ18O values = 8.8–9.3‰; carbonate δ18O values = 12.8–16.0‰, and δ13C values = −8.3‰ to −7.2‰), in combination with those of the country marbles (carbonate δ18O and δ13C values = 23.2‰ and +0.1‰, respectively), suggest that mineralization-bearing hornblendites formed due to interaction of the mafic magma with CO2 released during the decarbonation of the sediments. The CO2-bearing fluid interaction with gabbros likely caused carbonation of the gabbros and formation of the dolomite veins, whereas talc formed due to Si-rich fluids, possibly derived from a mafic intrusion, interaction with serpentinite, or due to the metasomatism of the serpentinite–gabbro assemblage. Moreover, fluids leaching Fe and Ti from the adjacent sediments can mix with the mafic magma causing enrichment of the magma in Fe and Ti. Consequently, the mineralization-bearing ferrogabbros became even more enriched in Fe and Ti, which can be linked with the formation of Fe-Ti-V ore bodies.
Lipid Profiling and Stable Isotopic Data Analysis for Differentiation of Extra Virgin Olive Oils Based on Their Origin
Authors: Lukić Igor , Da Ros Alessio , Guella Graziano , Camin Federica , Masuero Domenico , Mulinacci Nadia , Vrhovsek Urska , Mattivi Fulvio
Published: December 2019

To differentiate extra virgin olive oils (EVOO) according to the origin of purchase, such as monocultivar Italian EVOO with protected denomination of origin (PDO) and commercially-blended EVOO purchased in supermarkets, a number of samples was subjected to the analysis of various lipid species by liquid chromatography/mass spectrometry (LC-ESI-MS/MS, LC-ESI-IT-MS) and proton nuclear magnetic resonance analysis (1H-NMR). Many putative chemical markers were extracted as differentiators by uni- and multivariate statistical analysis. Commercially-blended EVOO contained higher concentrations of the majority of minor lipids, including free fatty acids, their alkyl (methyl and ethyl) esters, monoglycerides, and diglycerides, which may be indicative of a higher degree of triglyceride lipolysis in these than in monocultivar PDO EVOO. Triterpenoids and particular TAG species were also found in higher proportions in the samples from the commercially-blended EVOO class, suggesting a possible influence of factors such as the cultivar and geographical origin. The largest differences between the classes were determined for the concentrations of uvaol and oleanolic acid. The results of the analysis by isotopic ratio mass spectrometry (IRMS) were reasonably consistent with the information about the geographical origin declared on the labels of the investigated EVOOs, showing considerable variability, which possibly also contributed to the differences in lipid composition observed between the two investigated classes of EVOO.
Growing Importance of Natural Products Research
Authors: Drasar Pavel B. , Khripach Vladimir A.
Published: December 2019

Natural products and preparations based on them play a stable and ever-increasing role in human and veterinary medicine, agriculture, in food and the cosmetic industry, and in other increasing numbers of fields [...]
Multifloroside Suppressing Proliferation and Colony Formation, Inducing S Cell Cycle Arrest, ROS Production, and Increasing MMP in Human Epidermoid Carcinoma Cell Lines A431
Authors: Zhang Xin , Li Yamei , Feng Zhengping , Zhang Yaling , Gong Ye , Song Huanhuan , Ding Xiaoli , Yan Yaping
Published: December 2019

Multifloroside (4), together with 10-hydroxyoleoside 11-methyl ester (1), 10-hydroxyoleoside dimethyl ester (2), and 10-hydroxyligustroside (3), are all secoiridoids, which are naturally occurring compounds that possess a wide range of biological and pharmacological activities. However, the anti-cancer activity of 1–4 has not been evaluated yet. The objective of this work was to study the anti-cancer activities of 1–4 in the human epidermoid carcinoma cell lines A431 and the human non-small cell lung cancer (NSCLC) cell lines A549. The results indicate that 1–4 differ in potency in their ability to inhibit the proliferation of human A431 and A549 cells, and multifloroside (4) display the highest inhibitory activity against A431 cells. The structure-activity relationships suggest that the o-hydroxy-p-hydroxy-phenylethyl group may contribute to the anti-cancer activity against A431 cells. Multifloroside treatment can also inhibit cell colony formation, arrest the cell cycle in the S-phase, increase the levels of reactive-oxygen-species (ROS), and mitochondrial membrane potential (MMP), but it did not significantly induce cell apoptosis at low concentrations. The findings indicated that multifloroside (4) has the tendency to show selective anti-cancer effects in A431 cells, along with suppressing the colony formation, inducing S cell cycle arrest, ROS production, and increasing MMP.
A Critical View of the Application of the APEX Software (Aqueous Photochemistry of Environmentally-Occurring Xenobiotics) to Predict Photoreaction Kinetics in Surface Freshwaters
Authors: Vione Davide
Published: December 2019

