bluuebunny/crossref_metadata_2025 huggingface dataset:
Observer-Based Control of Tilting-Pad Thrust Bearings
Authors: Smith Edward H.
Published: January 2022

The active control of hydrodynamic bearings is beginning to receive more attention in the pursuit of lower power losses and reduced maintenance. This paper presents a method by which, from simple measurements, rich information can be deduced from a running bearing that can used to modify the operating parameters of the unit. The bearing is a line-pivot, unidirectional, steadily loaded, directly lubricated tilting pad thrust bearing. This control is achieved by designing an Observer whose inputs include the output measurement(s) from the bearing. The Observer is, in some ways, an inverse model of the bearing (or Plant) that runs in parallel to the bearing and estimates the states of the bearing, such as the applied load, pivot height, minimum film thickness, maximum temperature, effective temperature and power loss. These estimated parameters can then be used in a control algorithm to modify bearing parameters such as inlet temperature or pivot location. It is demonstrated that disturbances in the load on the bearing can be detected simply by measuring a representative temperature in the bearing or changes in pivot height. Appropriate corrective action can then be employed. Whilst only steady-state operation is considered, the method could be developed to study time-varying situations.
Preparation, Characterization of Granulated Sulfur Fertilizers and Their Effects on a Sandy Soils
Authors: Lisowska Aneta , Filipek-Mazur Barbara , Sołtys Józef , Niemiec Marcin , Gorczyca Olga , Bar-Michalczyk Dominika , Komorowska Monika , Gródek-Szostak Zofia , Szeląg-Sikora Anna , Sikora Jakub , Kuboń Maciej
Published: January 2022

There is a potential for using sulfur waste in agriculture. The main objective of this study was to design a granular fertilizer based on waste elemental sulfur. Humic acids and halloysite were used to improve the properties and their influence on soil properties. This is the first report on the use of proposed materials for fertilizer production. The following granular fertilizers were prepared (the percentage share of component weight is given in brackets): fertilizer A (waste sulfur (95%) + halloysite (5%)), fertilizer B (waste sulfur (81%) + halloysite (5%) + humic acids (14%)), fertilizer C (waste sulfur (50%) + halloysite (50%)) and fertilizer D (waste sulfur (46%) + halloysite (46%) + humic acids (8%)). Basic properties of the obtained granulates were determined. Furthermore, the effect of the addition of the prepared fertilizers on soil pH, electrolytic conductivity, and sulfate content was examined in a 90-day incubation experiment. Enrichment with humic acids and the higher amount of halloysite increased the fertilizer properties (especially the share of larger granules and bulk density). In addition, it stabilized soil pH and increased the sulfur content (extracted with 0.01 mol·L−1 CaCl2 and Mehlich 3) in the soil.
Influence of Isostatic Pressure on the Elastic and Electronic Properties of K2SiF6:Mn4+
Authors: Subhoni Mekhrdod , Zafari Umar , Ma Chong-Geng , Srivastava Alok M. , Beers William W. , Cohen William E. , Brik Mikhail G. , Piasecki Michal , Yamamoto Tomoyuki
Published: January 2022

Isostatic pressure effects on the elastic and electronic properties of non-doped and Mn4+-doped K2SiF6 (KSF) have been investigated by first-principles calculations within density functional theory (DFT). Bulk modulus was obtained by the Murnaghan’s equation of states (EOS) using the relationship between volume and pressures at pressures between 0 and 40 GPa, and elastic constants were calculated by the stress–strain relationship giving small distortions at each pressure point. The other elastic parameters such as shear modulus, sound velocity and Debye temperature, which can be obtained from the elastic constants, were also estimated. The influence of external isostatic pressure on the electronic properties, such as crystal field strength 10Dq and emission energy of 2E → 4A2 transition (Eem), of KSF:Mn4+ was also studied. The results suggest that 10Dq and Eem linearly increase and decrease, respectively, with increasing pressure.
Study on Black Phosphorus Characteristics Using a Two-Step Thinning Method
Authors: Lu Qin , Li Xiaoyang , Chen Haifeng , Jia Yifan , Liu Tengfei , Liu Xiangtai , Wang Shaoqing , Fu Jiao , Chen Daming , Zhang Jincheng , Hao Yue
Published: January 2022

