bluuebunny/crossref_metadata_2025 huggingface dataset:
The Microstructure and Properties of an Al-Mg-0.3Sc Alloy Deposited by Wire Arc Additive Manufacturing
Authors: Ren Lingling , Gu Huimin , Wang Wei , Wang Shuai , Li Chengde , Wang Zhenbiao , Zhai Yuchun , Ma Peihua
Published: March 2020

Al-Mg alloys can reach medium strength without a solid solution and quenching treatment, thereby avoiding product distortion caused by quenching, which has attracted the attention of wire arc additive manufacturing (WAAM) researchers. However, the mechanical properties of the WAAM Al-Mg alloy deposits obtained so far are poor. Herein, we describe the preparation of Al-Mg-0.3Sc alloy deposits by WAAM and detail the pores, microstructure, and mechanical properties of the alloy produced in this manner. The results showed that the number and sizes of the pores in WAAM Al-Mg-0.3Sc alloy deposits were equivalent to those in Al-Mg alloy deposits without Sc. The rapid cooling characteristics of the WAAM process make the precipitation morphology, size, and distribution of the primary and secondary Al3Sc phases unique and effectively improve the mechanical properties of the deposit. A primary Al3Sc phase less than 3 μm in size was found to precipitate from the WAAM Al-Mg-0.3Sc alloy deposits. The primary Al3Sc phase refines grains, changes the segregated β(Mg2Al3) phase morphology, and ensures that the mechanical properties of horizontal and vertical samples of the deposits are uniform. After heat treatment at 350 °C for 1 h, the WAAM Al-Mg-0.3Sc alloy deposits precipitated a secondary Al3Sc phase, which was spherical (diameter about 20 nm) and had high dispersity. This phase blocks dislocations and subgrain boundaries, causes a noticeable strengthening effect, and further improves the mechanical properties of the deposits, up to a horizontal samples tensile strength of 415 MPa, a yield strength of 279 MPa, and an elongation of 18.5%, a vertical samples tensile strength of 411 MPa, a yield strength of 279 MPa, and an elongation of 14.5%. This Al-Mg-Sc alloy is expected to be widely used in the WAAM field.
Society, Materials, and the Environment: The Case of Steel
Authors: Birat Jean-Pierre
Published: March 2020

This paper reviews the relationship between the production of steel and the environment as it stands today. It deals with raw material issues (availability, scarcity), energy resources, and generation of by-products, i.e., the circular economy, the anthropogenic iron mine, and the energy transition. The paper also deals with emissions to air (dust, Particulate Matter, heavy metals, Persistant Organics Pollutants), water, and soil, i.e., with toxicity, ecotoxicity, epidemiology, and health issues, but also greenhouse gas emissions, i.e., climate change. The loss of biodiversity is also mentioned. All these topics are analyzed with historical hindsight and the present understanding of their physics and chemistry is discussed, stressing areas where knowledge is still lacking. In the face of all these issues, technological solutions were sought to alleviate their effects: many areas are presently satisfactorily handled (the circular economy—a historical’ practice in the case of steel, energy conservation, air/water/soil emissions) and in line with present environmental regulations; on the other hand, there are important hanging issues, such as the generation of mine tailings (and tailings dam failures), the emissions of greenhouse gases (the steel industry plans to become carbon-neutral by 2050, at least in the EU), and the emission of fine PM, which WHO correlates with premature deaths. Moreover, present regulatory levels of emissions will necessarily become much stricter.
Complete Genome and Plasmids Sequences of a Clinical Proteus mirabilis Isolate Producing Plasmid Mediated NDM-1 From Italy
Authors: Bitar Ibrahim , Mattioni Marchetti Vittoria , Mercato Alessandra , Nucleo Elisabetta , Anesi Adriano , Bracco Silvia , Rognoni Vanina , Hrabak Jaroslav , Migliavacca Roberta
Published: March 2020

Background: The spread of carbapenemase genes, such as blaNDM-1, in Proteus mirabilis poses a public health threat. The aim of the study was to characterize the genome and plasmids sequences of an NDM-1-positive strain (IBCRE14), which was isolated in 2019 from a catheterized patient hospitalized in Italy. Methods: Whole genome sequencing (WGS) of IBCRE14 was performed on extracted genomic DNA using Sequel I platform. Genome assembly was performed using “Microbial Assembly”. Genomic analysis was conducted by uploading the contigs to ResFinder and PlasmidFinder databases from the Center for Genomic Epidemiology. Results: IBCRE14 had a genome size of 4,018,329 bp and harboured genes coding for resistance to aminoglycosides (aadA1), phenicol (cat), tetracycline (tetJ), and trimethoprim (dfrA1). A large plasmid (pIB_NDM_1) harboured antibiotic resistance genes against sulphonamide (sul1), trimethoprim (dfrA14), tetracycline (tetB), rifampicin (arr-2), aminoglycosides (aadA1, aph3-VI), and beta-lactams (blaOXA-10, blaNDM-1). Furthermore, a small plasmid (pIB_COL3M) harboured a qnrD1 gene coding for quinolone resistance. Conclusion: The ability to conjugate and the presence of a composite antibiotic resistance island suggests that pIB_NDM_1 could both acquire more resistance genes and easily disseminate. To our knowledge, this is the first report on an untypable plasmid harbouring blaNDM-1 in P. mirabilis, in Italy.
Evidence of Microdochium Fungi Associated with Cereal Grains in Russia
Authors: Gagkaeva Tatiana Yu. , Orina Aleksandra S. , Gavrilova Olga P. , Gogina Nadezhda N.
Published: March 2020