The APEX (aqueous photochemistry of environmentally occurring xenobiotics) software computes the phototransformation kinetics of compounds that occur in sunlit surface waters. It is free software based on Octave, and was originally released in 2014. Since then, APEX has proven to be a remarkably flexible platform, allowing for the addressing of several environmental problems. However, considering APEX as a stand-alone software is not conducive to exploiting its full potentialities. Rather, it is part of a whole ecosystem that encompasses both the software and the laboratory protocols that allow for the measurement of substrate photoreactivity parameters. Coherently with this viewpoint, the present paper shows both how to use APEX, and how to experimentally derive or approximately assess the needed input data. Attention is also given to some issues that might provide obstacles to users, including the extension of APEX beyond the simple systems for which it was initially conceived. In particular, we show how to use APEX to deal with compounds that undergo acid–base equilibria, and with the photochemistry of systems such as stratified lakes, lakes undergoing evaporation, and rivers. Hopefully, this work will provide a reference for the smooth use of one of the most powerful instruments for the modeling of photochemical processes in freshwater environments. All authors have read and agreed to the published version of the manuscript.
Design, Synthesis, and Biological Evaluation of Pyridineamide Derivatives Containing a 1,2,3-Triazole Fragment as Type II c-Met Inhibitors
Authors: Xiong Hehua , Cheng Jianxin , Zhang Jianqing , Zhang Qian , Xiao Zhen , Zhang Han , Tang Qidong , Zheng Pengwu
Published: December 2019

A series of 4-(pyridin-4-yloxy)benzamide derivatives containing a 1,2,3-triazole fragment were designed, synthesized, and their inhibitory activity against A549, HeLa, and MCF-7 cancer cell lines was evaluated. Most compounds exhibited moderate to potent antitumor activity against the three cell lines. Among them, the promising compound B26 showed stronger inhibitory activity than Golvatinib, with IC50 values of 3.22, 4.33, and 5.82 μM against A549, HeLa, and MCF-7 cell lines, respectively. The structure–activity relationships (SARs) demonstrated that the modification of the terminal benzene ring with a single electron-withdrawing substituent (fluorine atom) and the introduction of a pyridine amide chain with a strong hydrophilic group (morpholine) to the hinge region greatly improved the antitumor activity. Meanwhile, the optimal compound B26 showed potent biological activity in some pharmacological experiments in vitro, such as cell morphology study, dose-dependent test, kinase activity assay, and cell cycle experiment. Finally, the molecular docking simulation was performed to further explore the binding mode of compound B26 with c-Met.
Inhibitory Effects of Myrtucommuacetalone 1 (MCA-1) from Myrtus Communis on Inflammatory Response in Mouse Macrophages
Authors: Soomro Samreen , Mesaik M. Ahmed , Shaheen Farzana , Khan Noureen , Halim Sobia Ahsan , Ul-Haq Zaheer , Ali Siddiqui Rafat , Choudhary Muhammad Iqbal
Published: December 2019

(1) Introduction: Reactive oxygen species (ROS) and nitric oxide (NO) are key signaling molecules that play important roles in the progression of inflammatory disorders. The objective of this study was to explore the use of myrtucommuacetalone-1 (MCA-1), as a novel compound of natural origin and a potential anti-inflammatory agent. (2) Methodology: The anti-inflammatory potential of MCA-1, which was isolated from Myrthus communis Linn, was determined by assaying superoxide, hydrogen peroxide, and nitric oxide production in macrophages. Furthermore, the effects of the compound were analyzed via phosphorylation and translocation of the transcription factor NF kappa B, which is a key regulator of iNOS activation. The effect of MCA-1 on the inducible nitric oxide synthase (iNOS) enzyme was also examined using in silico docking studies. The anticancer potential for MCA-1 was evaluated with an MTT cytotoxic assay. (3) Results: In stimulated macrophages, MCA-1 inhibited superoxide production by 48%, hydrogen peroxide by 53%, and nitric oxide (NO) with an IC50 of <1 µg/mL. MCA-1 also showed a very strong binding pattern within the active site of the inducible nitric oxide synthase enzyme. Furthermore, 25 µg/mL of MCA-1 inhibited inducible nitric oxide synthase expression and abolished transcription factor (NFκB) phosphorylation and translocation to the nucleus. Cytotoxicity analyses of MCA-1 on 3T3 mouse fibroblasts, CC1 liver cell line, J774.2, macrophages and MDBK bovine kidney epithelial cell, yielded IC50 values of 6.53 ± 1.2, 4.6 ± 0.7, 5 ± 0.8, and 4.6 ± 0.7, µg/mL, respectively. (4) Conclusion: Our results suggest that MCA-1, a major phloroglucinol-type compound, shows strong anti-inflammatory activity and has a potential to be a leading therapeutic agent in the future.
Protopine Protects Mice against LPS-Induced Acute Kidney Injury by Inhibiting Apoptosis and Inflammation via the TLR4 Signaling Pathway
Authors: Zhang Beibei , Zeng Mengnan , Li Meng , Kan Yuxuan , Li Benke , Xu Ruiqi , Wu Yuanyuan , Wang Shengchao , Zheng Xiaoke , Feng Weisheng
Published: December 2019