A mild two-step method of black phosphorus (BP) flake thinning was demonstrated in this article. Slight ultraviolet–ozone (UVO) radiation followed by an argon plasma treatment was employed to oxidize mechanically exfoliated BP flakes and remove the surface remains of previous ozone treatment. The annealing process introduced aims to reduce impurities and defects. Low damage and efficient electronic devices were fabricated in terms of controlling the thickness of BP flakes through this method. These results lead to an important step toward the fabrication of high-performance devices based on two-dimensioned materials.
Magnetic Recording Method (MRM) for Nondestructive Evaluation of Ferromagnetic Materials
Authors: Chady Tomasz , Łukaszuk Ryszard D. , Gorący Krzysztof , Żwir Marek J.
Published: January 2022

This paper proposes and experimentally investigates a novel nondestructive testing method for ferromagnetic elements monitoring, the Magnetic Recording Method (MRM). In this method, the inspected element must be magnetized in a strictly defined manner before operation. This can be achieved using an array of permanent magnets arranged to produce a quasi-sinusoidal magnetization path. The magnetic field caused by the original residual magnetization of the element is measured and stored for future reference. After the operation or loading, the magnetic field measurement is repeated. Analysis of relative changes in the magnetic field (for selected components) allows identifying applied stress. The proposed research methodology aims to provide information on the steel structure condition unambiguously and accurately. An interpretation of the results without referring to the original magnetization is also possible but could be less accurate. The method can be used as a standard technique for NDT (Non-Destructive Testing) or in structural health monitoring (SHM) systems.
Using Fly Ash Wastes for the Development of New Building Materials with Improved Compressive Strength
Authors: Harja Maria , Teodosiu Carmen , Isopescu Dorina Nicolina , Gencel Osman , Lutic Doina , Ciobanu Gabriela , Cretescu Igor
Published: January 2022

Fly ash wastes (silica, aluminum and iron-rich materials) could be smartly valorized by their incorporation in concrete formulation, partly replacing the cement. The necessary binding properties can be accomplished by a simple procedure: an alkali activation process, involving partial hydrolysis, followed by gel formation and polycondensation. The correlations between the experimental fly ash processing conditions, particle characteristics (size and morphology) and the compressive strength values of the concrete prepared using this material were investigated by performing a parametric optimization study to deduce the optimal processing set of conditions. The alkali activation procedure included the variation of the NaOH solutions concentration (8–12 M), temperature values (25–65 °C) and the liquid/solid ratio (1–3). The activation led to important modifications of the crystallography of the samples (shown by powder XRD analysis), their morphologies (seen by SEM), particle size distribution and Blaine surface values. The values of the compressive strength of concrete prepared using fly ash derivatives were between 16.8–22.6 MPa. Thus, the processed fly ash qualifies as a proper potential building material, solving disposal-associated problems, as well as saving significant amounts of cement consumed in concrete formulation.
A Concise Binomial Model for Nonlinear Creep-Fatigue Crack Growth Behavior at Elevated Temperatures
Authors: Mao Jianxing , Xiao Zhixing , Hu Dianyin , Guo Xiaojun , Wang Rongqiao
Published: January 2022

The creep-fatigue crack growth problem remains challenging since materials exhibit different linear and nonlinear behaviors depending on the environmental and loading conditions. In this paper, we systematically carried out a series of creep-fatigue crack growth experiments to evaluate the influence from temperature, stress ratio, and dwell time for the nickel-based superalloy GH4720Li. A transition from coupled fatigue-dominated fracture to creep-dominated fracture was observed with the increase of dwell time at 600 °C, while only the creep-dominated fracture existed at 700 °C, regardless of the dwell time. A concise binomial crack growth model was constructed on the basis of existing phenomenal models, where the linear terms are included to express the behavior under pure creep loading, and the nonlinear terms were introduced to represent the behavior near the fracture toughness and during the creep-fatigue interaction. Through the model implementation and validation of the proposed model, the correlation coefficient is higher than 0.9 on ten out of twelve sets of experimental data, revealing the accuracy of the proposed model. This work contributes to an enrichment of creep-fatigue crack growth data in the typical nickel-based superalloy at elevated temperatures and could be referable in the modeling for damage tolerance assessment of turbine disks.
Investigation of the Damping Capacity of CFRP Raft Frames
Authors: Zhang Jinguang , Rao Jun , Ma Lei , Wen Xianglong
Published: January 2022