In total, 46 Microdochium strains from five different geographic regions of Russia were explored with respect to genetic diversity, morphology, and secondary metabolites. Based on the results of PCR, 59% and 28% of the strains were identified as M. nivale and M. majus, respectively. As a result of sequencing four genome regions, namely ITS, LSU, BTUB, and RPB2 (2778 bp), five genetically and phenotypically similar strains from Western Siberia were identified as M. seminicola, which, according to our findings, is the prevalent Microdochium species in this territory. This is the first record of M. seminicola in Russia. Attempts were made to distinguish between Microdochium species and to identify species-specific morphological characteristics in the anamorph and teleomorph stages and physiological properties. We examined the occurrence frequency of conidia with different numbers of septa in the strains of Microdochium. The predominance of three-septate macroconidia in M. majus was higher than that in M. nivale and typically exceeded 60% occurrence. Most M. majus and M. nivale strains formed walled protoperithecia on wheat stems. Only three strains of M. majus and one strain each of M. nivale and M. seminicola produced mature perithecia. The growth rate of M. seminicola strains was significantly lower on agar media at 5–25 °C than those of M. majus and M. nivale strains. Multimycotoxin analysis by HPLC-MS/MS revealed that the strains of three Microdochium species did not produce any toxic metabolites.
Hydrothermal Chromitites from the Oman Ophiolite: The Role of Water in Chromitite Genesis
Authors: Arai Shoji , Miura Makoto , Tamura Akihiro , Akizawa Norikatsu , Ishikawa Akira
Published: March 2020

The role of water-rich solutions in the formation of chromitites has been the matter of controversy. We found small chromite concentrations (chromitites) in diopsidites, precipitated from high-temperature hydrothermal fluids, in the mantle to the crust of the Oman ophiolite. Here, we present petrologic characteristics of the hydrothermal chromitites to understand their genesis. In the chromitites, the chromite is associated with uvarovite in the crust and diopside + grossular in the mantle. They are discriminated from the magmatic podiform chromitite by dominance of the Ca-Al silicates in the matrix. The fluids responsible for chromite precipitation are possibly saline, being derived from the seawater circulated into the mantle through the crust. The saline fluids precipitate chromite to form chromite upon decompression and cooling, and transport platinum-group elements (especially Pt and Pd). The fluids obtain Ca and Al from the crustal rocks and Cr from the mantle rocks during circulation. Saline fluids are also supplied from the slab to the mantle wedge, and can metasomatically precipitate chromite and pyroxenes within peridotites. They re-distribute Cr and chromite in peridotites along with circulation of saline fluids in the mantle wedge.
Jianite: Massive Dunite Solely Made of Virtually Pure Forsterite from Ji’an County, Jilin Province, Northeast China
Authors: Wang Yuwei , He Mingyue , Yan Wei , Yang Mei , Liu Xi
Published: March 2020

A rare massive yellowish-green serpentinized dunite, covering a minimum area up to ~50 m2, has been found in Ji’an County, Jilin Province, Northeast China. It contains primary olivine and secondary serpentine (antigorite) and brucite. Other primary minerals like orthopyroxene, clinopyroxene, and aluminum-rich phase (such as garnet, spinel, and plagioclase), frequently appearing in ultramafic rocks, have not been identified. The olivine is essentially pure forsterite, with an Mg# (100 × Mg/(Mg + Fe)) of ~99.6–99.7. Due to these distinct features, we especially name the protolith of this dunite as jianite (集安岩). The forsterite grains range up to ~2 mm, show clear equilibrium textures such as nearly straight grain boundaries and ~120° dihedral angles at their triple junctions, and display no intragranular or intergranular composition variations. They are extensively ruptured and hydrated (i.e., serpentinized), with the fractures (and the grain boundaries as well) filled by fine-grained antigorite (ideally Mg6(Si4O10)(OH)8) and brucite (ideally Mg(OH)2). These secondary phases are also extremely poor in Fe, indicating a good chemical equilibrium with the forsterite. The serpentinization reaction may have proceeded as forsterite + fluid = antigorite + brucite at temperatures of ~425(25) °C and at relatively low but undetermined pressures. The fluid was likely a B-rich, but Si-poor dilute aqueous fluid, as implied by the trace element characteristics and water-related infrared features of the forsterites in equilibrium. The petrogenesis of the jianite is presently unclear.
Total Synthesis of (–)-Anaferine: A Further Ramification in a Diversity-Oriented Approach
Authors: Bonandi Elisa , Tedesco Giada , Perdicchia Dario , Passarella Daniele
Published: March 2020

The piperidine ring is a widespread motif in several natural bioactive alkaloids of both vegetal and marine origin. In the last years, a diversity-oriented synthetic (DOS) approach, aimed at the generation of a library of piperidine-based derivatives, was developed in our research group, employing commercially available 2-piperidine ethanol as a versatile precursor. Here, we report the exploration of another ramification of our DOS approach, that led us to the stereoselective total synthesis of (–)-anaferine, a bis-piperidine alkaloid present in Withania somnifera extract. This natural product was obtained in 9% overall yield over 13 steps, starting from a key homoallylic alcohol previously synthesised in our laboratory. Therefore, the collection of piperidine-derivatives accessible from 2-piperidine ethanol was enriched with a new, diverse scaffold.
Silver Nanoparticles Stimulates Spermatogenesis Impairments and Hematological Alterations in Testis and Epididymis of Male Rats
Authors: Olugbodi Janet , David Oladipupo , Oketa Ene , Lawal Bashir , Okoli Bamidele , Mtunzi Fanyana
Published: March 2020