Corydalis humosa Migo is a traditional Chinese medicine that clears away damp heat, relieves sore. Protopine (PRO) is an alkaloid component isolated from C. humosa Migo. However, the role of protopine in acute kidney injury (AKI) has not yet been reported. This study aims to investigate the effect and mechanism of protopine isolated from C. humosa Migo on lipopolysaccharide (LPS)-induced AKI in mice. Inflammation accumulation was assessed by small animal living imaging. The blood urea nitrogen (BUN), and serum creatinine (Scr) were measured to assess the effects of protopine on renal function in LPS-induced AKI. The levels of tumor necrosis factor (TNF), interleukin-2 (IL-2), interferon-γ (IFN-γ), and (interleukin-10) IL-10 in serum were detected by cytometric bead array. Flow cytometry was used to detect the levels of reactive oxygen species (ROS) in primary kidney cells. The proportions of granulocytes, neutrophils, and macrophages in peripheral blood were examined to evaluate the effect of protopine on immune cells in mice with AKI. Toll-like receptor (TLR4) and apoptotic signaling pathway were detected by Western blot analysis. The results showed that protopine markedly improved the renal function, relieve inflammation, reversed inflammatory cytokines, transformed apoptosis markers, and regulated the TLR4 signaling pathway in mice with AKI induced by LPS. The protopine isolated from C. humosa Migo protected mice against LPS-induced AKI by inhibiting apoptosis and inflammation via the TLR4 signaling pathway, thus providing a molecular basis for a novel medical treatment of AKI.
Design, Synthesis and Study of Nitrogen Monoxide Donors as Potent Hypolipidaemic and Anti-Inflammatory Agents
Authors: Theodosis-Nobelos Panagiotis , Papagiouvanis Georgios , Pantelidou Maria , Kourounakis Panos N. , Athanasekou Chrysoula , Rekka Eleni A.
Published: December 2019

Inflammation and oxidative stress are involved in cardiovascular diseases. Nitrogen monoxide participates in the regulation of endothelial processes. Thus, derivatives of classic nonsteroidal anti-inflammatory drugs (NSAIDs), trolox or cinnamic acids esterified with 2-(nitrooxy)ethanol were designed and studied. It was found that the nitrogen monoxide (NO) releasing activity was comparable to that of S-nitroso-N-acetylpenicillamine. The nitrooxy derivatives decreased potently lipid indices in the plasma of hyperlipidaemic rats (30–85%). All compounds presented increased anti-inflammatory activity in vivo, inhibiting carrageenan-induced rat paw oedema as high as 76%, up to six times higher than that of the parent acids. Lipoxygenase inhibitory activity was significant for most of them, although the parent molecules exerted a minor effect (IC50 > 0.2 mM). Those compounds incorporating an antioxidant structure inhibited rat microsomal membrane lipid peroxidation strongly and possessed radical scavenging activity. These results indicated that the described compounds could act at different targets in multifactorial diseases, further limiting the possible adverse effects of drug combinations.
In Silico and In Vivo Analysis of IL37 in Multiple Sclerosis Reveals Its Probable Homeostatic Role on the Clinical Activity, Disability, and Treatment with Fingolimod
Authors: Cavalli Eugenio , Mazzon Emanuela , Basile Maria Sofia , Mammana Santa , Pennisi Manuela , Fagone Paolo , Kalfin Reni , Martinovic Vanja , Ivanovic Jovana , Andabaka Marko , Mesaros Sarlota , Pekmezovic Tatjana , Drulovic Jelena , Nicoletti Ferdinando , Petralia Maria Cristina
Published: December 2019

We evaluated the in silico expression and circulating levels of interleukin (IL)37 in patients with different forms of multiple sclerosis (MS) and also upon treatment with different disease-modifying drugs. The combined interpretation of the resulting data strengthens and extends the current emerging concept that endogenous IL37 plays an important role in determining onset and progression of MS. The in silico analysis revealed that production of IL37 from cluster of differentiation (CD)4+ T cells from MS patients was reduced in vitro as compared to healthy controls. The analysis of the datasets also demonstrated that “higher” levels of IL37 production from PBMC entailed significant protection from MS relapses. In addition, the in vivo part of the study showed that IL37 was selectively augmented in the sera of MS patients during a relapse and that treatment with the high potency disease-modifying drug fingolimod significantly increased the frequency of patients with circulating blood levels of IL37 (6/9, 66%) as compared to patients receiving no treatment (n = 48) or platform therapy (n = 59) who had levels of IL37 below the limit of the sensitivity of the assay. This finding therefore anticipates that fingolimod may at least partially exert its beneficial effects in MS by upregulating the production of IL37.
Muraymycin Nucleoside Antibiotics: Structure-Activity Relationship for Variations in the Nucleoside Unit
Authors: Heib Anna , Niro Giuliana , Weck Stefanie C. , Koppermann Stefan , Ducho Christian
Published: December 2019