In this paper, based on the composite laminated plate theory and a strain energy model, the damping capacity of a Carbon Fiber Reinforced Plastics (CFRP) raft frame was studied. According to the finite element analysis (FEA) and damping ratio prediction model, the influences of different layups on the damping capacity of the raft frame and its components (top/bottom plate and I-support) were discussed. Comparing the FEA results with the test results, it can be figured out that the CFRP laminate layup has a great influence on the damping ratio of the raft frame, and the maximum error of the first-order natural frequency and damping ratio of the top/bottom plate were 5.6% and 15.1%, respectively. The maximum error of the first-order natural frequency of the I-support between the FEA result and the test result was 7.5%, suggesting that because of the stress concentration, the error of the damping ratio was relatively large. As for the raft frame, the damping performance was affected by the I-support arrangement and the simulation analysis was in good agreement with the experimental results. This study can provide a useful reference for improving the damping performance of CFRP raft frames.
Structure and Crystallization of High-Calcium, CMAS Glass Ceramics Synthesized with a High Content of Slag
Authors: Chen Lishun , Long Yuting , Zhou Mingkai , Wang Huaide
Published: January 2022

In this work, more than 70 wt % of ferromanganese slag (containing 40 wt % CaO) was used to synthesize high-calcium, CaO-MgO-Al2O3-SiO2 (CMAS) glass ceramics. The effect of SiO2/CaO on the structure, crystallization behavior and microstructure of high-calcium, CMAS, slag glass ceramics was studied by IR, NMR, DSC, XRD and SEM. The results showed that in the high-calcium, CMAS glass ceramics, the main existing forms of silicon–oxygen tetrahedra (Qn) were Q0 and Q1. With the increase in the SiO2/CaO, Qn changed from Q0 and Q1 (main units) to Q1 (main units) and Q2, and then to Q1 and Q2 (main units). The polymerization degree of Qn changed from low to high, making the glass more stable, which led to the increase in crystallization temperature and the decrease in crystallization kinetic constant (k) and frequency factor (υ). At the same time, the change in the Qn structure resulted in a gradual change to the main crystal, from akermanite to diopside–wollastonite.
Analytical Determination of the Bending Stiffness of a Five-Layer Corrugated Cardboard with Imperfections
Authors: Garbowski Tomasz , Knitter-Piątkowska Anna
Published: January 2022

Bending stiffness (BS) is one of the two most important mechanical parameters of corrugated board. The second is edge crush resistance (ECT). Both are used in many analytical formulas to assess the load capacity of corrugated cardboard packaging. Therefore, the correct determination of bending stiffness is crucial in the design of corrugated board structures. This paper focuses on the analytical determination of BS based on the known parameters of the constituent papers and the geometry of the corrugated layers. The work analyzes in detail the dependence of the bending stiffness of an asymmetric, five-layer corrugated cardboard on the sample arrangement. A specimen bent so that the layers on the lower wave side are compressed has approximately 10% higher stiffness value. This is due to imperfections, which are particularly important in the case of compression of very thin liners. The study showed that imperfection at the level of a few microns causes noticeable drops in bending stiffness. The method has also been validated by means of experimental data from the literature and simple numerical finite element model (FEM). The obtained compliance of the computational model with the experimental model is very satisfactory. The work also included a critical discussion of the already published data and observations of other scientists in the field.
New Tripeptide Derivatives Asterripeptides A–C from Vietnamese Mangrove-Derived Fungus Aspergillus terreus LM.5.2
Authors: Girich Elena , Rasin Anton , Popov Roman , Yurchenko Ekaterina , Chingizova Ekaterina , Trinh Phan , Ngoc Ngo , Pivkin Mikhail , Zhuravleva Olesya , Yurchenko Anton
Published: January 2022

