bluuebunny/crossref_metadata_2025 huggingface dataset:
Polydispersity vs. Monodispersity. How the Properties of Ni-Ag Core-Shell Nanoparticles Affect the Conductivity of Ink Coatings
Authors: Pajor-Świerzy Anna , Staśko Dawid , Pawłowski Radosław , Mordarski Grzegorz , Kamyshny Alexander , Szczepanowicz Krzysztof
Published: April 2021

The effect of polydispersity of nickel-silver core-shell nanoparticles (Ni-Ag NPs) on the conductivity of ink coatings was studied. Ni-Ag NPs of various average diameters (100, 220, and 420 nm) were synthesized and utilized for the preparation of conductive inks composed of monodisperse NPs and their polydisperse mixtures. The shell thickness of synthesized Ni-Ag NPs was found to be in the range of 10–20 nm and to provide stability of a core metal to oxidation for at least 6 months. The conductivity of metallic films formed by inks with monodisperse Ni-Ag NPs was compared with those formed by polydisperse inks. In all cases, the optimal conditions for the formation of conductive patterns (weight ratio of monodisperse NPs for polydisperse composition, the concentration of the wetting agent, sintering temperature, and duration) were determined. It was found that metallic films formed by polydisperse ink containing 100, 220, and 420 nm Ni-Ag NPs with a mass ratio of 1:1.5:0.5, respectively, are characterized by the lowest resistivity, 10.9 µΩ·cm, after their thermal post-coating sintering at 300 °C for 30 min that is only 1.6 higher than that of bulk nickel.
Effects of Forming Parameters on Fatigue Life in Incremental Sheet Punching
Authors: Wang Jin , Wang Xu , Wang Yongqiang , Wang Mengting
Published: April 2021

In order to investigate the effects of main forming parameters on the fatigue life in incremental sheet punching, wavelength and amplitude were selected as factors, and fatigue life of truncated pyramids and virgin material was selected as indicator. The effects of the parameters were identified whereby the design of full factorial experiment, fatigue comparative test, analysis of variance, Tukey test, and t-test. It was found that wavelength and amplitude significantly affect the fatigue life. In addition, the improvement of fatigue life decreased with the increment of wavelength and increased with the increment of amplitude when it is less than a certain value, followed by decreasing.
Progress on V2O5 Cathodes for Multivalent Aqueous Batteries
Authors: Karapidakis Emmanuel , Vernardou Dimitra
Published: April 2021

Research efforts have been focused on developing multivalent ion batteries because they hold great promise and could be a major advancement in energy storage, since two or three times more charge per ion can be transferred as compared with lithium. However, their application is limited because of the lack of suitable cathode materials to reversibly intercalate multivalent ions. From that perspective, vanadium pentoxide is a promising cathode material because of its low toxicity, ease of synthesis, and layered structure, which provides huge possibilities for the development of energy storage devices. In this mini review, the general strategies required for the improvement of reversibility, capacity value, and stability of the cathodes is presented. The role of nanostructural morphologies, structure, and composites on the performance of vanadium pentoxide in the last five years is addressed. Finally, perspectives on future directions of the cathodes are proposed.
Study on the Strength Performance of Recycled Aggregate Concrete with Different Ages under Direct Shearing
Authors: Liang Xin , Yan Fang , Chen Yuliang , Wu Huiqin , Ye Peihuan , Mo Yuhuan
Published: April 2021

In order to study the mechanical properties of recycled aggregate concrete (RAC) at different ages, 264 standard cubes were designed to test its direct shear strength and cube compressive strength while considering the parameters of age and recycled aggregate replacement ratio. The failure pattern and load–displacement curve of specimens at direct shearing were obtained; the direct shear strength and residual shear strength were extracted from the load–displacement curves. Experimental results indicate that the influence of the replacement ratio for the front and side cracks of RAC is insignificant, with the former being straight and the latter relatively convoluted. At the age of three days, the damaged interface between aggregate and mortar is almost completely responsible for concrete failure; in addition to the damage of coarse aggregates, aggregate failure is also an important factor in concrete failure at other ages. The load–displacement curve of RAC at direct shearing can be divided into elasticity, elastoplasticity, plasticity, and stabilization stages. The brittleness of concrete decreases with its age, which is reflected in the gradual shortening of the elastoplastic stage. At 28 days of age, the peak direct shear force increases with the replacement ratio, while the trend is opposite at ages of 3 days, 7 days, and 14 days, respectively. The residual strength of RAC decreases inversely to the replacement ratio, with the rate of decline growing over time. A two-parameter RAC direct shear strength calculation formula was established based on the analysis of age and replacement rate to peak shear force of RAC. The relationship between cube compressive strength and direct shear strength of recycled concrete at various ages was investigated.
The Effect of Material Type and Location of an Orthodontic Retainer in Resisting Axial or Buccal Forces
Authors: Ohtonen Jaana , Lassila Lippo , Säilynoja Eija , Vallittu Pekka K.
Published: April 2021