Muraymycins are a subclass of naturally occurring nucleoside antibiotics with promising antibacterial activity. They inhibit the bacterial enzyme translocase I (MraY), a clinically yet unexploited target mediating an essential intracellular step of bacterial peptidoglycan biosynthesis. Several structurally simplified muraymycin analogues have already been synthesized for structure–activity relationship (SAR) studies. We now report on novel derivatives with unprecedented variations in the nucleoside unit. For the synthesis of these new muraymycin analogues, we employed a bipartite approach facilitating the introduction of different nucleosyl amino acid motifs. This also included thymidine- and 5-fluorouridine-derived nucleoside core structures. Using an in vitro assay for MraY activity, it was found that the introduction of substituents in the 5-position of the pyrimidine nucleobase led to a significant loss of inhibitory activity towards MraY. The loss of nucleobase aromaticity (by reduction of the uracil C5-C6 double bond) resulted in a ca. tenfold decrease in inhibitory potency. In contrast, removal of the 2′-hydroxy group furnished retained activity, thus demonstrating that modifications of the ribose moiety might be well-tolerated. Overall, these new SAR insights will guide the future design of novel muraymycin analogues for their potential development towards antibacterial drug candidates.
Myeloid Differentiation Protein 2 Mediates Angiotensin II-Induced Liver Inflammation and Fibrosis in Mice
Authors: Zhang Yi , Liu Hui , Jia Wenjing , Qi Jiayu , Zhang Wentao , Zhang Wenxin , Liang Guang , Zhang Yali , Chen Hongjin
Published: December 2019

Angiotensin II (Ang II) participates in the pathogenesis of liver injury. Our previous publications reported that myeloid differentiation protein 2 (MD2) mediates Ang II-induced cardiac and kidney inflammation by directly binding to Ang II. Thus, we hypothesize that MD2 is critical to Ang II-induced liver injury. Subcutaneous injections of Ang II for 8 weeks were adopted to build the liver injury model. With a specific MD2 inhibitor L6H21 and MD2 knockout mice, we reported that MD2 inhibition and knockout significantly mitigate liver inflammation and fibrosis in mice injected with Ang II. To be more specific, the functional and pathological damages induced by Ang II were mitigated by L6H21 or MD2 knockout. MD2 knockout or L6H21 administration inhibited the Ang II-induced upregulation of fibrosis markers, inflammatory cytokines, and adhesion molecules in gene or protein levels. The activation of NF-κB and Extracellular signal-regulated kinases (ERK) induced by Ang II was also reversed by L6H21 treatment or MD2 deficiency. Note that the co-immunoprecipitation study showed that L6H21 downregulated the ANG II-induced toll-like receptor 4 (TLR4)/MD2 complex in liver tissues while having no effects on MD2 expression. Our results reported the critical role of MD2 in the progress of liver injury and suggested that MD2 is a potential therapeutic target for liver injury.
Glycomic Signatures of Plasma IgG Improve Preoperative Prediction of the Invasiveness of Small Lung Nodules
Authors: Zou Xia , Yao Feng , Yang Fang , Zhang Fang , Xu Zhijue , Shi Jingjing , Kuno Atsushi , Zhao Heng , Zhang Yan
Published: December 2019

Preoperative assessment of tumor invasiveness is essential to avoid overtreatment for patients with small-sized ground-glass nodules (GGNs) of 10 mm or less in diameter. However, it is difficult to determine the pathological state by computed tomography (CT) examination alone. Aberrant glycans has emerged as a tool to identify novel potential disease biomarkers. In this study, we used a lectin microarray-based strategy to investigate whether glycosylation changes in plasma immunoglobulin G (IgG) provide additional information about the invasiveness of small GGNs before surgery. Two independent cohorts (discovery set, n = 92; test set, n = 210) of GGN patients were used. Five of 45 lectins (Sambucus nigra agglutinin, SNA; Datura stramonium agglutinin, DSA; Galanthus nivalis agglutinin, GNA; Euonymus europaeus lectin, EEL; and Vicia villosa agglutinin, VVA) were identified as independent factors associated with pathological invasiveness of small GGNs (p < 0.01). Receiver-operating characteristic (ROC) curve analysis indicated the combination of these five lectins could significantly improve the accuracy of CT in diagnosing invasive GGNs, with an area under the curve (AUC) of 0.792 (p < 0.001), a sensitivity of 74.6%, and specificity of 74.4%, which was superior to current clinical biomarkers. These results suggest that the multilectin assay based on plasma IgG glycosylation may be a useful in vitro complementary test to enhance preoperative determination of the invasiveness of GGNs and guide surgeons to select proper clinical management to avoid overtreatment.
Terpenoids in the Essential Oil and Concentrated Aromatic Products Obtained from Nicotiana glutinosa L. Leaves
Authors: Popova Venelina , Ivanova Tanya , Stoyanova Albena , Nikolova Violeta , Hristeva Tsveta , Gochev Velizar , Yonchev Yonko , Nikolov Nikolay , Zheljazkov Valtcho D.
Published: December 2019