The potential pharmaceutical application of nanoparticles has led to the toxicity within the male reproductive system. In the present study, the effects of silver nanoparticles (Ag-NPs) on hematological parameters, free radical generation, antioxidant system, sperm parameters, and organ histo-morphometry in male rats were investigated. Ag-NPs were produced by the reduction of silver ions, while the formation of which was monitored by UV–visible spectrophotometry. Zeta potential, transmission, and scanning electron microscopies were applied for the characterization of AgNPs. A total of 30 rats were divided into 6 groups and were sub-dermally exposed to Ag-NPs at the dosage of 0 (control), 10, and 50 mg/kg bodyweight (bw) doses for either 7 or 28 days. Ag-NP administration altered hematological indices and caused dose-dependent decreases in sperm motility, velocity, kinematic parameters, concentrations of luteinizing hormone, follicle-stimulating hormone, and testosterone. In the epididymis and testis, the concentrations of malondialdehyde and peroxide increases while superoxide dismutase, catalase, reduced glutathione, and total thiol group decreases. These findings suggest that Ag-NP triggered hormonal imbalance and induce oxidative stress in testis and epididymis; which negatively affect sperm parameters of male rats.
Filled Carbon Nanotubes as Anode Materials for Lithium-Ion Batteries
Authors: Thauer Elisa , Ottmann Alexander , Schneider Philip , Möller Lucas , Deeg Lukas , Zeus Rouven , Wilhelmi Florian , Schlestein Lucas , Neef Christoph , Ghunaim Rasha , Gellesch Markus , Nowka Christian , Scholz Maik , Haft Marcel , Wurmehl Sabine , Wenelska Karolina , Mijowska Ewa , Kapoor Aakanksha , Bajpai Ashna , Hampel Silke , Klingeler Rüdiger
Published: March 2020

Downsizing well-established materials to the nanoscale is a key route to novel functionalities, in particular if different functionalities are merged in hybrid nanomaterials. Hybrid carbon-based hierarchical nanostructures are particularly promising for electrochemical energy storage since they combine benefits of nanosize effects, enhanced electrical conductivity and integrity of bulk materials. We show that endohedral multiwalled carbon nanotubes (CNT) encapsulating high-capacity (here: conversion and alloying) electrode materials have a high potential for use in anode materials for lithium-ion batteries (LIB). There are two essential characteristics of filled CNT relevant for application in electrochemical energy storage: (1) rigid hollow cavities of the CNT provide upper limits for nanoparticles in their inner cavities which are both separated from the fillings of other CNT and protected against degradation. In particular, the CNT shells resist strong volume changes of encapsulates in response to electrochemical cycling, which in conventional conversion and alloying materials hinders application in energy storage devices. (2) Carbon mantles ensure electrical contact to the active material as they are unaffected by potential cracks of the encapsulate and form a stable conductive network in the electrode compound. Our studies confirm that encapsulates are electrochemically active and can achieve full theoretical reversible capacity. The results imply that encapsulating nanostructures inside CNT can provide a route to new high-performance nanocomposite anode materials for LIB.
Investigation of the Absorption of Nanosized lamotrigine Containing Nasal Powder via the Nasal Cavity
Authors: Ambrus Rita , Gieszinger Péter , Gáspár Róbert , Sztojkov-Ivanov Anita , Ducza Eszter , Márki Árpád , Janáky Tamás , Tömösi Ferenc , Kecskeméti Gábor , Szabó-Révész Piroska , Bartos Csilla
Published: March 2020

Nasal drug delivery has become a popular research field in the last years. This is not surprising since the nose possesses unique anatomical and physical properties. Via the nasal mucosa local, systemic, and directly central nerve systemic (CNS) effect is achievable. Powders have favorable physicochemical properties over liquid formulations. Lamotrigine (LAM) is an antiepileptic agent with a relatively mild side effect spectrum, but only available in tablet form on market. Reducing the particle size to the nano range can affect the bioavailability of pharmaceutical products. The aim of this article was to continue the work started, compare the in vitro properties of a nanonized lamotrigine containing nasal powder (nanoLAMpowder) and its physical mixture (PM) that were prepared by dry milling. Moreover, to study their trans-epithelial absorption to reach the blood and target the brain by axonal transport. Due to the dry milling technique, the particle size of LAM, their surface and also their structure changed that led to higher in vitro dissolution and permeability rate. The results of the in vivo tests showed that the axonal transport of the drug was assumable by both intranasal formulations because the drug was present in the brain within a really short time, but the LAM from the nanoLAMpowder liberated even faster.
Convection-Induced vs. Microwave Radiation-Induced in situ Drug Amorphization
Authors: Hempel Nele-Johanna , Knopp Matthias M. , Berthelsen Ragna , Löbmann Korbinian
Published: March 2020