The purpose of this study was to investigate the effect of retainer material and retainer position on a tooth to resist movement of the tooth in a simulation model. Bidirectional continuous glass fiber-reinforced composite (FRC) retainers and control retainers of steel wires were tested. The FRC retainers had a polymer matrix of bisphenol-A-glycidyldimethacrylate (bis-GMA) and poly(methylmethacrylate) (PMMA), and it was cured with a photoinitiator system. The retainers were adhered to a lower jaw Frasaco model in two different positions. Resistance against the movement of one tooth was measured from two directions. The average load values within the FRC retainer groups were higher than within the metal retainer groups. The load values for the groups loaded from the axial direction were higher than those loaded from the buccal direction. FRC retainers, which were located 1–2 mm from the incisal edge, showed higher load values than those located 4–5 mm from the incisal edge. There was a significant difference in load values between FRC retainers and metal retainers (p < 0.01). The wire position and the direction of force also had significant effects (p < 0.01). There were no significant differences between metal retainer groups. The results of this study suggest that metal retainers are more flexible, allowing for tooth movements of larger magnitude than with FRC retainers.
Single-Crystal Diamond Needle Fabrication Using Hot-Filament Chemical Vapor Deposition
Authors: Ismagilov Rinat , Malykhin Sergei , Puzyr Aleksey , Loginov Artem , Kleshch Victor , Obraztsov Alexander
Published: April 2021

Single-crystal diamonds in the form of micrometer-scale pyramids were produced using a combination of hot-filament (HF) chemical vapor deposition (CVD) and thermal oxidation processes. The diamond pyramids were compared here with similar ones that were manufactured using plasma-enhanced (PE) CVD. The similarities revealed in the morphology, Raman, and photoluminescent characteristics of the needles obtained using the hot-filament and plasma-enhanced CVD are discussed in connection with the diamond film growth mechanism. This work demonstrated that the HF CVD method has convincing potential for the fabrication of single-crystal diamond needles in the form of regularly shaped pyramids on a large surface area, even on non-conducting substrates. The experimental results demonstrated the ability for the mass production of the single-crystal needle-like diamonds, which is important for their practical application.
Advanced Models for Modulus and Strength of Carbon-Nanotube-Filled Polymer Systems Assuming the Networks of Carbon Nanotubes and Interphase Section
Authors: Zare Yasser , Rhee Kyongyop
Published: April 2021

This study focuses on the simultaneous stiffening and percolating characteristics of the interphase section in polymer carbon nanotubes (CNTs) systems (PCNTs) using two advanced models of tensile modulus and strength. The interphase, as a third part around the nanoparticles, influences the mechanical features of such systems. The forecasts agree well with the tentative results, thus validating the advanced models. A CNT radius of >40 nm and CNT length of <5 μm marginally improve the modulus by 70%, while the highest modulus development of 350% is achieved with the thinnest nanoparticles. Furthermore, the highest improvement in nanocomposite’s strength (350%) is achieved with the CNT length of 12 μm and interfacial shear strength of 8 MPa. Generally, the highest ranges of the CNT length, interphase thickness, interphase modulus and interfacial shear strength lead to the most desirable mechanical features.
A Simple Proposal for Including Designer Preferences in Multi-Objective Optimization Problems
Authors: Blasco Xavier , Reynoso-Meza Gilberto , Sánchez-Pérez Enrique A. , Sánchez-Pérez Juan Vicente , Jonard-Pérez Natalia
Published: April 2021

Including designer preferences in every phase of the resolution of a multi-objective optimization problem is a fundamental issue to achieve a good quality in the final solution. To consider preferences, the proposal of this paper is based on the definition of what we call a preference basis that shows the preferred optimization directions in the objective space. Associated to this preference basis a new basis in the objective space—dominance basis—is computed. With this new basis the meaning of dominance is reinterpreted to include the designer’s preferences. In this paper, we show the effect of changing the geometric properties of the underlying structure of the Euclidean objective space by including preferences. This way of incorporating preferences is very simple and can be used in two ways: by redefining the optimization problem and/or in the decision-making phase. The approach can be used with any multi-objective optimization algorithm. An advantage of including preferences in the optimization process is that the solutions obtained are focused on the region of interest to the designer and the number of solutions is reduced, which facilitates the interpretation and analysis of the results. The article shows an example of the use of the preference basis and its associated dominance basis in the reformulation of the optimization problem, as well as in the decision-making phase.
Carbon Futures Trading and Short-Term Price Prediction: An Analysis Using the Fractal Market Hypothesis and Evolutionary Computing
Authors: Lamphiere Marc , Blackledge Jonathan , Kearney Derek
Published: April 2021

This paper presents trend prediction results based on backtesting of the European Union Emissions Trading Scheme futures market. This is based on the Intercontinental Exchange from 2005 to 2019. An alternative trend prediction strategy is taken that is predicated on an application of the Fractal Market Hypothesis (FMH) in order to develop an indicator that is predictive of short term future behaviour. To achieve this, we consider that a change in the polarity of the Lyapunov-to-Volatility Ratio precedes an associated change in the trend of the European Union Allowances (EUAs) price signal. The application of the FMH in this case is demonstrated to provide a useful tool in order to assess the likelihood of the market becoming bear or bull dominant, thereby helping to inform carbon trading investment decisions. Under specific conditions, Evolutionary Computing methods are utilised in order to optimise specific trading execution points within a trend and improve the potential profitability of trading returns. Although the approach may well be of value for general energy commodity futures trading (and indeed the wider financial and commodity derivative markets), this paper presents the application of an investment indicator for EUA carbon futures risk modelling and investment trend analysis only.
Decolorization of a Corn Fiber Arabinoxylan Extract and Formulation of Biodegradable Films for Food Packaging
Authors: Weng Verónica , Brazinha Carla , Coelhoso Isabel M. , Alves Vitor D.
Published: April 2021