N. glutinosa L. is a relatively less studied Nicotiana species (Solanaceae), although there are data about its importance as a model plant in viral control studies, as a gene donor in tobacco hybridization and as a source of agents with insecticidal or fungicidal effects. The biological activities of the species were associated mostly with the presence of leaf surface metabolites, in particular diterpenes and sucrose esters. The aim of this study was to identify the chemical composition of the essential oil (EO) and two aromatic extraction products (concrete and resinoid) obtained from N. glutinosa L. leaves. GC-MS analysis identified 26 components in the EO (representing 97.3% of total oil content), which contained mostly diterpene compounds with major components manool (14.2%), sclarene (8.4%) and manoyl oxide (8.1%). The number of compounds identified in the concrete was 37 (95.5% of the total content) and the major component was the diterpene alcohol sclareol (14.2%). In the resinoid, 30 volatile components (representing 95.1% of resinoid content) were identified, with major components nicotine (32.9%), α-tocopherol (8.2%), tridecanoin (6.9%), sclareol (6.9%), and solanone (6.9%). The group of bicyclic diterpenes had the largest share in the diterpene fraction of the products (57.3%, 91.7%, and 86.3%, respectively for the EO, concrete, and resinoid). Considering the abundance of sclareol in the aromatic products, the antimicrobial activity of the pure substance was determined. Sclareol was highly effective against a set of medicinally important yeasts; Candida albicans АТСС 10231, C. glabrata ATCC 90030, C. parapsilosis clinical isolate, and C. tropicalis NBIMCC 23, while being less effective against the studied Gram-positive and Gram-negative bacteria. Data from the study on N. glutinosa aromatic products composition may be of interest to the aroma industries for their possible use in perfumery and cosmetics.
A Triazole Hybrid of Neolignans as a Potential Antileishmanial Agent by Triggering Mitochondrial Dysfunction
Authors: Cardozo Pinto de Arruda Carla , de Jesus Hardoim Daiana , Silva Rizk Yasmin , da Silva Freitas de Souza Celeste , Zaverucha do Valle Tânia , Bento Carvalho Diego , Nosomi Taniwaki Noemi , de Morais Baroni Adriano Cesar , da Silva Calabrese Kátia
Published: December 2019

In the search for new compounds with antileishmanial activity, we synthesized a triazole hybrid analogue of the neolignans grandisin and machilin G (LASQUIM 25), which was previously found highly active against both promastigotes and intracellular amastigote forms of Leishmania amazonensis. In this work, we investigated the leishmanicidal effects of LASQUIM 25 to identify the mechanisms involved in the cell death of L. amazonensis promastigotes. Transmission electron microscopy (TEM) analysis showed marked effects of LASQUIM 25 (IC50 = 7.2 µM) on the morphology of promastigote forms, notably on mitochondria. The direct action of the triazole derivative on the parasite was noticed over time from 2 h to 48 h, and cells displayed several ultrastructural alterations characteristic of apoptotic cells. Also, flow cytometric analysis (FACS) after TMRE staining detected changes in mitochondrial membrane potential after LASQUIM 25 treatment (64.83% labeling versus 83.38% labeling in nontreated cells). On the other hand, FACS after PI staining in 24 h-treatment showed a slight alteration in the integrity of the cell membrane, a necrotic event (16.76% necrotic cells versus 3.19% staining in live parasites). An abnormal secretion of lipids was observed, suggesting an exocytic activity. Another striking finding was the presence of autophagy-related lysosome-like vacuoles, suggesting an autophagic cell death that may arise as consequence of mitochondrial stress. Taken together, these results suggest that LASQUIM 25 leishmanicidal mechanisms involve some degree of mitochondrial dysregulation, already evidenced by the treatment with the IC50 of this compound. This effect may be due to the presence of a methylenedioxy group originated from machilin G, whose toxicity has been associated with the capacity to generate electrophilic intermediates.
Enniatin A1, A Natural Compound with Bactericidal Activity against Mycobacterium tuberculosis In Vitro
Authors: Wang Gaoyan , Dong Wenqi , Lu Hao , Lu Wenjia , Feng Jiajia , Wang Xiangru , Chen Huanchun , Liu Manli , Tan Chen
Published: December 2019