The aim of the study was to investigate the suitability of a convection oven to induce in situ amorphization. The study was conducted using microwave radiation-induced in situ amorphization as reference, as it has recently been shown to enable the preparation of a fully (100%) amorphous solid dispersion of celecoxib (CCX) in polyvinylpyrrolidone (PVP) after 10 min of continuous microwaving. For comparison, the experimental setup of the microwave-induced method was mimicked for the convection-induced method. Compacts containing crystalline CCX and PVP were prepared and either pre-conditioned at 75% relative humidity or kept dry to investigate the effect of sorbed water on the amorphization kinetics. Subsequently, the compacts were heated for 5, 10, 15, 20, or 30 min in the convection oven at 100 °C. The degree of amorphization of CCX in the compacts was subsequently quantified using transmission Raman spectroscopy. Using the convection oven, the maximum degree of amorphization achieved was 96.1% ± 2.1% (n = 3) for the conditioned compacts after 30 min of heating and 14.3% ± 1.4% (n = 3) for the dry compacts after 20 min of heating, respectively. Based on the results from the convection and the microwave oven, it was found that the sorbed water acts as a plasticizer in the conditioned compacts (i.e., increasing molecular mobility), which is advantageous for in situ amorphization in both methods. Since the underlying mechanism of heating between the convection oven and microwave oven differs, it was found that convection-induced in situ amorphization is inferior to microwave radiation-induced in situ amorphization in terms of amorphization kinetics with the present experimental setup.
Chemical Speciation of Aluminum in Wine by LC–ICP–MS
Authors: Karaś Katarzyna , Zioła-Frankowska Anetta , Frankowski Marcin
Published: March 2020

Aluminum is very common in the natural environment and in everyday human life. We are living in the “aluminum age.” Its average daily intake should not exceed a few mg/day. Unfortunately, despite the growing number of alarming data about the toxicity of this element, human exposure to aluminum is constantly increasing. The toxicity and bioavailability of aluminum depends mainly on the form in which it occurs. The main variables conditioning the form are the concentration, the type, the molar ratio of aluminum to ligand, the pH value, and the temperature. This research presents a new method for speciation analysis of both inorganic and organic aluminum complexes in model solutions by LC–ICP–MS. Different solutions with variable pH values and different Al/ligand molar ratios (fluorides and several organic ligands, e.g., citrates and oxalates ions) were used. The chromatographic separation process was carried out based on isocratic and gradient elution, using a cation exchange analytical column. All determinations have been confirmed based on chemical equilibrium modeling programs. The new developed method was successfully applied for the first time in speciation analysis of real samples: white and red wine.
Optimized Bioproduction of Itaconic and Fumaric Acids Based on Solid-State Fermentation of Lignocellulosic Biomass
Authors: Jiménez-Quero Amparo , Pollet Eric , Avérous Luc , Phalip Vincent
Published: March 2020

The bioproduction of high-value chemicals such as itaconic and fumaric acids (IA and FA, respectively) from renewable resources via solid-state fermentation (SSF) represents an alternative to the current bioprocesses of submerged fermentation using refined sugars. Both acids are excellent platform chemicals with a wide range of applications in different market, such as plastics, coating, or cosmetics. The use of lignocellulosic biomass instead of food resources (starch or grains) in the frame of a sustainable development for IA and FA bioproduction is of prime importance. Filamentous fungi, especially belonging to the Aspergillus genus, have shown a great capacity to produce these organic dicarboxylic acids. This study attempts to develop and optimize the SSF conditions with lignocellulosic biomasses using A. terreus and A. oryzae to produce IA and FA. First, a kinetic study of SSF was performed with non-food resources (wheat bran and corn cobs) and a panel of pH and moisture conditions was studied during fermentation. Next, a new process using an enzymatic cocktail simultaneously with SSF was investigated in order to facilitate the use of the biomass as microbial substrate. Finally, a large-scale fermentation process was developed for SSF using corn cobs with A. oryzae; this specific condition showed the best yield in acid production. The yields achieved were 0.05 mg of IA and 0.16 mg of FA per gram of biomass after 48 h. These values currently represent the highest reported productions for SSF from raw lignocellulosic biomass.
Interactive Effect of Melatonin and UV-C on Phenylpropanoid Metabolite Production and Antioxidant Potential in Callus Cultures of Purple Basil (Ocimum basilicum L. var purpurascens)
Authors: Nazir Munazza , Asad Ullah Muhammad , Mumtaz Sadia , Siddiquah Aisha , Shah Muzamil , Drouet Samantha , Hano Christophe , Abbasi Bilal Haider
Published: March 2020

The present study evaluated the interactive effect of melatonin and UV-C on phenylpropanoid metabolites profile and antioxidant potential of Ocimum basilicum L. Callus was treated with varying concentrations of melatonin and UV-C radiations for different time durations, either alone and/or in combination. Individual treatments of both UV-C and melatonin proved to be more effective than combine treatments. Results indicated that UV-C (10 min) exposure increased rosmarinic acid (134.5 mg/g dry weight (DW)), which was 2.3-fold greater than control. Chichoric acid (51.52 mg/g DW) and anthocyanin (cyanide 0.50 mg/g DW) were almost 4.1-fold, while peonidin was found 2.7-fold higher in UV-C (50 min) exposure. In the case of melatonin, 1.0 mg/L concentrations showed maximum rosmarinic acid (79.4 mg/g DW) accumulation; i.e., 1.4-fold more, as compared to the control. However, 2 mg/L melatonin accumulate chichoric acid (39.99 mg/g DW) and anthocyanin (cyanide: 0.45 mg/g DW and peonidin: 0.22 mg/g DW); i.e., 3.2, 3.7 and 2.0-fold increase, as compared to the control, respectively. On the other hand, melatonin-combined treatment (melatonin (Mel) (4 mg/L) + UV-C (20 min)) was proved to be effective in caffeic acid elicitation, which was 1.9-fold greater than the control. Furthermore, antioxidant potential was evaluated by both in vitro (DPPH, ABTS and FRAP assays) and in cellulo methods. Maximum in vitro antioxidant activity (DPPH: 90.6% and ABTS: 1909.5 µM) was observed for UV-C (50 min)-treated cultures. The highest in vitro antioxidant activity measured with the ABTS assay as compared to the FRAP assay, suggesting the main contribution of antioxidants from basil callus extracts acting through a hydrogen atom transfer (HAT) over an electron transfer (ET)-based mechanism. Cellular antioxidant assay was evaluated by production of ROS/RNS species using yeast cell cultures and further confirmed the protective action of the corresponding callus extracts against oxidative stress. Overall, both melatonin and UV-C are here proved to be effective elicitors since a positive correlation between the induced production of phenolic compounds, and in cellulo antioxidant action of basil callus extracts were observed.
Activation of JNK and p38 in MCF-7 Cells and the In Vitro Anticancer Activity of Alnus hirsuta Extract
Authors: Ryu Mina , Sung Chung Ki , Im Young Jun , Chun ChangJu
Published: March 2020

