bluuebunny/crossref_metadata_2025 huggingface dataset:
Twinning of Tetrahedrite—OD Approach
Authors: Makovicky Emil
Published: February 2021

The common twinning of tetrahedrite and tennantite can be described as an order–disorder (OD) phenomenon. The unit OD layer is a one-tetrahedron-thick (111) layer composed of six-member rings of tetrahedra, with gaps between them filled with Sb(As) coordination pyramids and triangular-coordinated (Cu, Ag). The stacking sequence of six-member rings is ABCABC, which can also be expressed as a sequence of three consecutive tetrahedron configurations, named α, β, and γ. When the orientation of component tetrahedra is uniform, the α, β, γ, α sequence builds the familiar cage structure of tetrahedrite. However, when the tetrahedra of the β layer are rotated by 180° against those in the underlying α configurations and/or when a rotated α configuration follows after the β configuration (instead of γ), twinning is generated. If repeated, this could generate the ABAB sequence which would modify the structure considerably. If the rest of the structure grows as a regular cubic tetrahedrite structure, the single occurrence of the described defect sequences creates a twin.
New Insights for Gem-Quality Mn-Bearing Diopside-Omphacite, Violane Variety, from Saint Marcel (Val D’Aosta, Italy): Its Trace Elements and Spectroscopic Characterization
Authors: Diella Valeria , Bocchio Rosangela , Caucia Franca , Marinoni Nicoletta , Langone Antonio , Possenti Elena
Published: February 2021

This study proposes new data on the rare pyroxene, variety violane, sampled from its type locality, Praborna manganese deposit, near Saint Marcel (Val d’Aosta, Italy). Violane is very appreciated as a gemstone for its different hues of violet-blue color and is characterized by its diopsidic or omphacitic composition. To assess the possible causes of color, electron-probe microanalysis (EMPA) and laser-ablation inductively coupled plasma mass spectrometry (LA–ICP–MS) were used to establish the chemical composition. Raman and Fourier transform infrared (FTIR) spectroscopy, ideal for the non-destructive analysis, identified the different present phases directly on gemstone. Raman and FTIR spectra highlighted the presence, in the same sample, of diopside and omphacite showing almost inappreciable violet hue difference. The two minerals were easily differentiated by microprobe analyses and showed a compositional heterogeneity not linked to the different colors. The best way to detect the color-causing elements in microcrystalline violanes resulted in the analysis of trace elements and their quantification. An enrichment of Ti and Li characterizes darker violet omphacite and that of V and rare-earth elements (REE) the lilac-lavender or light violet-blue diopside. In general, our results led us to say that the color changes, previously proposed as due to Mn both in divalent and trivalent oxidation state, may be controlled by trace elements or by concentration of minor elements, such as Fe, and their oxidation state. REE patterns showed a negative anomaly of Ce that could be ascribed to the variation of the oxygen chemical potential occurring in the ore. The new data, combined with previous results, may provide new constrains on the processes that generated the Mn-rich deposit of Praborna.
An Application of Simultaneous Stochastic Optimization at a Large Open-Pit Gold Mining Complex under Supply Uncertainty
Authors: LaRoche-Boisvert Mélanie , Dimitrakopoulos Roussos
Published: February 2021

The simultaneous stochastic optimization of mining complexes optimizes various components of the related mineral value chain jointly while considering material supply (geological) uncertainty. As a result, the optimization process capitalizes on the synergies between the components of the system while not only quantifying and considering geological uncertainty, but also producing strategic mine plans, maximizing the net present value. This paper presents an application of simultaneous stochastic optimization at a large gold mining complex. The complex contains three open-pit mines, three stockpiles, a waste dump, and a processing facility. Material hardness management is integrated at the processing facility. The case study generated production schedules for each mineral deposit considered, as well as an overall assessment of the project and related forecasts. It resulted in an 18 year life-of-asset and identified the semi-autogenous grinder (SAG) mill as the bottleneck of the operation.
Silicon-Oxygen Region Infrared and Raman Analysis of Opals: The Effect of Sample Preparation and Measurement Type
Authors: Curtis Neville J. , Gascooke Jason R. , Pring Allan
Published: February 2021

An extensive infrared (IR) spectroscopy study using transmission, specular and diffuse reflectance, and attenuated total reflection (ATR) was undertaken to characterise opal-AG, opal-AN (hyalite), opal-CT and opal-C, focussing on the Si-O fingerprint region (200–1600 cm−1). We show that IR spectroscopy is a viable alternative to X-ray powder diffraction (XRD) as a primary means of classification of opals even when minor levels of impurities are present. Variable angle specular reflectance spectroscopy shows that the three major IR bands of opal are split into transverse optical (TO) and longitudinal optical (LO) components. Previously observed variability in powder ATR is probably linked to the very high refractive index of opals at infrared wavelengths, rather than heterogeneity or particle size effects. An alternative use of ATR using unpowdered samples provides a potential means of non-destructive delineation of play of colour opals into opal-AG or opal-CT gems. We find that there are no special structural features in the infrared spectrum that differentiate opal from silica glasses. Evidence is presented that suggests silanol environments may be responsible for the structural differences between opal-AG, opal-AN and other forms of opaline silica. Complementary studies with Raman spectroscopy, XRD and scanning electron microscopy (SEM) provide evidence of structural trends within the opal-CT type.
Geochemistry of Basalts from Southwest Indian Ridge 64° E: Implications for the Mantle Heterogeneity East of the Melville Transform
Authors: Dong Zhen , Tao Chunhui , Liang Jin , Liao Shili , Li Wei , Zhang Guoyin , Cao Zhimin
Published: February 2021