Background: Tuberculosis remains a global disease that poses a serious threat to human health, but there is lack of new and available anti-tuberculosis agents to prevent the emergence of drug-resistant strains. To address this problem natural products are still potential sources for the development of novel drugs. Methods: A whole-cell screening approach was utilized to obtain a natural compound enniatin A1 from a natural products library. The target compound’s antibacterial activity against Mycobacterium tuberculosis (M. tuberculosis) was evaluated by using the resazurin reduction micro-plate assay (REMA) method. The cytotoxicity of the compound against Vero cells was measured to calculate the selectivity index. The intracellular inhibition activity of enniatin A1 was determined. We performed its time-kill kinetic assay against M. tuberculosis. We first tested its synergistic effect in combination with the first and second-line anti-tuberculosis drugs. Finally, we measured the membrane potential and intracellular ATP levels of M. tuberculosis after exposure to enniatin A1. Results: We identified enniatinA1 as a potential antibacterial agent against M. tuberculosis, against which it showed strong selectivity. Enniatin A1 exhibited a time-concentration-dependent bactericidal effect against M. tuberculosis, and it displayed synergy with rifamycin, amikacin, and ethambutol. After exposure to enniatinA1, the membrane potential and intracellular ATP levels of M. tuberculosis was significantly decreased. Conclusions: Enniatin A1 exhibits the positive potential anti-tuberculosis agent characteristics.
Pharmacokinetics and Tissue Distribution of Anwuligan in Rats after Intravenous and Intragastric Administration by Liquid Chromatography-Mass Spectrometry
Authors: Song Yang , Zhang Yuan , Duan Xiao-Yi , Cui Dong-Wei , Qiu Xin , Bian Yu , Wang Ke-Fei , Feng Xue-Song
Published: December 2019

Anwuligan, a natural 2,3-dibenzylbutane lignan from the nutmeg mace of Myristica fragans, has been proved to possess a broad range of pharmacological effects. A rapid, simple, and sensitive liquid chromatography tandem mass spectrometry (LC-MS/MS) method has been established and successfully applied to the study of pharmacokinetics and tissue distribution of anwuligan after intravenous or intragastric administration. Sample preparation was carried out through a liquid-liquid extraction method with ethyl acetate as the extraction reagent. Arctigenin was used as the internal standard (IS). A gradient program was employed with a mobile phase consisting of 0.1% formic acid aqueous solution and acetonitrile. The mass spectrometer was operated in a positive ionization mode with multiple reaction monitoring. The transitions for quantification were m/z 329.0→205.0 for anwuligan and m/z 373.0→137.0 for IS, respectively. Calibration curves were linear over the ranges of 0.5–2000 ng/mL for both plasma samples and tissue samples (r > 0.996). The absolute bioavailability is 16.2%, which represented the existing of the obvious first-pass effect. An enterohepatic circulation was found after the intragastric administration. Anwuligan could be distributed rapidly and widely in different tissues and maintained a high concentration in the liver. The developed and validated LC-MS/MS method and the pharmacokinetic study of anwuligan would provide reference for the future investigation of the preclinical safety of anwuligan as a candidate drug.
A New LC-MS/MS Method for Simultaneous and Quantitative Detection of Bisphenol-A and Steroids in Target Tissues: A Power Tool to Characterize the Interference of Bisphenol-A Exposure on Steroid Levels
Authors: Errico Sonia , Chioccarelli Teresa , Moggio Martina , Diano Nadia , Cobellis Gilda
Published: December 2019

Bisphenol A (BPA), an endocrine disruptor, may affect in situ steroidogenesis and alter steroids levels. The present work proposes a liquid chromatography tandem mass spectrometry method to simultaneously quantify BPA, 17β-Estradiol and testosterone in two target tissues: testis and visceral fat mass. Analytes were isolated and lipophilic impurities removed by two serial steps: liquid-liquid and solid phase extraction. All compounds were separated in a single gradient run by Kinetex F5 column and detected via multiple reaction monitoring using a triple quadrupole with a TurboIon electrospray source in both negative and positive modes. The method is selective and very sensitive. In the investigated concentration range, the linearity of the detector response is verified in both tissues. The use of specific SPE cartridges for affinity chromatography purification allows obtaining high percentages of process efficiency (68.0–83.3% for testicular tissue; 63.7–70.7% for visceral fat mass). Good repeatability and reproducibility was observed. The validated method can be efficiently applied for direct biological monitoring in testis and visceral fat mass from mice exposed to BPA. The quantification of compounds in a single assay could be achieved without a loss of sensitivity.
Catalytic Performance of Palladium Supported on Sheaf-Like Ceria in the Lean Methane Combustion
Authors: Li Shuna , Zhang Yagang , Shi Jing , Zhu Gang , Xie Yanxiang , Li Zhikai , Wang Ruiyi , Zhu Huaqing
Published: December 2019