JNK and p38 are important mitogen-activated protein kinases (MAPKs) that respond to stress stimuli. The stress-activated MAPKs associated with apoptotic cell death play vital roles in mammalian cells. Alnus hirsuta, which contains abundant diarylheptanoids derivatives, is a valuable medicinal plant. The CHCl3 extract (AHC) containing platyphyllenone (1) and platyphyllone (3) as main compounds showed in vitro anticancer effects. We report the biological activities of A. hirsuta extract associated with the regulation of apoptosis and JNK and p38 in MCF-7 breast cancer cells. Levels of phospho-JNK and phospho-p38 by AHC treatment were evaluated by enzyme-linked immunosorbent assay (ELISA). ROS production, apoptotic effect, and DNA contents of the cells were measured by flow cytometry. The two diarylheptanoids 1 and 3 and the AHC extract exhibited cytotoxic effects on MCF-7 cells in MTT assay, with IC50 values of 18.1, 46.9, 260.0 μg/mL, respectively. AHC induced ROS generation and elevated the endogenous levels of phospho-JNK and phospho-p38. AHC resulted in apoptosis and cell cycle arrest. We suggest that the antitumor effect of A. hirsuta extract is achieved by apoptosis promotion and cell cycle arrest mediated by the activation of JNK and p38 signaling pathway via ROS generation.
Volatile Organic Compounds Profile in White Sturgeon (Acipenser transmontanus) Caviar at Different Stages of Ripening by Multiple Headspace Solid Phase Microextraction
Authors: Lopez Annalaura , Vasconi Mauro , Bellagamba Federica , Mentasti Tiziana , Pazzaglia Mario , Moretti Vittorio Maria
Published: March 2020

Caviar is considered a delicacy by luxury product consumers, but few data are available about its flavour chemistry to date. In this study, a multiple headspace-solid phase microextraction (MHS-SPME) followed by gas chromatography and mass spectrometry (GC-MS) approach was developed and employed to identify and quantitatively estimate key volatile organic compounds (VOCs) representative in white sturgeon (A. transmontanus) caviar at five different stages of ripening: raw eggs (t0), after 60 days (t1), 120 days (t2), 180 days (t3), and 240 days (t4) of ripening. The method showed the ability to detect and estimate the quantity of 25 flavour compounds, without any severe alteration of the matrix before the analysis and in a short time. The VOCs detected as representative in caviar samples were primarily aldehydes and alcohols, already well known as responsible of fresh fish and seafood flavours, and mainly deriving from lipid peroxidation processes and microbial activity against lipids and amino acids. We found a significant (p < 0.01) increase in the amount of total aldehydes within t0 (29.64 ng/g) and t4 (121.96 ng/g); moreover, an interesting, great arise of 3-hydroxy-2-butanone at the final stage of storage (48.17 ng/g) was recorded. Alcohols were not detected in raw eggs (t0) and then a decrease from t1 (17.77 ng/g) to t4 (10.18 ng/g) was recorded in their amount, with no statistical significance.
Novel 2,4-Disubstituted-1,3-Thiazole Derivatives: Synthesis, Anti-Candida Activity Evaluation and Interaction with Bovine Serum Albumine
Authors: Pricopie Andreea-Iulia , Focșan Monica , Ionuț Ioana , Marc Gabriel , Vlase Laurian , Găină Luiza-Ioana , Vodnar Dan C. , Simon Elemer , Barta Gabriel , Pîrnău Adrian , Oniga Ovidiu
Published: March 2020

Herein we report the synthesis of two novel series of 1,3-thiazole derivatives having a lipophilic C4-substituent on account of the increasing need for novel and versatile antifungal drugs for the treatment of resistant Candida sp.-based infections. Following their structural characterization, the anti-Candida activity was evaluated in vitro while using the broth microdilution method. Three compounds exhibited lower Minimum Inhibitory Concentration (MIC) values when compared to fluconazole, being used as the reference antifungal drug. An in silico molecular docking study was subsequently carried out in order to gain more insight into the antifungal mechanism of action, while using lanosterol-C14α-demethylase as the target enzyme. Fluorescence microscopy was employed to further investigate the cellular target of the most promising molecule, with the obtained results confirming its damaging effect towards the fungal cell membrane integrity. Finally, the distribution and the pharmacological potential in vivo of the novel thiazole derivatives was investigated through the study of their binding interaction with bovine serum albumin, while using fluorescence spectroscopy.
Inkjet-Printed Molybdenum Disulfide and Nitrogen-Doped Graphene Active Layer High On/Off Ratio Transistors
Authors: Jewel Mohi Uddin , Monne Mahmuda Akter , Mishra Bhagyashree , Chen Maggie Yihong
Published: March 2020