As one of the regional, magmatic, robust, axial ridge segments along the ultraslow-spreading Southwest Indian Ridge (SWIR), the magmatic process and mantle composition of the axial high relief at 64° E is still unclear. Here, we present major and trace elements and Sr-Nd-Pb isotope data of mid-ocean ridge basalts (MORBs) from 64° E. The basalts show higher contents of Al2O3, SiO2, and Na2O and lower contents of TiO2, CaO, and FeO for a given MgO content, and depletion in heavy rare-earth elements (HREE), enrichment in large-ion lithophile elements, and lower 87Sr/86Sr, 143Nd/144Nd and higher radiogenic Pb isotopes than the depleted MORB mantle (DMM). The high Zr/Nb (24–43) and low Ba/Nb (3.8–7.0) ratios are consistent with typical, normal MORB (N-MORB). Extensive plagioclase fractional crystallization during magma evolution was indicated, while fractionation of olivine and clinopyroxene is not significant, which is consistent with petrographic observations. Incompatible trace elements and isotopic characteristics show that the basaltic melt was formed by the lower partial melting degree of spinel lherzolite than that of segment #27 (i.e., Duanqiao Seamount, 50.5° E), Joseph Mayes Mountain (11.5° E), etc. The samples with a DMM end-member are unevenly mixed with the lower continental crust (LCC)- and the enriched mantle end-member (EM2)-like components, genetically related to the Gondwana breakup and contaminated by upper and lower continental crust (or continental mantle) components.
EXAFS Determination of Clay Minerals in Martian Meteorite Allan Hills 84001 and Its Implication for the Noachian Aqueous Environment
Authors: Nakada Ryoichi , Tanabe Gaku , Kajitani Iori , Usui Tomohiro , Shidare Masashi , Yokoyama Tetsuya
Published: February 2021

The aqueous environment of ancient Mars is of significant interest because of evidence suggesting the presence of a large body of liquid water on the surface at ~4 Ga, which differs significantly from the modern dry and oxic Martian environment. In this study, we examined the Fe-bearing minerals in the 4 Ga Martian meteorite, Alan Hills (ALH) 84001, to reveal the ancient aqueous environment present during the formation of this meteorite. Extended X-ray absorption fine structure (EXAFS) analysis was conducted to determine the Fe species in ALH carbonate and silica glass with a high spatial resolution (~1–2 μm). The μ-EXAFS analysis of ALH carbonate showed that the Fe species in the carbonate were dominated by a magnesite-siderite solid solution. Our analysis suggests the presence of smectite group clay in the carbonate, which is consistent with the results of previous thermochemical modeling. We also found serpentine in the silica glass, indicating the decrease of water after the formation of carbonate, at least locally. The possible allochthonous origin of the hematite in the carbonate suggests a patchy redox environment on the ancient Martian surface.
Raman and Photoluminescence Mapping of Gem Materials
Authors: Eaton-Magaña Sally , Breeding Christopher M. , Palke Aaron C. , Homkrajae Artitaya , Sun Ziyin , McElhenny Garrett
Published: February 2021

Raman and photoluminescence (PL) mapping is a non-destructive method which allows gemologists and scientists to evaluate the spatial distributions of defects within a gem; it can also provide a method to quickly distinguish different species within a composite gem. This article provides a summary of this relatively new technology and its instrumentation. Additionally, we provide a compilation of new data for various applications on several gemstones. Spatial differences within diamonds can be explored using PL mapping, such as radiation stains observed on the rough surface of natural green diamonds. Raman mapping has proven useful in distinguishing between omphacite and jadeite within a composite of these two minerals, identifying various tourmaline species within a heterogeneous mixture, and determining the calcium carbonate polymorphs in pearls. Additionally, it has potential to be useful for country-of-origin determination in blue sapphires and micro-inclusion analysis. As new avenues of research are explored, more applications for gem materials will inevitably be discovered.
Characterization of Coloured Gemstones by X-ray Micro Computed Tomography
Authors: Heyn René , Rozendaal Abraham , Du Plessis Anton , Mouton Carene
Published: February 2021

The monetary value of gemstones is based on five variables: rarity, cut, weight, color and clarity. The latter refers to internal impurities and defects. Fashion may also dictate demand and price. To enhance some of these features and value, gemstones are treated. Disclosure or nondisclosure thereof has been controversial and affected consumer confidence. Most of these treatments are difficult to detect with the naked eye and accurately quantify with traditional optical and analytical methods. X-ray micro computed tomography (micro-CT or μCT) is proposed as a relatively low cost, physically non-destructive and complementary method to detect and quantify clarity enhancement and also to provide a unique 3D fingerprint of each gemstone. A collection of 14 cut colored gemstones was selected. Micro-CT scans allowed fracture detection, their distribution and calculation of filler volume as well as 3D mapping of inclusions, surface and internal imperfections and artificially induced modifications. As a result the method allows the construction of a digital twin. X-ray exposure could however induce unwanted color changes. This effect was minimized or eliminated by optimizing dosage and exposure time.
Stimulation of Biomethane Productivity in Anaerobic Digestion Using Electro-Conductive Carbon-Nanotube Hollow-Fiber Media
Authors: Yang Seongmin , Han Seungyeob , Yun Yeo-Myeong , Kang Seoktae
Published: February 2021