Corn fiber from the corn starch industry is a by-product produced in large quantity that is mainly used in animal feed formulations, though it is still rich in valuable components, such as arabinoxylans, with proven film-forming ability. During arabinoxylans’ recovery under alkaline extraction, a dark-colored biopolymer fraction is obtained. In this work, a purified arabinoxylan extract from corn fiber with an intense brownish color was decolorized using hydrogen peroxide as the decolorizing agent. Biodegradable films prepared by casting the decolorized extract exhibited a light-yellow color, considered more appealing, envisaging their application in food packaging. Films were prepared with glycerol as plasticizer and citric acid as cross-linker. Although the cross-linking reaction was not effective, films presented antioxidant activity, a water vapor permeability similar to that of non-decolorized films, and other polysaccharides’ and mechanical properties that enable their application as packaging materials of low-water-content food products.
Liquid Low-Level Radioactive Waste Treatment Using an Electrodialysis Process
Authors: Miśkiewicz Agnieszka , Nowak Agnieszka , Pałka Jędrzej , Zakrzewska-Kołtuniewicz Grażyna
Published: April 2021

In this work, the possibility of using electrodialysis for the treatment of liquid low-level radioactive waste was investigated. The first aim of the research was to evaluate the influence of the process parameters on the treatment of model solutions with different compositions. Subsequent experimental tests were conducted using solutions containing selected radionuclides (60Co and 137Cs), which are potential contaminants of effluents from nuclear power plants, as well as components often found in waste generated from industrial and medical radioisotope applications. The results of the experiments performed on real radioactive waste confirmed that electrodialysis was a suitable method for the treatment of such effluents because it ensured high levels of desalination and rates of decontamination. The most important parameters impacting the process were the applied voltage and electrical current. Moreover, this research shows that the application of the ED process enables the separation of non-ionic organic contaminants of LLW, which are unfavorable in further stages of waste predisposal.
Membranes for Water, Gas and Ion Separation
Authors: Kim Seungju
Published: April 2021

In recent years, many industry sectors have recognised the importance of sustainable energy, reducing energy consumption and efficient production [...]
Bench-Scale Membrane Reactor for Methylcyclohexane Dehydrogenation Using Silica Membrane Module
Authors: Seshimo Masahiro , Urai Hiromi , Sasa Kazuaki , Nishino Hitoshi , Yamaguchi Yuichiro , Nishida Ryoichi , Nakao Shin-ichi
Published: April 2021

Methylcyclohexane-toluene system is one of the most promising methods for hydrogen transport/storage. The methylcyclohexane dehydrogenation can be exceeded by the equilibrium conversion using membrane reactor. However, the modularization of the membrane reactor and manufacturing longer silica membranes than 100 mm are little developed. Herein, we have developed silica membrane with practical length by a counter-diffusion chemical vapor deposition method, and membrane reactor module bundled multiple silica membranes. The developed 500 mm-length silica membrane had high hydrogen permselective performance (H2 permeance > 1 × 10−6 mol m−2 s−1 Pa−1, H2/SF6 selectivity > 10,000). In addition, we successfully demonstrated effective methylcyclohexane dehydrogenation using a flange-type membrane reactor module, which was installed with 6 silica membranes. The results indicated that conversion of methylcyclohexane was around 85% at 573 K, whereas the equilibrium conversion was 42%.
Tauroursodeoxycholic Acid (TUDCA)—Lipid Interactions and Antioxidant Properties of TUDCA Studied in Model of Photoreceptor Membranes
Authors: Sabat Michał J. , Wiśniewska-Becker Anna M. , Markiewicz Michał , Marzec Katarzyna M. , Dybas Jakub , Furso Justyna , Pabisz Paweł , Duda Mariusz , Pawlak Anna M.
Published: April 2021

Tauroursodeoxycholic acid (TUDCA), a hydrophilic bile acid containing taurine conjugated with the ursodeoxycholic acid (UDCA), has been known and used from ancient times as a therapeutic compound in traditional Chinese medicine. TUDCA has recently been gaining significant interest as a neuroprotective agent, also exploited in the visual disorders. Among several mechanisms of TUDCA’s protective action, its antioxidant activity and stabilizing effect on mitochondrial and plasma membranes are considered. In this work we investigated antioxidant activity of TUDCA and its impact on structural properties of model membranes of different composition using electron paramagnetic resonance spectroscopy and the spin labeling technique. Localization of TUDCA molecules in a pure POPC bilayer has been studied using a molecular dynamics simulation (MD). The obtained results indicate that TUDCA is not an efficient singlet oxygen (1O2 (1Δg)) quencher, and the determined rate constant of its interaction with 1O2 (1Δg) is only 1.9 × 105 M−1s−1. However, in lipid oxidation process induced by a Fenton reaction, TUDCA reveals substantial antioxidant activity significantly decreasing the rate of oxygen consumption in the system studied. In addition, TUDCA induces slight, but noticeable changes in the polarity and fluidity of the investigated model membranes. The results of performed MD simulation correspond very well with the experimental results.
Heat Treatment and Austenitization Temperature Effect on Microstructure and Impact Toughness of an Ultra-High Strength Steel
Authors: Field Daniel M. , Cluff Stephen R. , Limmer Krista R. , Montgomery Jonathan S. , Magagnosc Daniel J. , Cho Kyu C.
Published: April 2021