Sheaf-like CeO2 (CeO2-S) in microscale was prepared by the hydrothermal method, and then etched with KOH aiming to obtain an imperfect fluorite structure (CeO2-SK) with high content of oxygen vacancies and oxygen mobility. With CeO2-S and CeO2-SK as supports respectively, a modified colloidal deposition method was employed to obtain Pd/CeO2 catalysts for being used in lean methane combustion. According to the inductively coupled plasma (ICP), N2 physisorption and scanning electron microscopy (SEM) results, the Pd supported catalysts are very similar in their Pd loading, surface area and morphologies. SEM and transmission electron microscopy (TEM) results revealed various nanorods exposed CeO2 (110) and (100) facets on Pd/CeO2-SK surface after KOH etching. Raman spectra and H2-temperature programmed reduction (H2-TPR) results indicated that Pd/CeO2-SK catalyst has a much higher content of catalytic active PdO species than Pd/CeO2-S catalyst. It was also found that the catalytic performance of Pd/CeO2 in lean methane combustion depends greatly upon the exposing crystal planes and oxygen vacancies content of sheaf-like CeO2, and Pd/CeO2-SK exhibits higher activity than Pd/CeO2-S. The larger amount of CeO2 (110) and (100) planes on Pd/CeO2-SK surface can enhance the formation of oxygen vacancies, active Pd species and migration of lattice oxygen, which all evidently improve the redox ability and catalytic activity of the Pd/CeO2-SK catalysts in lean methane combustion.
Graphene Oxide with Controlled Content of Oxygen Groups as a Filler for Polymer Composites Used for Infrared Radiation Shielding
Authors: Mazurkiewicz-Pawlicka Marta , Nowak Maksymilian , Malolepszy Artur , Witowski Andrzej , Wasik Dariusz , Hu Yi , Stobinski Leszek
Published: December 2019

Infrared (IR) shielding materials are commonly used for different applications, such as smart windows or optical filters. Infrared radiation is responsible for about 50% of the energy coming from the sun. During a hot summer or cold winter a lot of energy is needed to keep the optimal temperature inside buildings and means of transport. To reduce the heat transmission and save energy IR shielding materials can be used as coatings made of polymer composites. Graphene oxide (GO) and its reduced forms have interesting IR absorption properties and might be used as a filler in a polymer matrix for IR shielding applications. Graphene oxide can be reduced by different methods. Depending on the reduction method reduced graphene oxide (rGO) with a different content of oxygen can be obtained exhibiting different properties. In this work we propose new polymer nanocomposites with poly(vinyl alcohol) as the matrix and 0.1 wt.% addition of graphene materials with different oxygen content to be used for IR shielding applications. The results show that the properties of the graphene filler strongly influence the infrared shielding properties of the obtained nanocomposites. The best IR shielding properties were obtained for the composites where rGO with the lowest oxygen content was used.
Heterogeneity in Biodistribution and Cytotoxicity of Silver Nanoparticles in Pulmonary Adenocarcinoma Human Cells
Authors: Ha My Kieu , Chung Kyung Hwun , Yoon Tae Hyun
Published: December 2019

Cellular association of nanoparticles (NPs) and their resultant cytotoxicity are heterogeneous in nature and can be influenced by the variances in NPs’ properties, cell types, and status. However, conventional in vitro assays typically consider the administered NP dose and the averaged cellular responses based on the assumption of a uniform distribution of monodisperse NPs in homogeneous cells, which might be insufficient to describe the complex nature of cell–NP interactions. Here, using flow cytometry, we report observations of the heterogeneity in the cellular association of silver nanoparticles (AgNPs) in A549 cells, which resulted in distinct dose-response relationships and cytotoxicity. Type I and Type II cells were moderately associated with AgNPs but as the cellular AgNP dose increased, Type I cells remained viable while Type II cells became less viable. Type III cells did not have high affinity with AgNPs but were, however, the least viable. Transmission electron microscopic images revealed that the biodistribution and the released Ag+ ions contributed to the distinct toxic effects of AgNPs in different populations. This single-cell dose-response analysis approach enabled the examination of how differently individual cells responded to different cellular NP doses and provided insights into nanotoxicity pathways at a single-cell level.
Child Consumption of Whole Fruit and Fruit Juice Following Six Months of Exposure to a Pediatric Fruit and Vegetable Prescription Program
Authors: Saxe-Custack Amy , LaChance Jenny , Hanna-Attisha Mona
Published: December 2019

Public health recommendations suggest limiting child consumption of fruit juice in favor of whole fruit due to juice’s high sugar content, lack of fruit fiber, and potential for excess intake. However, replacing juice with whole fruit may be particularly challenging for low-income and minority children, who report the highest intake of 100% juice. To address access and affordability challenges among low-income children, researchers partnered with pediatricians in an urban food desert community, to introduce a fruit and vegetable prescription program (FVPP) that provided a $15 prescription for fresh produce to every child during each office visit. Participating vendors included a farmers’ market and local mobile market. This study assessed changes in daily consumption of total fruit and whole fruit among 108 pediatric patients following six months of exposure to the FVPP. Child-reported mean daily intake of whole fruit increased significantly from the baseline to the 6-month follow-up (p = 0.03): 44% of children reported an increased intake of at least ¼ cup per day, and 30% reported an increased intake of at least ½ cup per day. Changes in total fruit intake (including fruit juice) were not significant. Results suggest a pediatric FVPP may have meaningful impacts on children’s dietary behaviors, particularly with regard to the intake of whole fruits.
Biomarkers of a Healthy Nordic Diet—From Dietary Exposure Biomarkers to Microbiota Signatures in the Metabolome
Authors: Landberg Rikard , Hanhineva Kati
Published: December 2019