The production of biogas was promoted via direct interspecies electron transfer (DIET) by employing electro-conductive carbon-nanotube hollow-fiber media (CHM) in anaerobic digestion. Experimental results showed a positive effect of CHM presence on CH4 productivity with 34% higher CH4 production rate than that of in the presence of non-electroconductive polymeric hollow fiber media. An increased CH4 production rate was due to the shift in the microbiome with more abundant Pelobacter (10.0%), Geobacter (6.9%), and Methanosaeta (15.7%), which play key roles in promoting CH4 production via syntrophic metabolism associated with DIET. Microscopic morphology analysis, using confocal laser scanning microscopy and scanning electron microscopy, exhibited that several living cells were attached with electro-conductive pili on the CHM surface, thereby facilitated electron transport between microbial cells.
Alkali-Activated Metakaolin and Fly Ash as Unfired Ceramic Bonding Systems
Authors: Vlček Jozef , Topinková Michaela , Klárová Miroslava , Maierová Petra , Ovčačíková Hana , Matějka Vlastimil , Martaus Alexandr , Blahůšková Veronika
Published: February 2021

Metakaolin (MK) prepared by the calcination of kaolin at 550 °C and fly ash (FA) from the combustion of black coal in a granulating boiler were used to prepare unfired ceramic bonding systems via the alkali activation process. A long-term stability of the mechanical properties of the prepared samples similar to the unfired ceramic systems was observed. The optimal metakaolin and fly ash ratio, the type of the activator (NaOH or water glass) and its concentration were evaluated after the hydration in: a) laboratory conditions; b) hydration box; and c) under the hydrothermal activation. Raw materials and the samples prepared by alkali activation process were characterized by XRD, XRF, TG/DTA, and FTIR methods. The mechanical properties of the prepared samples were tested using a compressive strength test after 2, 28 and 56 days of hydration. The compressive strengths of 16 and 24 MPa after 28 days of hydration were reached for FA samples activated with water glass. The alkali activation of MK was successful in the NaOH solution of the molar concentration above 5 M. The compressive strength values of metakaolin, activated hydrothermally and hydrated at laboratory conditions, reached 11.2 and 5.5 MPa, respectively, for 5 M activator of NaOH.
Gypsum Amendment Induced Rapid Pyritization in Fe-Rich Mine Tailings from Doce River Estuary after the Fundão Dam Collapse
Authors: Ferreira Amanda D. , Queiroz Hermano M. , Kaneagae Maira P. , Nóbrega Gabriel N. , Otero Xosé L. , Bernardino Ângelo F. , Ferreira Tiago O.
Published: February 2021

Mine tailings containing trace metals arrived at the Doce River estuary, after the world’s largest mine tailings disaster (the Mariana disaster) dumped approximately 50 million m3 of Fe-rich tailings into the Doce River Basin. The metals in the tailings are of concern because they present a bioavailability risk in the estuary as well as chronic exposure hazards. Trace metal immobilization into sulfidic minerals, such as, pyrite, plays a key role in estuarine soils; however, this process is limited in the Doce River estuarine soil due to low sulfate inputs. Thus, to assess the use of gypsum amendment to induce pyritization in deposited tailings, a mesocosm experiment was performed for 35 days, with vinasse added as carbon source and doses of gypsum (as a sulfate source). Chemical and morphological evidence of Fe sulfide mineral precipitation was observed. For instance, the addition of 439 mg of S led to the formation of gray and black spots, an Fe2+ increase and decrease in sulfides in the solution, an increase in pyritic Fe, and a greater Pb immobilization by pyrite at the end of the experiment. The results show that induced pyritization may be a strategy for remediating metal contamination at the Doce River estuary.
Therapeutic Potential of Resveratrol in COVID-19-Associated Hemostatic Disorders
Authors: Giordo Roberta , Zinellu Angelo , Eid Ali Hussein , Pintus Gianfranco
Published: February 2021

Coagulation disorders, endotheliopathy and inflammation are the most common hallmarks in SARS-CoV-2 infection, largely determining COVID-19’s outcome and severity. Dysfunctions of endothelial cells and platelets are tightly linked in contributing to the systemic inflammatory response that appears to be both a cause and a consequence of COVID-19-associated coagulation disorders and thrombotic events. Indeed, elevated levels of circulating inflammatory cytokines are often associated with abnormal coagulation parameters in COVID-19 patients. Although treatments with low molecular weight heparin (LMWH) have shown beneficial effects in decreasing patient mortality with severe COVID-19, additional therapeutic strategies are urgently needed. Utilizing the anti-inflammatory and anti-thrombotic properties of natural compounds may provide alternative therapeutic approaches to prevent or reduce the risk factors associated with pre-existing conditions and comorbidities that can worsen COVID-19 patients’ outcomes. In this regard, resveratrol, a natural compound found in several plants and fruits such as grapes, blueberries and cranberries, may represent a promising coadjuvant for the prevention and treatment of COVID-19. By virtue of its anti-thrombotic and anti-inflammatory properties, resveratrol would be expected to lower COVID-19-associated mortality, which is well known to be increased by thrombosis and inflammation. This review analyzes and discusses resveratrol’s ability to modulate vascular hemostasis at different levels targeting both primary hemostasis (interfering with platelet activation and aggregation) and secondary hemostasis (modulating factors involved in coagulation cascade).
Stevioside Activates AMPK to Suppress Inflammation in Macrophages and Protects Mice from LPS-Induced Lethal Shock
Authors: Wei Fuyao , Zhu Hong , Li Na , Yu Chunlei , Song Zhenbo , Wang Shuyue , Sun Ying , Zheng Lihua , Wang Guannan , Huang Yanxin , Bao Yongli , Sun Luguo
Published: February 2021