Heat treatment parameters were varied to determine the effect of normalizing and austenitizing temperature on the properties of an ultra-high strength wrought steel. Normalizing temperature did not have a significant effect on strength and ductility. Higher normalizing temperatures led to an increase in final prior austenite grain size and a slight loss in toughness. Austenitizing temperature of 825 °C was insufficient to produce a fully austenitic structure prior to quenching and led to sub-par impact behavior. The best properties were obtained after austenitizing at 915 °C followed by water quenching; the resulting quasi static properties were shown to be a yield strength of 1380 MPa with an ultimate tensile strength of 1670 MPa and 12.5% total ductility. Charpy V-notch impact properties as high as 52 J at −40 °C and 75 J at 25 °C and the behavior were achieved using higher austenitizing temperatures as well.
Microstructure, Mechanical, Corrosion, and Ignition Properties of WE43 Alloy Prepared by Different Processes
Authors: Dvorský Drahomír , Kubásek Jiří , Hosová Klára , Čavojský Miroslav , Vojtěch Dalibor
Published: April 2021

This paper deals with the effect of microstructure condition on ignition temperature, mechanical and corrosion properties of commercial WE43 alloy prepared by various processing techniques including conventional casting, extrusion, and powder metallurgy methods such as spark plasma sintering. For different processing technique, differences in microstructures were observed, including different grain sizes, intermetallic phases, amount of alloying elements in the solid solutions, or specific structural elements. Mechanical and corrosion properties were improved especially by grain refinement. Precipitation from oversaturated solid solutions led to further improvement of mechanical properties, while corrosion resistance was just slightly decreased due to the fine and homogeneously distributed precipitates of Mg41Nd5. The obtained results indicate huge differences in ignition resistance based on the metallurgical state of the microstructure. An improved ignition resistance was obtained at the condition with a higher concentration of proper alloying elements (Y, Nd, Gd, Dy) in the solid solution and absence of eutectic phases in the microstructure. Thermally stable intermetallic phases had a minor effect on resulting ignition temperature.
A Comparative Study of Energy Efficiency in Tumbling Mills with the Use of Relo Grinding Media
Authors: Kolev Nikolay , Bodurov Petar , Genchev Vassil , Simpson Ben , Melero Manuel G. , Menéndez-Aguado Juan M.
Published: April 2021

An evaluation of Relo grinding media (RGM, Reuleaux tetrahedron-shaped bodies) performance versus standard grinding media (balls) was made through a series of grinding tests, including a slight modification of the standard Bond test procedure. Standard Bond tests showed a reduction in the Bond ball mill work index (wi) of the mineral sample used in this study when using Relo grinding media. The modified Bond test procedure is based on using the standard Bond ball work index test but changing the circulating loads (350%, 250%, 150%, 100%). The comparative tests with RGM were carried out at the same number of revolutions as the grinding tests with balls at respective circulating load. The RGM charge yielded a 14% higher net undersize product than balls, which hints at improving energy efficiency and the potential for significant mining industry benefits.
In Vivo Estimation of Ketogenesis Using Metabolic Flux Analysis—Technical Aspects and Model Interpretation
Authors: Deja Stanislaw , Kucejova Blanka , Fu Xiaorong , Browning Jeffrey D. , Young Jamey D. , Burgess Shawn
Published: April 2021

Ketogenesis occurs in liver mitochondria where acetyl-CoA molecules, derived from lipid oxidation, are condensed into acetoacetate (AcAc) and reduced to β-hydroxybutyrate (BHB). During carbohydrate scarcity, these two ketones are released into circulation at high rates and used as oxidative fuels in peripheral tissues. Despite their physiological relevance and emerging roles in a variety of diseases, endogenous ketone production is rarely measured in vivo using tracer approaches. Accurate determination of this flux requires a two-pool model, simultaneous BHB and AcAc tracers, and special consideration for the stability of the AcAc tracer and analyte. We describe the implementation of a two-pool model using a metabolic flux analysis (MFA) approach that simultaneously regresses liquid chromatography-tandem mass spectrometry (LC-MS/MS) ketone isotopologues and tracer infusion rates. Additionally, 1H NMR real-time reaction monitoring was used to evaluate AcAc tracer and analyte stability during infusion and sample analysis, which were critical for accurate flux calculations. The approach quantifies AcAc and BHB pool sizes and their rates of appearance, disposal, and exchange. Regression analysis provides confidence intervals and detects potential errors in experimental data. Complications for the physiological interpretation of individual ketone fluxes are discussed.
Review of Microfluidic Methods for Cellular Lysis
Authors: Grigorov Emil , Kirov Boris , Marinov Marin B. , Galabov Vassil
Published: April 2021

Cell lysis is a process in which the outer cell membrane is broken to release intracellular constituents in a way that important information about the DNA or RNA of an organism can be obtained. This article is a thorough review of reported methods for the achievement of effective cellular boundaries disintegration, together with their technological peculiarities and instrumental requirements. The different approaches are summarized in six categories: chemical, mechanical, electrical methods, thermal, laser, and other lysis methods. Based on the results derived from each of the investigated reports, we outline the advantages and disadvantages of those techniques. Although the choice of a suitable method is highly dependent on the particular requirements of the specific scientific problem, we conclude with a concise table where the benefits of every approach are compared, based on criteria such as cost, efficiency, and difficulty.
3D Manufacturing of Glass Microstructures Using Femtosecond Laser
Authors: Butkutė Agnė , Jonušauskas Linas
Published: April 2021