Fully inkjet-printed device fabrication is a crucial goal to enable large-area printed electronics. The limited number of two-dimensional (2D) material inks, the bottom-gated structures, and the low current on/off ratio of thin-film transistors (TFTs) has impeded the practical applications of the printed 2D material TFTs. In the search for TFTs with high current ratios, we introduce a stable and efficient method of nitrogen-doped graphene (NDG) ink preparation for inkjet printing by liquid-phase exfoliation. The NDG thin film is print-stacked with molybdenum disulfide (MoS2) by multiple printing passes to construct a MoS2–NDG stack. We demonstrate top-gated fully inkjet-printed MoS2–NDG transistors with silver drain, source, and gate electrodes, and a barium titanate (BaTiO3) dielectric. A 100% inkjet-printed MoS2–NDG vertical 2D active heterostructure layer transistor with a current on/off ratio of 1200 is exhibited. The results may lead towards the development of all-printed 2D material-based transistor switches.
Metabolite Profiling and Distribution of Militarine in Rats Using UPLC-Q-TOF-MS/MS
Authors: Li Limin , Hao Bin , Zhang Yulong , Ji Shen , Chou Guixin
Published: March 2020

Militarine, a natural glucosyloxybenzyl 2-isobutylmalate, isolated from Bletilla striata, was reported with a prominent neuroprotective effect recently. The limited information on the metabolism of militarine impedes comprehension of its biological actions and pharmacology. This study aimed to investigate the metabolite profile and the distribution of militarine in vivo, which help to clarify the action mechanism further. A total of 71 metabolites (57 new metabolites) in rats were identified with a systematic method by ultra-high-performance liquid chromatography combined with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS). The proposed metabolic pathways of militarine include hydrolyzation, oxidation, glycosylation, esterification, sulfation, glucuronidation and glycine conjugation. Militarine and its metabolites were distributed extensively in the treated rats. Notably, six metabolites of militarine were identified in cerebrospinal fluid (CSF), which were highly consistent with the metabolites after oral administration of gastrodin in rats. Among the metabolites in CSF, five of them were not reported before. It is the first systematic metabolic study of militarine in vivo, which is very helpful for better comprehension of the functions and the central nervous system (CNS) bioactivities of militarine. The findings will also provide an essential reference for the metabolism of other glucosylated benzyl esters of succinic, malic, tartaric and citric acids.
Cu(I)- and Pd(0)-Catalyzed Arylation of Oxadiamines with Fluorinated Halogenobenzenes: Comparison of Efficiency
Authors: Lyakhovich Maria S. , Averin Alexei D. , Grigorova Olga K. , Roznyatovsky Vitaly A. , Maloshitskaya Olga A. , Beletskaya Irina P.
Published: March 2020

The comparison of the possibilities of Pd- and Cu-catalyzed amination reactions using fluorine-containing aryl bromides and iodides with oxadiamines to produce their N,N′-diaryl derivatives was carried out. The dependence of the reactivity of the aryl halides on the nature of the substituents and halogen atoms as well as on the structure of oxadiamines was investigated. It was found that the copper-catalyzed reactions were somewhat comparable with the palladium-mediated processes in the majority of cases, especially in the reactions with para-fluorine- and para-(trifluoromethyl)-substituted aryl halides, although the necessity to use aryl iodides in the Cu(I)-catalyzed amination was obvious. Pd catalysis was found inevitable for the successful amination of more sterically hindered ortho-(trifluoromethyl)aryl bromides.
Unveiling the Different Chemical Reactivity of Diphenyl Nitrilimine and Phenyl Nitrile Oxide in [3+2] Cycloaddition Reactions with (R)-Carvone through the Molecular Electron Density Theory
Authors: Ríos-Gutiérrez Mar , Domingo Luis R. , Esseffar M’hamed , Oubella Ali , Ait Itto My Youssef
Published: March 2020

The [3+2] cycloaddition (32CA) reactions of diphenyl nitrilimine and phenyl nitrile oxide with (R)-carvone have been studied within the Molecular Electron Density Theory (MEDT). Electron localisation function (ELF) analysis of these three-atom-components (TACs) permits its characterisation as carbenoid and zwitterionic TACs, thus having a different reactivity. The analysis of the conceptual Density Functional Theory (DFT) indices accounts for the very low polar character of these 32CA reactions, while analysis of the DFT energies accounts for the opposite chemoselectivity experimentally observed. Topological analysis of the ELF along the single bond formation makes it possible to characterise the mechanisms of these 32CA reactions as cb- and zw-type. The present MEDT study supports the proposed classification of 32CA reactions into pdr-, pmr-, cb- and zw-type, thus asserting MEDT as the theory able to explain chemical reactivity in Organic Chemistry.
A New NT4 Peptide-Based Drug Delivery System for Cancer Treatment
Authors: Brunetti Jlenia , Piantini Sara , Fragai Marco , Scali Silvia , Cipriani Giulia , Depau Lorenzo , Pini Alessandro , Falciani Chiara , Menichetti Stefano , Bracci Luisa
Published: March 2020

The development of selective tumor targeting agents to deliver multiple units of chemotherapy drugs to cancer tissue would improve treatment efficacy and greatly advance progress in cancer therapy. Here we report a new drug delivery system based on a tetrabranched peptide known as NT4, which is a promising cancer theranostic by virtue of its high cancer selectivity. We developed NT4 directly conjugated with one, two, or three units of paclitaxel and an NT4-based nanosystem, using NIR-emitting quantum dots, loaded with the NT4 tumor-targeting agent and conjugated with paclitaxel, to obtain a NT4-QD-PTX nanodevice designed to simultaneously detect and kill tumor cells. The selective binding and in vitro cytotoxicity of NT4-QD-PTX were higher than for unlabeled QD-PTX when tested on the human colon adenocarcinoma cell line HT-29. NT4-QD-PTX tumor-targeted nanoparticles can be considered promising for early tumor detection and for the development of effective treatments combining simultaneous therapy and diagnosis.
Salvianolic Acid A Ameliorates Early-Stage Atherosclerosis Development by Inhibiting NLRP3 Inflammasome Activation in Zucker Diabetic Fatty Rats
Authors: Ma Quanxin , Yang Qinqin , Chen Jiaojiao , Yu Chen , Zhang Lizong , Zhou Weimin , Chen Minli
Published: March 2020