Stevioside, a diterpenoid glycoside, is widely used as a natural sweetener; meanwhile, it has been proven to possess various pharmacological properties as well. However, until now there were no comprehensive evaluations focused on the anti-inflammatory activity of stevioside. Thus, the anti-inflammatory activities of stevioside, both in macrophages (RAW 264.7 cells, THP-1 cells, and mouse peritoneal macrophages) and in mice, were extensively investigated for the potential application of stevioside as a novel anti-inflammatory agent. The results showed that stevioside was capable of down-regulating lipopolysaccharide (LPS)-induced expression and production of pro-inflammatory cytokines and mediators in macrophages from different sources, such as IL-6, TNF-α, IL-1β, iNOS/NO, COX2, and HMGB1, whereas it up-regulated the anti-inflammatory cytokines IL-10 and TGF-β1. Further investigation showed that stevioside could activate the AMPK -mediated inhibition of IRF5 and NF-κB pathways. Similarly, in mice with LPS-induced lethal shock, stevioside inhibited release of pro-inflammatory factors, enhanced production of IL-10, and increased the survival rate of mice. More importantly, stevioside was also shown to activate AMPK in the periphery blood mononuclear cells of mice. Together, these results indicated that stevioside could significantly attenuate LPS-induced inflammatory responses both in vitro and in vivo through regulating several signaling pathways. These findings further strengthened the evidence that stevioside may be developed into a therapeutic agent against inflammatory diseases.
Microbial Polyhydroxyalkanoates Granules: An Approach Targeting Biopolymer for Medical Applications and Developing Bone Scaffolds
Authors: Goswami Moushmi , Rekhi Pavni , Debnath Mousumi , Ramakrishna Seeram
Published: February 2021

Microbial polyhydroxyalkanoates (PHA) are proteinaceous storage granules ranging from 100 nm to 500 nm. Bacillus sp. serve as unique bioplastic sources of short-chain length and medium-chain length PHA showcasing properties such as biodegradability, thermostability, and appreciable mechanical strength. The PHA can be enhanced by adding functional groups to make it a more industrially useful biomaterial. PHA blends with hydroxyapatite to form nanocomposites with desirable features of compressibility. The reinforced matrices result in nanocomposites that possess significantly improved mechanical and thermal properties both in solid and melt states along with enhanced gas barrier properties compared to conventional filler composites. These superior qualities extend the polymeric composites’ applications to aggressive environments where the neat polymers are likely to fail. This nanocomposite can be used in different industries as nanofillers, drug carriers for packaging essential hormones and microcapsules, etc. For fabricating a bone scaffold, electrospun nanofibrils made from biocomposite of hydroxyapatite and polyhydroxy butyrate, a form of PHA, can be incorporated with the targeted tissue. The other methods for making a polymer scaffold, includes gas foaming, lyophilization, sol–gel, and solvent casting method. In this review, PHA as a sustainable eco-friendly NextGen biomaterial from bacterial sources especially Bacillus cereus, and its application for fabricating bone scaffold using different strategies for bone regeneration have been discussed.
New Quinoxaline Derivatives as Dual Pim-1/2 Kinase Inhibitors: Design, Synthesis and Biological Evaluation
Authors: Oyallon Bruno , Brachet-Botineau Marie , Logé Cédric , Robert Thomas , Bach Stéphane , Ibrahim Sajida , Raoul William , Croix Cécile , Berthelot Pascal , Guillon Jean , Pinaud Noël , Gouilleux Fabrice , Viaud-Massuard Marie-Claude , Denevault-Sabourin Caroline
Published: February 2021

Proviral integration site for Moloney murine leukemia virus (Pim)-1/2 kinase overexpression has been identified in a variety of hematologic (e.g., multiple myeloma or acute myeloid leukemia (AML)) and solid (e.g., colorectal carcinoma) tumors, playing a key role in cancer progression, metastasis, and drug resistance, and is linked to poor prognosis. These kinases are thus considered interesting targets in oncology. We report herein the design, synthesis, structure–activity relationships (SAR) and in vitro evaluations of new quinoxaline derivatives, acting as dual Pim1/2 inhibitors. Two lead compounds (5c and 5e) were then identified, as potent submicromolar Pim-1 and Pim-2 inhibitors. These molecules were also able to inhibit the growth of the two human cell lines, MV4-11 (AML) and HCT-116 (colorectal carcinoma), expressing high endogenous levels of Pim-1/2 kinases.
Molecular Recognition of Imidazole Derivatives by Co(III)-Porphyrins in Phosphate Buffer (pH = 7.4) and Cetylpyridinium Chloride Containing Solutions
Authors: Mamardashvili Galina , Kaigorodova Elena , Dmitrieva Olga , Koifman Oscar , Mamardashvili Nugzar
Published: February 2021