The rapid expansion of femtosecond (fs) laser technology brought previously unavailable capabilities to laser material processing. One of the areas which benefited the most due to these advances was the 3D processing of transparent dielectrics, namely glasses and crystals. This review is dedicated to overviewing the significant advances in the field. First, the underlying physical mechanism of material interaction with ultrashort pulses is discussed, highlighting how it can be exploited for volumetric, high-precision 3D processing. Next, three distinct transparent material modification types are introduced, fundamental differences between them are explained, possible applications are highlighted. It is shown that, due to the flexibility of fs pulse fabrication, an array of structures can be produced, starting with nanophotonic elements like integrated waveguides and photonic crystals, ending with a cm-scale microfluidic system with micro-precision integrated elements. Possible limitations to each processing regime as well as how these could be overcome are discussed. Further directions for the field development are highlighted, taking into account how it could synergize with other fs-laser-based manufacturing techniques.
Doped or Quantum-Dot Layers as In Situ Etch-Stop Indicators for III/V Semiconductor Reactive Ion Etching (RIE) Using Reflectance Anisotropy Spectroscopy (RAS)
Authors: Sombrio Guilherme , Oliveira Emerson , Strassner Johannes , Richter Johannes , Doering Christoph , Fouckhardt Henning
Published: April 2021

Reflectance anisotropy spectroscopy (RAS), which was originally invented to monitor epitaxial growth, can—as we have previously shown—also be used to monitor the reactive ion etching of III/V semiconductor samples in situ and in real time, as long as the etching rate is not too high and the abrasion at the etch front is not totally chaotic. Moreover, we have proven that—using RAS equipment and optical Fabry‒Perot oscillations due to the ever-shrinking thickness of the uppermost etched layer—the in situ etch-depth resolution can be as good as ±0.8 nm, employing a Vernier-scale type measurement and evaluation procedure. Nominally, this amounts to ±1.3 lattice constants in our exemplary material system, AlGaAsSb, on a GaAs or GaSb substrate. In this contribution, we show that resolutions of about ±5.6 nm can be reliably achieved without a Vernier scale protocol by employing thin doped layers or sharp interfaces between differently doped layers or quantum-dot (QD) layers as etch-stop indicators. These indicator layers can either be added to the device layer design on purpose or be part of it incidentally due to the functionality of the device. For typical etch rates in the range of 0.7 to 1.3 nm/s (that is, about 40 to 80 nm/min), the RAS spectrum will show a distinct change even for very thin indicator layers, which allows for the precise termination of the etch run.
Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype
Authors: Makbul Cihan , Khayenko Vladimir , Maric Hans Michael , Böttcher Bettina
Published: April 2021

Hepatitis B virus is a major human pathogen, which forms enveloped virus particles. During viral maturation, membrane-bound hepatitis B surface proteins package hepatitis B core protein capsids. This process is intercepted by certain peptides with an “LLGRMKG” motif that binds to the capsids at the tips of dimeric spikes. With microcalorimetry, electron cryo microscopy and peptide microarray-based screens, we have characterized the structural and thermodynamic properties of peptide binding to hepatitis B core protein capsids with different secretion phenotypes. The peptide “GSLLGRMKGA” binds weakly to hepatitis B core protein capsids and mutant capsids with a premature (F97L) or low-secretion phenotype (L60V and P5T). With electron cryo microscopy, we provide novel structures for L60V and P5T and demonstrate that binding occurs at the tips of the spikes at the dimer interface, splaying the helices apart independent of the secretion phenotype. Peptide array screening identifies “SLLGRM” as the core binding motif. This shortened motif binds only to one of the two spikes in the asymmetric unit of the capsid and induces a much smaller conformational change. Altogether, these comprehensive studies suggest that the tips of the spikes act as an autonomous binding platform that is unaffected by mutations that affect secretion phenotypes.
Effect of Gut Microbiota Biotransformation on Dietary Tannins and Human Health Implications
Authors: Sallam Ibrahim E. , Abdelwareth Amr , Attia Heba , Aziz Ramy K. , Homsi Masun Nabhan , von Bergen Martin , Farag Mohamed A.
Published: April 2021

Tannins represent a heterogeneous group of high-molecular-weight polyphenols that are ubiquitous among plant families, especially in cereals, as well as in many fruits and vegetables. Hydrolysable and condensed tannins, in addition to phlorotannins from marine algae, are the main classes of these bioactive compounds. Despite their low bioavailability, tannins have many beneficial pharmacological effects, such as anti-inflammatory, antioxidant, antidiabetic, anticancer, and cardioprotective effects. Microbiota-mediated hydrolysis of tannins produces highly bioaccessible metabolites, which have been extensively studied and account for most of the health effects attributed to tannins. This review article summarises the effect of the human microbiota on the metabolism of different tannin groups and the expected health benefits that may be induced by such mutual interactions. Microbial metabolism of tannins yields highly bioaccessible microbial metabolites that account for most of the systemic effects of tannins. This article also uses explainable artificial intelligence to define the molecular signatures of gut-biotransformed tannin metabolites that are correlated with chemical and biological activity. An understanding of microbiota–tannin interactions, tannin metabolism-related phenotypes (metabotypes) and chemical tannin-metabolites motifs is of great importance for harnessing the biological effects of tannins for drug discovery and other health benefits.
Iron Isotope Compositions of Coexisting Sulfide and Silicate Minerals in Sudbury-Type Ores from the Jinchuan Ni-Cu Sulfide Deposit: A Perspective on Possible Core-Mantle Iron Isotope Fractionation
Authors: Wang Peiyao , Niu Yaoling , Sun Pu , Wang Xiaohong , Guo Pengyuan , Gong Hongmei , Duan Meng , Shen Fangyu , Shi Yining , Xue Song , Chen Yanhong , Shan Li
Published: April 2021