Salvianolic acid A (SAA), an important bioactive polyphenolic acid found in Salvia miltiorrhiza Bunge, may be used for treating metabolic disorders due to its anti-inflammatory activity. Since chronic inflammation plays an important role in type 2 diabetes mellitus (T2DM) complicated with atherosclerosis (AS), SAA may have beneficial effects on AS. Here, we evaluated the effects of SAA on metabolic disorders in male Zucker diabetic fatty (ZDF) rats induced by a high-fat diet and Vitamin D3 injections. Compared with the model group, the SAA high dosage (1 mg/kg) group exhibited decreased hemoglobin A1C levels but unchanged blood glucose levels. The disrupted lipid profiles were ameliorated by SAA, with significantly decreased levels of blood cholesterol, LDL-C and triglyceride. The protective effects of SAA against early AS were further confirmed by histopathological examination of aortic tissues. In addition, we observed that SAA decreased serum hs-CRP levels and suppressed the activation of NLRP3 inflammasome and NF-κB signaling in aortic tissues of ZDF rats. Collectively, our results demonstrate the potential of SAA to alleviate AS and T2DM in ZDF rats as a result of its anti-inflammatory effects.
Variation in Terpene Profiles of Thymus vulgaris in Water Deficit Stress Response
Authors: Mahdavi Atiyeh , Moradi Parviz , Mastinu Andrea
Published: March 2020

Thyme (Thymus spp.) volatiles predominantly consisting of monoterpenes and sesquiterpenes, serve as antimicrobial, antiseptic and antioxidant in phytomedicine. They also play a key role in plants as secondary metabolites via their potential role against herbivores, attracting pollinators and abiotic stress tolerance. Plant volatiles are affected by different environmental factors including drought. Here, the effect of prolonged water deficit stress on volatile composition was studied on the sensitive and tolerant thyme plant cultivars (T. vulgaris Var. Wagner and T. vulgaris Var. Varico3, respectively). Volatile sampling along with morpho–physiological parameters such as soil moisture, water potential, shoot dry weight, photosynthetic rate and water content measurements were performed on one-month-old plants subsequent to water withholding at 4-day intervals until the plants wilted. The tolerant and sensitive plants had clearly different responses at physiological and volatile levels. The most stress-induced changes on the plants’ physiological traits occurred in the photosynthetic rates, where the tolerant plants maintained their photosynthesis similar to the control ones until the 8th day of the drought stress period. While the analysis of the volatile compounds (VOCs) of the sensitive thyme plants displayed the same pattern for almost all of them, in the tolerant plants, the comparison of the pattern of changes in the tolerant plants revealed that the changes could be classified into three separate groups. Our experimental and theoretical studies totally revealed that the most determinant compounds involved in drought stress adaptation included α-phellandrene, O-cymene, γ-terpinene and β-caryophyelene. Overall, it can be concluded that in the sensitive plants trade-off between growth and defense, the tolerant ones simultaneously activate their stress response mechanism and continue their growth.
Multidimensional Liquid Chromatography Employing a Graphene Oxide Capillary Column as the First Dimension: Determination of Antidepressant and Antiepileptic Drugs in Urine
Authors: Maciel Edvaldo Vasconcelos Soares , Toffoli Ana Lúcia de , Alves Jussara da Silva , Lanças Fernando Mauro
Published: March 2020

Human mental disorders can be currently classified as one of the most relevant health topics. Including in this are depression and anxiety, which can affect us at any stage of life, causing economic and social problems. The treatments involve cognitive psychotherapy, and mainly the oral intake of pharmaceutical antidepressants. Therefore, the development of analytical methods for monitoring the levels of these drugs in biological fluids is critical. Considering the current demand for sensitive and automated analytical methods, the coupling between liquid chromatography and mass spectrometry, combined with suitable sample preparation, becomes a useful way to improve the analytical results even more. Herein we present an automated multidimensional method based on high-performance liquid chromatography-tandem mass spectrometry using a lab-made, graphene-based capillary extraction column connected to a C8 analytical column to determined five pharmaceutical drugs in urine. A method enhancement was performed by considering the chromatographic separation and the variables of the loading phase, loading time, loading flow, and injection volume. Under optimized conditions, the study reports good linearity with R2 > 0.98, and limits of detection in the range of 0.5–20 µg L−1. Afterward, the method was applied to the direct analysis of ten untreated urine samples, reporting traces of citalopram in one of them. The results suggest that the proposed approach could be a promising alternative that provides direct and fully automated analysis of pharmaceutical drugs in complex biological matrices.
Use of a Pleurotus ostreatus Complex Cell Wall Extract as Elicitor of Plant Defenses: From Greenhouse to Field Trial
Authors: Faugeron-Girard Céline , Gloaguen Vincent , Koçi Rromir , Célérier Julien , Raynaud Anaïs , Moine Charlotte
Published: March 2020