By means of spectrophotometric titration and NMR spectroscopy, the selective binding ability of the Co(III)-5,15-bis-(3-hydroxyphenyl)-10,20-bis-(4-sulfophenyl)porphyrin (Co(III)P1) and Co(III)-5,15-bis-(2-hydroxyphenyl)-10,20-bis-(4-sulfophenyl)porphyrin (Co(III)P2) towards imidazole derivatives of various nature (imidazole (L1), metronidazole (L2), and histamine (L3)) in phosphate buffer (pH 7.4) has been studied. It was found that in the case of L2, L3 the binding of the “first” ligand molecule by porphyrinates Co(III)P1 and Co(III)P2 occurs with the formation of complexes with two binding sites (donor–acceptor bond at the center and hydrogen bond at the periphery of the macrocycle), while the “second” ligand molecule is added to the metalloporphyrin only due to the formation of the donor–acceptor bond at the macrocycle coordination center. The formation of stable complexes with two binding sites has been confirmed by density functional theory method (DFT) quantum chemical calculations and two-dimensional NMR experiments. It was shown that among the studied porphyrinates, Co(III)P2 is more selective towards to L1-L3 ligands, and localization of cobalt porphyrinates in cetylpyridinium chloride (CPC) micelles does not prevent the studied imidazole derivatives reversible binding. The obtained materials can be used to develop effective receptors for recognition, delivery, and prolonged release of drug compounds to the sites of their functioning. Considering that cetylpyridinium chloride is a widely used cationic biocide as a disinfectant, the designed materials may also prove to be effective antimicrobial agents.
Crataegus laevigata Suppresses LPS-Induced Oxidative Stress during Inflammatory Response in Human Keratinocytes by Regulating the MAPKs/AP-1, NFκB, and NFAT Signaling Pathways
Authors: Nguyen Quynh T. N. , Fang Minzhe , Zhang Mengyang , Do Nhung Quynh , Kim Minseon , Zheng Sheng Dao , Hwang Eunson , Yi Tae Hoo
Published: February 2021

Crataegus laevigata belongs to the family Rosaceae, which has been widely investigated for pharmacological effects on the circulatory and digestive systems. However, there is limited understanding about its anti-oxidative stress and anti-inflammatory effects on skin. In this study, 70% ethanol C. laevigata berry extract (CLE) was investigated on lipopolysaccharide (LPS)-stimulated keratinocytes. The LPS-induced overproduction of reactive oxygen species (ROS) was suppressed by the treatment with CLE. In response to ROS induction, the overexpression of inflammatory regulating signaling molecules including mitogen-activated protein kinases (MAPK)/activator protein-1 (AP-1), nuclear factor kappa-light-chain-enhancer of activated B cell (NF-κB), and nuclear factor of activated T-cells (NFAT) were reduced in CLE-treated human keratinocytes. Consequently, CLE significantly suppressed the mRNA levels of pro-inflammatory chemokines and interleukins in LPS-stimulated cells. Our results indicated that CLE has protective effects against LPS-induced injury in an in vitro model and is a potential alternative agent for inflammatory treatment.
Re-Analysis of Abdominal Gland Volatilome Secretions of the African Weaver Ant, Oecophylla longinoda (Hymenoptera: Formicidae)
Authors: Mekonnen Bethelihem , Cheseto Xavier , Pirk Christian , Yusuf Abdullahi , Ekesi Sunday , Deletre Emilie , Torto Baldwyn
Published: February 2021

The African weaver ant, Oecophylla longinoda, is used as a biological control agent for the management of pests. The ant has several exocrine glands in the abdomen, including Dufour’s, poison, rectal, and sternal glands, which are associated with pheromone secretions for intra-specific communication. Previous studies have analyzed the gland secretions of Dufour’s and poison glands. The chemistry of the rectal and sternal glands is unknown. We re-analyzed the secretions from Dufour’s and poison glands plus the rectal and sternal glands to compare their chemistries and identify additional components. We used the solid-phase microextraction (SPME) technique to collect gland headspace volatiles and solvent extraction for the secretions. Coupled gas chromatography–mass spectrometry (GC-MS) analysis detected a total of 78 components, of which 62 were being reported for the first time. These additional components included 32 hydrocarbons, 12 carboxylic acids, 5 aldehydes, 3 alcohols, 2 ketones, 4 terpenes, 3 sterols, and 1 benzenoid. The chemistry of Dufour’s and poison glands showed a strong overlap and was distinct from that of the rectal and sternal glands. The different gland mixtures may contribute to the different physiological and behavioral functions in this ant species.
Thermodynamics of Mg–Al Order-Disorder Reaction in MgAl2O4-Spinel: Constrained by Prolonged Annealing Experiments at 773–1123 K
Authors: Ma Yunlu , Bao Xinjian , Liu Xi
Published: February 2021