Many studies have shown that the average iron (Fe) isotope compositions of mantle-derived rocks, mantle peridotite and model mantle are close to those of chondrites. Therefore, it is considered that chondrite values represent the bulk Earth Fe isotope composition. However, this is a brave assumption because nearly 90% of Fe of the Earth is in the core, where its Fe isotope composition is unknown, but it is required to construct bulk Earth Fe isotope composition. We approach the problem by assuming that the Earth’s core separation can be approximated in terms of the Sudbury-type Ni-Cu sulfide mineralization, where sulfide-saturated mafic magmas segregate into immiscible sulfide liquid and silicate liquid. Their density/buoyancy controlled stratification and solidification produced net-textured ores above massive ores and below disseminated ores. The coexisting sulfide minerals (pyrrhotite (Po) > pentlandite (Pn) > chalcopyrite (Cp)) and silicate minerals (olivine (Ol) > orthopyroxene (Opx) > clinopyroxene (Cpx)) are expected to hold messages on Fe isotope fractionation between the two liquids before their solidification. We studied the net-textured ores of the Sudbury-type Jinchuan Ni-Cu sulfide deposit. The sulfide minerals show varying δ56Fe values (−1.37–−0.74‰ (Po) < 0.09–0.56‰ (Cp) < 0.53–1.05‰ (Pn)), but silicate minerals (Ol, Opx, and Cpx) have δ56Fe values close to chondrites (δ56Fe = −0.01 ± 0.01‰). The heavy δ56Fe value (0.52–0.60‰) of serpentines may reflect Fe isotopes exchange with the coexisting pyrrhotite with light δ56Fe. We obtained an equilibrium fractionation factor of Δ56Fesilicate-sulfide ≈ 0.51‰ between reconstructed silicate liquid (δ56Fe ≈ 0.21‰) and sulfide liquid (δ56Fe ≈ −0.30‰), or Δ56Fesilicate-sulfide ≈ 0.36‰ between the weighted mean bulk-silicate minerals (δ56Fe[0.70ol,0.25opx,0.05cpx] = 0.06‰) with weighted mean bulk-sulfide minerals (δ56Fe ≈ −0.30‰). Our study indicates that significant Fe isotope fractionation does take place between silicate and sulfide liquids during the Sudbury-type sulfide mineralization. We hypothesize that significant iron isotope fractionation must have taken place during core–mantle segregation, and the bulk Earth may have lighter Fe isotope composition than chondrites although Fe isotope analysis on experimental sulfide-silicate liquids produced under the varying mantle depth conditions is needed to test our results. We advocate the importance of further research on the subject. Given the close Fe-Ni association in the magmatic mineralization and the majority of the Earth’s Ni is also in the core, we infer that Ni isotope fractionation must also have taken place during the core separation that needs attention.
Jurassic Igneous Activity in the Yuseong Area on the Southern Margin of the Gyeonggi Massif, Korean Peninsula, and Its Implications for the Tectonic Evolution of Northeast Asia during the Jurassic
Authors: Lee Seung Hwan , Oh Chang Whan , Jung Soolim
Published: April 2021

Jurassic dioritic to granitic igneous rocks extensively intrude into the southern Korean Peninsula, including the Yuseong area located at the boundary between the southern margin of the Gyeonggi Massif and the northern margin of the Okcheon Belt. In this study, the petrogenesis and sources of Jurassic igneous rocks in the Yuseong area were investigated. The U–Pb zircon age data from the Jurassic plutonic rocks in the Yuseong area give two igneous ages, ca. 178–177 Ma and 169–168 Ma, indicating that two stages of igneous activity occurred in the Yuseong area during the Jurassic. The geochemical characteristics of Jurassic diorites indicate that they originated from enriched mid-ocean ridge basalt (E-MORB; Nb/Yb = 5.63–7.27; Zr/Yb = 118–156). The enriched Th/Yb ratios (5.5–8.0) in the diorites imply that they experienced crustal contamination during magma ascent. The Jurassic granitoids in the Yuseong area are divided into I- and S-type granites. The Jurassic I-type granitoids may have formed via the partial melting of mafic rocks with mixtures of 10–40% pelite-derived melt, while the S-type granites originated from felsic pelite. The Jurassic diorites have low Nb/Th ratios with depletion of the Nb and Ta components, indicating that they formed in a volcanic arc tectonic environment. On the other hand, the Jurassic granitoids show two different tectonic environments: a volcanic arc, and a syncollisional environment. The granites with syncollisional character are S-type granites, and may give incorrect information about tectonic setting because of the changes in the trace elements of the S-type granite due to fractional crystallization. Early Jurassic (200–190 Ma) igneous rocks are distributed only in the southeastern Korean Peninsula, including the Yeongnam Massif; Jurassic igneous rocks formed at ca. 190–180 Ma occur mainly in the Okcheon Belt and southern Gyeonggi Massif, which includes the Yuseong area. Middle Jurassic igneous rocks widely intruded from the Okcheon Belt, through the Gyeonggi and Nangrim massifs in the Korean Peninsula, to the Liaoning area in the North China Craton at 180–160 Ma. This distribution pattern of the Jurassic granitoids suggests that flat subduction started after 180 Ma in Northeast Asia.
Influence of Muscovite (001) Surface Nanotopography on Radionuclide Adsorption Studied by Kinetic Monte Carlo Simulations
Authors: Schabernack Jonas , Kurganskaya Inna , Fischer Cornelius , Luttge Andreas
Published: April 2021