Fungi constitute an abundant source of natural polysaccharides, some of them harboring original structures which can induce responses in mammalian or plant cells. An alkaline extract from the edible mushroom Pleurotus ostreatus has been obtained and called Pleuran complex cell wall extract (CCWE). It consists of a glucan-peptide complex whose components fall in a quite broad range of molecular weights, from 30 to 80 kDa. Pleuran extract has been tested on cultivated plants in laboratory conditions and also during field trial for its capacity to stimulate plant defenses in response to pathogen attack. Following Pleuran CCWE treatment, enhanced levels of various biochemical markers associated with plant responses have been observed, including enzymatic activities (e.g., peroxidase) or expression of some pathogenesis-related genes. In addition, during field experiments, we have noticed significant reductions in disease symptom levels in relation to different plant/pathogen systems (wheat/septoria, vine/mildew). These results confirmed that Pleuran CCWE could be used as an elicitor of plant defenses and could help in reducing pesticide applications against plant pathogens.
Chiral Pyridine-3,5-bis- (L-phenylalaninyl-L-leucinyl) Schiff Base Peptides as Potential Anticancer Agents: Design, Synthesis, and Molecular Docking Studies Targeting Lactate Dehydrogenase-A
Authors: Amr Abd El-Galil E. , Mageid Randa E. Abdel , El-Naggar Mohamed , M. Naglah Ahmed , S. Nossier Eman , Elsayed Elsayed A.
Published: March 2020

A series of branched tetrapeptide Schiff bases 3–6 were designed and synthesized from corresponding tetrapeptide hydrazide 2 as a starting material.In vitroevaluation of the synthesized compounds 4–6 against breast MCF-7 carcinoma cells identified their excellent anticancer potency, with IC50 ranging from 8.12 ± 0.14 to 17.55 ± 0.27 μM in comparison with the references, cisplatin and milaplatin (IC50= 13.34 ± 0.11and 18.43 ± 0.13 μM, respectively). Furthermore, all derivatives demonstrated promising activity upon evaluation of theirin vitroandin vivosuppression of p53 ubiquitination and inhibition assessment for LDHA kinase. Finally, molecular docking studies were performed to predict the possible binding features of the potent derivatives within the ATP pocket of LDHA in an attempt to get a lead for developing a more potent LDHA inhibitor with anti-proliferative potency.
Insecticidal Toxicities of Three Main Constituents Derived from Trachyspermum ammi (L.) Sprague ex Turrill Fruits against the Small Hive Beetles, Aethina tumida Murray
Authors: Bisrat Daniel , Jung Chuleui
Published: March 2020

Small hive beetle (Aethina tumida Murray), indigenous to Africa, has spread to other parts of the world where has become a threat to the honeybee industry. In the present study, insecticidal properties (contact, fumigant, and repellent toxicities) of three main constituents derived from Trachyspermum ammi (L.) Sprague ex Turrill fruits essential oil were evaluated against adult small hive beetles under laboratory conditions. The Hydrodistillation of T. ammi fruits, grown in Ethiopia, yielded a pale yellow essential oil (3.5% v/w) with a strong aromatic odor. Analyses by gas chromatography-mass spectrometry identified twenty-two compounds that accounted for 98.68% of the total essential oil. The essential oil was dominated by monoterpenoids, comprising γ-terpinene (32.72%), p-cymene (27.92%), and thymol (24.36%). The essential oil showed strong contact and fumigation toxicities against the small hive beetle adults, with a LD50 value of 66.64 µg/adult and a LC50 value of 89.03 mg/L air, respectively. Among the main constituents, thymol was the most toxic component found in both contact (LD50 = 41.79 µg/adult) and fumigation (LC50 = 52.66 mg/L air) toxicities. The other two components, γ-terpinene and p-cymene, were less effective in both contact and fumigant toxicities testing. The results showed that T. ammi essential oil and thymol could serve as potential alternatives to synthetic insecticides for the control of small hive beetle adults.
Chemical Compositions and Anti-Skin-Ageing Activities of Origanum vulgare L. Essential Oil from Tropical and Mediterranean Region
Authors: Laothaweerungsawat Natnaree , Sirithunyalug Jakkapan , Chaiyana Wantida
Published: March 2020

Origanum vulgare L. has been used as a culinary ingredient worldwide. This study revealed the cosmeceutical potential of O. vulgare essential oil as a skin-ageing retardant. The O. vulgare essential oil from a highland area of a tropical country (HO), obtained by hydrodistillation was investigated and compared to a commercial oil from the Mediterranean region (CO). Their chemical compositions were investigated by gas chromatography–mass spectrometry. Antioxidant activities were investigated by ferric reducing antioxidant power, 1,1-diphenyl-2-picrylhydrazyl, and ferric thiocyanate assay. Anti-skin-ageing activities were determined by means of collagenase, elastase, and hyaluronidase inhibition. Carvacrol was the major component in both oils, but a higher amount was detected in HO (79.5%) than CO (64.6%). HO possessed comparable radical scavenging activity to CO (IC50 = 1.8 ± 0.8 mg/mL) but significantly higher lipid peroxidation inhibition (38.0 ± 0.8%). Carvacrol was remarked as the major compound responsible for the reducing power of both oils. Interestingly, HO possessed significant superior anti-skin-ageing activity than ascorbic acid (P < 0.01), with inhibition against collagenase, elastase, and hyaluronidase of 92.0 ± 9.7%, 53.1 ± 13.3%, and 16.7 ± 0.3%, at the concentration of 67, 25, and 4 µg/mL, respectively. Since HO possessed comparable anti-hyaluronidase activity to CO and superior anti-collagenase and anti-elastase (P < 0.01), HO was suggested to be used as a natural skin-ageing retardant in a cosmetic industry.