MgAl2O4-spinel has wide industrial and geological applications due to its special structural and physical–chemical features. It is presumably the most important endmember of complex natural spinel solid solutions, and therefore provides a structural model for a large group of minerals with the spinel structure. There exists a well known but still inadequately understood phenomenon in the structure of MgAl2O4-spinel, the Mg–Al cations readily exchanging their positions in response to variations of temperature, pressure, and composition. A large number of experiments were performed to investigate the Mg–Al cation order-disorder process usually quantified by the inversion parameter x (representing either the molar fraction of Al on the tetrahedral T-sites or the molar fraction of Mg on the octahedral M-sites in the spinel structure), and some thermodynamic models were thereby constructed to describe the x-T relation. However, experimental data at some key T were absent, so that the different performance of these thermodynamic models could not be carefully evaluated. This limited the interpolation and extrapolation of the thermodynamic models. By performing some prolonged annealing experiments with some almost pure natural MgAl2O4-spinel plates and quantifying the x values with single-crystal X-ray diffraction technique, we obtained some critical equilibrium x values at T down to 773 K. These new x-T data, along with those relatively reliable x values at relatively high T from early studies, clearly indicate that the CS94 Model (a model constructed by Carpenter and Salje in 1994) better describes the Mg–Al cation order-disorder reaction in MgAl2O4-spinel for a wide range of T. On the basis of the CS94 Model, a geothermometer was established, and its form is T-closure = 21362 × x3 − 12143 × x2 + 6401 × x − 10 (T-closure standing for the closure temperature of the Mg–Al cation exchange reaction). This geothermometer can be used to constrain the thermal history of the geological bodies containing MgAl2O4-spinel.
Aroma Profile and Chemical Composition of Reverse Osmosis and Nanofiltration Concentrates of Red Wine Cabernet Sauvignon
Authors: Ivić Ivana , Kopjar Mirela , Jukić Vladimir , Bošnjak Martina , Maglica Matea , Mesić Josip , Pichler Anita
Published: February 2021

Wine aroma represents one of the main properties that determines the consumer acceptance of the wine. It is different for each wine variety and depends on a large number of various chemical compounds. The aim of this study was to prepare red wine concentrates with enriched aroma compounds and chemical composition. For that purpose, Cabernet Sauvignon red wine variety was concentrated by reverse osmosis (RO) and nanofiltration (NF) processes under different operating conditions. Different pressures (2.5, 3.5, 4.5 and 5.5 MPa) and temperature regimes (with and without cooling) were applied on Alfa Laval LabUnit M20 equipped with six composite polyamide RO98pHt M20 or NF M20 membranes. Higher pressure increased the retention of sugars, SO2, total and volatile acids and ethanol, but the temperature increment had opposite effect. Both membranes were permeable for water, ethanol, acetic acid, 4-ethylphenol and 4-ethylguaiacol and their concentration decreased after wine filtration. RO98pHt membranes retained higher concentrations of total aroma compounds than NF membranes, but both processes, reverse osmosis and nanofiltration, resulted in retentates with different aroma profiles comparing to the initial wine. The retention of individual compounds depended on several factors (chemical structure, stability, polarity, applied processing parameters, etc.).
Weathering of Antibacterial Melt-Spun Polyfilaments Modified by Pine Rosin
Authors: Kanerva Mikko , Mensah-Attipoe Jacob , Puolakka Arja , Takala Timo M. , Hyttinen Marko , Layek Rama , Palola Sarianna , Yudin Vladimir , Pasanen Pertti , Saris Per
Published: February 2021

For many antibacterial polymer fibres, especially for those with natural functional additives, the antibacterial response might not last over time. Moreover, the mechanical performance of polymeric fibres degrades significantly during the intended operation, such as usage in textile and industrial filter applications. The degradation process and overall ageing can lead to emitted volatile organic compounds (VOCs). This work focused on the usage of pine rosin as natural antibacterial chemical and analysed the weathering of melt-spun polyethylene (PE) and poly lactic acid (PLA) polyfilaments. A selected copolymer surfactant, as an additional chemical, was studied to better integrate rosin with the molecular structure of the plastics. The results reveal that a high 20 w-% of rosin content can be obtained by surfactant addition in non-oriented PE and PLA melt-spun polyfilaments. According to the VOC analysis, interestingly, the total emissions from the melt-spun PE and PLA fibres were lower for rosin-modified (10 w-%) fibres and when analysed below 60 ℃. The PE fibres of the polyfilaments were found to be clearly more durable in terms of the entire weathering study, i.e., five weeks of ultraviolet radiation, thermal ageing and standard washing. The antibacterial response against Gram-positive Staphylococcus aureus by the rosin-containing fibres was determined to be at the same level (decrease of 3–5 logs cfu/mL) as when using 1.0 w-% of commercial silver-containing antimicrobial. For the PE polyfilaments with rosin (10 w-%), full killing response (decrease of 3–5 logs cfu/mL) remained after four weeks of accelerated ageing at 60 ℃.
Reversible Diels–Alder Reactions with a Fluorescent Dye on the Surface of Magnetite Nanoparticles
Authors: He Siyang , Kickelbick Guido
Published: February 2021

Diels–Alder reactions on the surface of nanoparticles allow a thermoreversible functionalization of the nanosized building blocks. We report the synthesis of well-defined magnetite nanoparticles by thermal decomposition reaction and their functionalization with maleimide groups. Attachment of these dienophiles was realized by the synthesis of organophosphonate coupling agents and a partial ligand exchange of the original carboxylic acid groups. The functionalized iron oxide particles allow a covalent surface attachment of a furfuryl-functionalized rhodamine B dye by a Diels–Alder reaction at 60 °C. The resulting particles showed the typical fluorescence of rhodamine B. The dye can be cleaved off the particle surface by a retro-Diels–Alder reaction. The study showed that organic functions can be thermoreversibly attached onto inorganic nanoparticles.
Influenza Viruses: Harnessing the Crucial Role of the M2 Ion-Channel and Neuraminidase toward Inhibitor Design
Authors: Mtambo Sphamadla E. , Amoako Daniel G. , Somboro Anou M. , Agoni Clement , Lawal Monsurat M. , Gumede Nelisiwe S. , Khan Rene B. , Kumalo Hezekiel M.
Published: February 2021