Mechanistic understanding and prediction of solute adsorption from fluids onto mineral surfaces is relevant for many natural and technical processes. Mineral surfaces in natural systems are often exposed to fluids at non-equilibrium conditions resulting in surface dissolution reactions. Such reactions cause the formation of surface nanotopography and, consequently, the exposure of different types of surface atoms. The quantitative effect of nanotopography on the efficiency of adsorption reactions at crystal surfaces is not known. Using kinetic Monte Carlo simulations, we combined a model of muscovite (001) face dissolution with a consequent model of radionuclide adsorption on the rough mineral surface. The model considers three different adsorption sites based on the muscovite surface cations: silicon, tetrahedral, and octahedral aluminum. Two different nanotopography configurations are investigated, both showing similar adsorption behavior. Octahedral aluminum surface atoms defined by having the highest reactivity toward adsorption are exposed solely on steps and pits on the muscovite (001) face. Thus, their availability directly depends on the surface nanotopography. The model results show the need for a more precise parameterization of surface site-specific adsorption, taking into account the coordination of the involved surface cation such as kink, step, or terrace sites.
Comparative Life Cycle Assessment of Cellulose Nanofibres Production Routes from Virgin and Recycled Raw Materials
Authors: Gallo Stampino Paola , Riva Laura , Punta Carlo , Elegir Graziano , Bussini Daniele , Dotelli Giovanni
Published: April 2021

Nanocellulose-based materials are attracting an increasing interest for the positive role they could play in sustainable development; being originated from renewable resources. Moreover, cellulose has a high potential of recycling from both post-consumer waste and industrial waste. Both factors, i.e., recyclability and renewable resources; results are also extremely favourable in the perspective of circular economy. Despite all these positive aspects, an industrial production has yet to start. At the lab scale, many preparation methods of cellulose nanofibres (CNF) are available; here, the three most common are analysed: (1) enzymatic pre-treatment followed by homogenisation (ENZHO), (2) oxidative pre-treatment combined with homogenisation (TOHO) or (3) oxidative pre-treatment followed by sonication (TOSO). All three processes have been experimentally carried out starting from both virgin and recycled cellulose from industrial waste sludge. The environmental sustainability of these three routes is estimated by the Life Cycle Assessment (LCA) using experimental lab scale data. In this scenario, the comparative LCA has pointed out a superior performance of the ENZHO process, followed by TOHO and, lastly, by TOSO. The influence of energy consumption on the final results has been further investigated by a sensitivity analysis, showing that the TOHO and TOSO routes could reach similar performances by scaling-up the process from the laboratory. The different typology of CNF obtained by conducting the ENZHO process with respect to the TEMPO-mediated oxidation approach is also outlined as an additional element to be considered for the final selection of a suitable process.
Synthesis of Bis-Terpyridine-Based Metallopolymers and the Thermoelectric Properties of Their Single Walled Carbon Nanotube Composites
Authors: Li Jiahua , Guo Zeling , Xu Linli , Wong Wai-Yeung
Published: April 2021

Although the organic and the conventional inorganic thermoelectric (TE) materials have been extensively developed in recent years, the number of cases involving conducting metallopolymers is still quite limited. In view of the versatile coordination capability of the terpyridine fraction and the electron-rich nature of the 3,4-ethylenedioxythiophene moiety, a bis-terpyridine-featured ligand was designed, and a series of metallopolymers were then synthesized. Upon the addition of single-walled carbon nanotube (SWCNT), the TE properties of the resulting metallopolymer-SWCNT composite films were investigated. It was found that metal centres played an important role in affecting the morphology of the thin films, which was a key factor that determined the TE performances of the composites. Additionally, the energy levels of the metallopolymers were feasibly tuned by selecting different metal centres. With the combined effects of a uniform and condensed surface and an optimized band structure, the highest power factor was achieved by the Cu(II)-containing metallopolymer-SWCNT composite at the doping ratio of 75%, which reached 38.3 μW·m−1·K−2.
Cyan-Emitting Cu(I) Complexes and Their Luminescent Metallopolymers
Authors: Ferrari Federico , Braun Jonas , Anson Christopher E. , Wilts Bodo D. , Moatsou Dafni , Bizzarri Claudia
Published: April 2021