Whole diets and dietary patterns are increasingly highlighted in modern nutrition and health research instead of single food items or nutrients alone. The Healthy Nordic Diet is a dietary pattern typically associated with beneficial health outcomes in observational studies, but results from randomized controlled trials are mixed. Dietary assessment is one of the greatest challenges in observational studies and compliance is a major challenge in dietary interventions. During the last decade, research has shown the great importance of the gut microbiota in health and disease. Studies have have both shown that the Nordic diet affects the gut microbiota and that the gut microbiota predicts the effects of such a diet. Rapid technique developments in the area of high-throughput mass spectrometry have enabled the large-scale use of metabolomics both as an objective measurement of dietary intake as well as in providing the final readout of the endogenous metabolic processes and the impact of the gut microbiota. In this review, we give an update on the current status on biomarkers that reflect a Healthy Nordic Diet or individual components thereof (food intake biomarkers), biomarkers that show the effects of a Healthy Nordic Diet and biomarkers reflecting the role of a Healthy Nordic Diet on the gut microbiota as well as how the gut microbiota or derived molecules may be used to predict the effects of a Healthy Nordic Diet on different outcomes.
Effects of Sucralose Ingestion versus Sucralose Taste on Metabolic Responses to an Oral Glucose Tolerance Test in Participants with Normal Weight and Obesity: A Randomized Crossover Trial
Authors: Nichol Alexander D. , Salame Clara , Rother Kristina I. , Pepino M. Yanina
Published: December 2019

Here, we tested the hypothesis that sucralose differentially affects metabolic responses to labeled oral glucose tolerance tests (OGTTs) in participants with normal weight and obesity. Participants (10 with normal weight and 11 with obesity) without diabetes underwent three dual-tracer OGTTs preceded, in a randomized order, by consuming sucralose or water, or by tasting and expectorating sucralose (e.g., sham-fed; sweetness control). Indices of β-cell function and insulin sensitivity (SI) were estimated using oral minimal models of glucose, insulin, and C-peptide kinetics. Compared with water, sucralose ingested (but not sham-fed) resulted in a 30 ± 10% increased glucose area under the curve in both weight groups. In contrast, the insulin response to sucralose ingestion differed depending on the presence of obesity: decreased within 20–40 min of the OGTT in normal-weight participants but increased within 90–120 min in participants with obesity. Sham-fed sucralose similarly decreased insulin concentrations within 60 min of the OGTT in both weight groups. Sucralose ingested (but not sham-fed) increased SI in normal-weight participants by 52 ± 20% but did not affect SI in participants with obesity. Sucralose did not affect glucose rates of appearance or β-cell function in either weight group. Our data underscore a physiological role for taste perception in postprandial glucose responses, suggesting sweeteners should be consumed in moderation.
Total Usual Micronutrient Intakes Compared to the Dietary Reference Intakes among U.S. Adults by Food Security Status
Authors: Cowan Alexandra E. , Jun Shinyoung , Tooze Janet A. , Eicher-Miller Heather A. , Dodd Kevin W. , Gahche Jaime J. , Guenther Patricia M. , Dwyer Johanna T. , Potischman Nancy , Bhadra Anindya , Bailey Regan L.
Published: December 2019

This study examined total usual micronutrient intakes from foods, beverages, and dietary supplements (DS) compared to the Dietary Reference Intakes among U.S. adults (≥19 years) by sex and food security status using NHANES 2011–2014 data (n = 9954). DS data were collected via an in-home interview; the NCI method was used to estimate distributions of total usual intakes from two 24 h recalls for food and beverages, after which DS were added. Food security status was categorized using the USDA Household Food Security Survey Module. Adults living in food insecure households had a higher prevalence of risk of inadequacy among both men and women for magnesium, potassium, vitamins A, B6, B12, C, D, E, and K; similar findings were apparent for phosphorous, selenium, and zinc in men alone. Meanwhile, no differences in the prevalence of risk for inadequacy were observed for calcium, iron (examined in men only), choline, or folate by food security status. Some DS users, especially food secure adults, had total usual intakes that exceeded the Tolerable Upper Intake Level (UL) for folic acid, vitamin D, calcium, and iron. In conclusion, while DS can be helpful in meeting nutrient requirements for adults for some micronutrients, potential excess may also be of concern for certain micronutrients among supplement users. In general, food insecure adults have higher risk for micronutrient inadequacy than food secure adults.