As a member of the Orthomyxoviridae family of viruses, influenza viruses (IVs) are known causative agents of respiratory infection in vertebrates. They remain a major global threat responsible for the most virulent diseases and global pandemics in humans. The virulence of IVs and the consequential high morbidity and mortality of IV infections are primarily attributed to the high mutation rates in the IVs’ genome coupled with the numerous genomic segments, which give rise to antiviral resistant and vaccine evading strains. Current therapeutic options include vaccines and small molecule inhibitors, which therapeutically target various catalytic processes in IVs. However, the periodic emergence of new IV strains necessitates the continuous development of novel anti-influenza therapeutic options. The crux of this review highlights the recent studies on the biology of influenza viruses, focusing on the structure, function, and mechanism of action of the M2 channel and neuraminidase as therapeutic targets. We further provide an update on the development of new M2 channel and neuraminidase inhibitors as an alternative to existing anti-influenza therapy. We conclude by highlighting therapeutic strategies that could be explored further towards the design of novel anti-influenza inhibitors with the ability to inhibit resistant strains.
Selenium Biofortification: Roles, Mechanisms, Responses and Prospects
Authors: Hossain Akbar , Skalicky Milan , Brestic Marian , Maitra Sagar , Sarkar Sukamal , Ahmad Zahoor , Vemuri Hindu , Garai Sourav , Mondal Mousumi , Bhatt Rajan , Kumar Pardeep , Banerjee Pradipta , Saha Saikat , Islam Tofazzal , Laing Alison M.
Published: February 2021

The trace element selenium (Se) is a crucial element for many living organisms, including soil microorganisms, plants and animals, including humans. Generally, in Nature Se is taken up in the living cells of microorganisms, plants, animals and humans in several inorganic forms such as selenate, selenite, elemental Se and selenide. These forms are converted to organic forms by biological process, mostly as the two selenoamino acids selenocysteine (SeCys) and selenomethionine (SeMet). The biological systems of plants, animals and humans can fix these amino acids into Se-containing proteins by a modest replacement of methionine with SeMet. While the form SeCys is usually present in the active site of enzymes, which is essential for catalytic activity. Within human cells, organic forms of Se are significant for the accurate functioning of the immune and reproductive systems, the thyroid and the brain, and to enzyme activity within cells. Humans ingest Se through plant and animal foods rich in the element. The concentration of Se in foodstuffs depends on the presence of available forms of Se in soils and its uptake and accumulation by plants and herbivorous animals. Therefore, improving the availability of Se to plants is, therefore, a potential pathway to overcoming human Se deficiencies. Among these prospective pathways, the Se-biofortification of plants has already been established as a pioneering approach for producing Se-enriched agricultural products. To achieve this desirable aim of Se-biofortification, molecular breeding and genetic engineering in combination with novel agronomic and edaphic management approaches should be combined. This current review summarizes the roles, responses, prospects and mechanisms of Se in human nutrition. It also elaborates how biofortification is a plausible approach to resolving Se-deficiency in humans and other animals.
Determination of Volatile Terpenes in Coriander Cold Pressed Oil by Vacuum Assisted Sorbent Extraction (VASE)
Authors: Jeleń Henryk H. , Marcinkowska Monika A. , Marek Maria
Published: February 2021

Cold-pressed plant oils are of high interest to consumers due to their unique and interesting flavors. As they are usually only pressed at low temperatures and filtered, without further processing stages (as refining), they preserve their character that originates from the plant the oil was extracted from. Coriander cold pressed oil is gaining popularity as a novel product, obtained from its fruits/seeds; due to the high amount of terpenes, it has very characteristic flavor. A novel, vacuum-assisted sorbent extraction (VASE) method was used to extract terpenes from coriander cold pressed oil. Optimal parameters were determined. The profile of compounds extracted using VASE was compared with that of classic hydrodistillation method. Moreover, 17 monoterpene hydrocarbons and alcohols were identified with β-linalool as the main compound, followed by α-pinene, γ-terpinene, camphor, sylvestrene, β-pinene, and o-cymene. Differences were noted between profiles of terpenes after hydrodistillation and VASE extraction. For 8 out of 17 terpenes, VASE was used for their quantitative analysis. Regarding simplicity of the method, small sample requirement (200 mg) and short extraction time (5 min), VASE combined with GC/MS is well suited for characterization of terpenes in such matrix as plant oils.
Infrared Nanospectroscopy of Individual Extracellular Microvesicles
Authors: Polito Raffaella , Musto Mattia , Temperini Maria Eleonora , Ballerini Laura , Ortolani Michele , Baldassarre Leonetta , Casalis Loredana , Giliberti Valeria
Published: February 2021

Extracellular vesicles are membrane-delimited structures, involved in several inter-cellular communication processes, both physiological and pathological, since they deliver complex biological cargo. Extracellular vesicles have been identified as possible biomarkers of several pathological diseases; thus, their characterization is fundamental in order to gain a deep understanding of their function and of the related processes. Traditional approaches for the characterization of the molecular content of the vesicles require a large quantity of sample, thereby providing an average molecular profile, while their heterogeneity is typically probed by non-optical microscopies that, however, lack the chemical sensitivity to provide information of the molecular cargo. Here, we perform a study of individual microvesicles, a subclass of extracellular vesicles generated by the outward budding of the plasma membrane, released by two cultures of glial cells under different stimuli, by applying a state-of-the-art infrared nanospectroscopy technique based on the coupling of an atomic force microscope and a pulsed laser, which combines the label-free chemical sensitivity of infrared spectroscopy with the nanometric resolution of atomic force microscopy. By correlating topographic, mechanical and spectroscopic information of individual microvesicles, we identified two main populations in both families of vesicles released by the two cell cultures. Subtle differences in terms of nucleic acid content among the two families of vesicles have been found by performing a fitting procedure of the main nucleic acid vibrational peaks in the 1000–1250 cm−1 frequency range.
Synthesis of Four Pentacyclic Triterpene–Sialylglycopeptide Conjugates and Their Affinity Assays with Hemagglutinin
Authors: Luo Mei , Wu Ximin , Li Yiming , Guo Fujiang
Published: February 2021