Copper complexes have shown great versatility and a wide application range across the natural and life sciences, with a particular promise as organic light-emitting diodes. In this work, four novel heteroleptic Cu(I) complexes were designed in order to allow their integration in advanced materials such as metallopolymers. We herein present the synthesis and the electrochemical and photophysical characterisation of these Cu(I) complexes, in combination with ab initio calculations. The complexes present a bright cyan emission (λem ~ 505 nm) in their solid state, both as powder and as blends in a polymer matrix. The successful synthesis of metallopolymers embedding two of the novel complexes is shown. These copolymers were also found to be luminescent and their photophysical properties were compared to those of their polymer blends. The chemical nature of the polymer backbone contributes significantly to the photoluminescence quantum yield, paving a route for the strategic design of novel luminescent Cu(I)-based polymeric materials.
Characterization of Food Packaging Films with Blackcurrant Fruit Waste as a Source of Antioxidant and Color Sensing Intelligent Material
Authors: Kurek Mia , Benbettaieb Nasreddine , Ščetar Mario , Chaudy Eliot , Repajić Maja , Klepac Damir , Valić Srećko , Debeaufort Frédéric , Galić Kata
Published: April 2021

Chitosan and pectin films were enriched with blackcurrant pomace powder (10 and 20% (w/w)), as bio-based material, to minimize food production losses and to increase the functional properties of produced films aimed at food coatings and wrappers. Water vapor permeability of active films increased up to 25%, moisture content for 27% in pectin-based ones, but water solubility was not significantly modified. Mechanical properties (tensile strength, elongation at break and Young’s modulus) were mainly decreased due to the residual insoluble particles present in blackcurrant waste. FTIR analysis showed no significant changes between the film samples. The degradation temperatures, determined by DSC, were reduced by 18 °C for chitosan-based samples and of 32 °C lower for the pectin-based samples with blackcurrant powder, indicating a disturbance in polymer stability. The antioxidant activity of active films was increased up to 30-fold. Lightness and redness of dry films significantly changed depending on the polymer type. Significant color changes, especially in chitosan film formulations, were observed after exposure to different pH buffers. This effect is further explored in formulations that were used as color change indicators for intelligent biopackaging.
Smell and Stress Response in the Brain: Review of the Connection between Chemistry and Neuropharmacology
Authors: Masuo Yoshinori , Satou Tadaaki , Takemoto Hiroaki , Koike Kazuo
Published: April 2021

The stress response in the brain is not fully understood, although stress is one of the risk factors for developing mental disorders. On the other hand, the stimulation of the olfactory system can influence stress levels, and a certain smell has been empirically known to have a stress-suppressing effect, indeed. In this review, we first outline what stress is and previous studies on stress-responsive biomarkers (stress markers) in the brain. Subsequently, we confirm the olfactory system and review previous studies on the relationship between smell and stress response by species, such as humans, rats, and mice. Numerous studies demonstrated the stress-suppressing effects of aroma. There are also investigations showing the effects of odor that induce stress in experimental animals. In addition, we introduce recent studies on the effects of aroma of coffee beans and essential oils, such as lavender, cypress, α-pinene, and thyme linalool on the behavior and the expression of stress marker candidates in the brain. The transfer of volatile components into the brain is also discussed while using the results of thyme linalool as an example. These studies may provide a good opportunity to connect chemical research at the molecular level with neuropharmacological approaches in the future.
Survey of Phenolic Acids, Flavonoids and In Vitro Antioxidant Potency Between Fig Peels and Pulps: Chemical and Chemometric Approach
Authors: Hssaini Lahcen , Hernandez Francisca , Viuda-Martos Manuel , Charafi Jamal , Razouk Rachid , Houmanat Karim , Ouaabou Rachida , Ennahli Said , Elothmani Driss , Hmid Ilham , Fauconnier Marie Laure , Hanine Hafida
Published: April 2021

In the present study, chromatic coordinates, phenolic acids, flavonoids and antioxidant capacity assessed by 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonate (ABTS) and lipid peroxidation inhibition capacity (LPIC) essays and their relative IC50 were investigated in 25 fig cultivars growing in Morocco. The aims of this study were to determine (i) the variation in these compounds among light and dark-colored cultivars, (ii) their partitioning between fruit peel and pulp and (iii) to display network connections among these variables. Twelve phenolic compounds (PCs) were isolated in peel extract versus eight in pulp samples. Anthocyanins, mainly cyanidin-3,5-diglucoside and cyanidin-3-O-rutinoside, were the predominant compounds in peels, where the mean concentrations were 75.90 ± 18.76 and 77.97 ± 18.95 µg/g dw, respectively. On the other hand, (−)-epicatechin and cyanidin-3-O-rutinoside were the major compounds in the pulp extracts, where the mean values were 5.23 ± 4.03 and 9.01 ± 5.67 µg/g dw, respectively. A two-dimensional hierarchically clustered heatmap was applied to the dataset to explore correlations in the dataset and similarities between cultivars, without dimensionality reduction. Results showed that anthocyanins, particularly pelargonidin-3-O-rutinoside, cyanidin-3,5-diglucoside and cyanidin-3-O-rutinoside, were the main contributors to the peels’ free radical scavenging capacity. This capacity was particularly higher in the peel of dark-colored figs compared to the fruit pulp. The local cultivar “INRA 1301” showed the most promising phenolic profile due to its very high levels of almost all detected PCs, especially (−)-epicatechin, quercetin-3-O-rutinoside, quercetin-3-O-glucoside, cyanidine-3,5-diglucoside, cyanidine-3-O-rutinoside and pelargonidin-3-O-rutinoside (54.66, 141.08, 35.48, 494.08, 478.66, 12.56 µg/g dw, respectively). Having the darkest figs in the collection (L* = 25.72, c* = 22.09 and h° = 20.99), this cultivar has also combined promising IC50 values, which were of 19.85, 40.58 and 124.78 µg/mL for DPPH, ABTS and LPIC essays, respectively.