Influenza outbreaks pose a serious threat to human health. Hemagglutinin (HA) is an important target for influenza virus entry inhibitors. In this study, we synthesized four pentacyclic triterpene conjugates with a sialylglycopeptide scaffold through the Cu(I)-catalyzed alkyne-azide cycloaddition reaction (CuAAC) and prepared affinity assays of these conjugates with two HAs, namely H1N1 (A/WSN/1933) and H5N1 (A/Hong Kong/483/97), respectively. With a dissociation constant (KD) of 6.89 μM, SCT-Asn-betulinic acid exhibited the strongest affinity with the H1N1 protein. Furthermore, with a KD value of 9.10 μM, SCT-Asn-oleanolic acid exhibited the strongest affinity with the H5N1 protein. The conjugates considerably enhanced antiviral activity, which indicates that pentacyclic triterpenes can be used as a ligand to improve the anti-influenza ability of the sialylglycopeptide molecule by acting on the HA protein.
Genotoxicity of Water Extract from Bark-Removed Rhus verniciflua Stokes
Authors: Lee Sung-Bae , Lee Jin-Seok , Wang Jing-Hua , Kim Min-Young , Choi Yung-Hyun , Lee Hwa-Dong , Son Chang-Gue
Published: February 2021

Rhus verniciflua Stokes (RVS) has been traditionally used as an herbal remedy to support the digestive functions in traditional Korean medicine. Additionally, the pharmacological effects of RVS, including antioxidative, antimicrobial and anticancer activities, have been well-reported. The genotoxicity of RVS, however, is elusive; thus, we evaluated the genotoxicity of RVS without bark (RVX) for safe application as a resource of functional food or a medical drug. To evaluate the genotoxicity of RVX, we used a bacterial reverse mutation test, chromosomal aberration test and comet assay, according to the “Organization for Economic Co-operation and Development” (OECD) guidelines. Briefly, for the reverse mutation test, samples (5000, 1667, 556, 185, 62 and 0 μg/plate of RVX or the positive control) were treated with a precultured strain (TA98, TA100, TA1535, TA1537 or WP2µvrA) with or without the S9 mix, in which RVX partially induced a reverse mutation in four bacterial strains. From the chromosomal aberration test and comet assay, the RVX samples (556, 185, 62, 20 and 0 μg/mL of RVX or the positive control) were treated in a Chinese hamster ovary cell line (CHO-K1 cells) in the conditions of the S9 mix absent or S9 mix present and in Chang liver cells and C2C12 myoblasts, respectively. No chromosomal aberrations in CHO-K1 or DNA damage in Chang liver cells and C2C12 myoblasts was observed. In conclusion, our results suggest the non-genotoxicity of RVX, which would be helpful as a reference for the safe application of bark-removed Rhus verniciflua Stokes as functional raw materials in the food, cosmetics or pharmaceutical fields.
Silencing ZEB2 Induces Apoptosis and Reduces Viability in Glioblastoma Cell Lines
Authors: Safaee Sahar , Fardi Masoumeh , Hemmat Nima , Khosravi Neda , Derakhshani Afshin , Silvestris Nicola , Baradaran Behzad
Published: February 2021

Background: Glioma is an aggressive type of brain tumor that originated from neuroglia cells, accounts for about 80% of all malignant brain tumors. Glioma aggressiveness has been associated with extreme cell proliferation, invasion of malignant cells, and resistance to chemotherapies. Due to resistance to common therapies, glioma affected patients’ survival has not been remarkably improved. ZEB2 (SIP1) is a critical transcriptional regulator with various functions during embryonic development and wound healing that has abnormal expression in different malignancies, including brain tumors. ZEB2 overexpression in brain tumors is attributed to an unfavorable state of the malignancy. Therefore, we aimed to investigate some functions of ZEB2 in two different glioblastoma U87 and U373 cell lines. Methods: In this study, we investigated the effect of ZEB2 knocking down on the apoptosis, cell cycle, cytotoxicity, scratch test of the two malignant brain tumor cell lines U87 and U373. Besides, we investigated possible proteins and microRNA, SMAD2, SMAD5, and miR-214, which interact with ZEB2 via in situ analysis. Then we evaluated candidate gene expression after ZEB2-specific knocking down. Results: We found that ZEB2 suppression induced apoptosis in U87 and U373 cell lines. Besides, it had cytotoxic effects on both cell lines and reduced cell migration. Cell cycle analysis showed cell cycle arrest in G0/G1 and apoptosis induction in U87 and U373 cell lines receptively. Also, we have found that SAMAD2/5 expression was reduced after ZEB2-siRNA transfection and miR-214 upregulated after transfection. Conclusions: In line with previous investigations, our results indicated a critical oncogenic role for ZEB2 overexpression in brain glioma tumors. These properties make ZEB2 an essential molecule for further studies in the treatment of glioma cancer.