Three new tripeptide derivatives asterripeptides A–C (1–3) were isolated from Vietnamese mangrove-derived fungus Aspergillus terreus LM.5.2. Structures of isolated compounds were determined by a combination of NMR and ESIMS techniques. The absolute configurations of all stereocenters were determined using the Murfey’s method. The isolated compounds 1–3 contain a rare fungi cinnamic acid residue. The cytotoxicity of isolated compounds against several cancer cell lines and inhibition ability of sortase A from Staphylococcus aureus of asterripeptides A–C were investigated.
Different Metabolomic and Proteomic Profiles of Cerebrospinal Fluid in Ventricular and Lumbar Compartments in Relation to Leptomeningeal Metastases
Authors: Kwon Ji-Woong , Im Ji Hye , Lee Kyue-Yim , Yoo Byong Chul , Lee Jun Hwa , Kim Kyung-Hee , Kim Jong Heon , Shin Sang Hoon , Yoo Heon , Gwak Ho-Shin
Published: January 2022

The different molecular profiles of cerebrospinal fluid (CSF) between ventricular and lumbar compartments remain elusive, especially in the context of leptomeningeal metastasis (LM), which affects CSF flow. We evaluated CSF metabolomic and proteomic profiles based on the compartments and the diagnosis of spinal LM, proved by MRI from 20 paired ventricular and lumbar CSF samples of LM patients, including 12 spinal LM (+) samples. In metabolome analysis, 9512 low-mass ions (LMIs) were identified—7 LMIs were abundant in all lumbar versus paired ventricular CSF samples, and 3 LMIs were significantly abundant in all ventricular CSF. In comparisons between spinal LM (+) CSF and LM (−) CSF, 105 LMIs were discriminative for spinal LM (+) CSF. In proteome analysis, a total of 1536 proteins were measured. A total of 18 proteins, including complement C3, were more highly expressed in all lumbar CSF, compared with paired ventricular CSF, while 82 proteins, including coagulation factor V, were higher in the ventricular CSF. Of 37 discriminative proteins, including uteroglobin and complement component C8 gamma chain, 4 were higher in all spinal LM (+) CSF versus spinal LM (−) CSF. We further evaluated metabolic pathways associated with these discriminative proteins using the Gene Ontology database. We found that 16/17 spinal LM (+) pathways, including complement activation, were associated with lumbar discriminative proteins, whereas only 2 pathways were associated with ventricular-discriminative proteins. In conclusion, we determined that metabolite and protein profiles differed between paired lumbar and ventricular CSF samples. The protein profiles of spinal LM (+) CSF showed more similarity with the lumbar CSF than the ventricular CSF. Thus, we suggest that CSF LMIs and proteins could reflect LM disease activity and that LM-associated differences in CSF are more likely to be present in the lumbar compartment.
Comparison of a Standardized High-Fat Meal versus a High-Fat Meal Scaled to Body Mass for Measuring Postprandial Triglycerides: A Randomized Crossover Study
Authors: Keirns Bryant H. , Sciarrillo Christina M. , Hart Samantha M. , Emerson Sam R.
Published: January 2022

Post-meal triglycerides are an independent cardiovascular disease (CVD) risk factor, but the ideal high-fat meal formulation has yet to be standardized and is one challenge prohibiting widespread clinical adoption of postprandial triglyceride assessment. Two general approaches often used are giving individuals a high-fat meal scaled to body weight or a standardized high-fat meal containing a set fat bolus. A recent expert panel statement has endorsed the latter, specifying 75 g of fat as an appropriate fat dosage. Despite this recommendation, no study to date has tested whether there is a difference in postprandial triglycerides or if risk classification is affected based on these different approaches. We recruited 16 generally healthy individuals with roughly equal distribution among body mass index (BMI)class (n = 5–6/per BMI category) and sex (n = 2–3 M/F) within each BMI class. Each participant underwent two abbreviated fat tolerance tests separated by ~1 week: one with a scaled to body weight high-fat meal (9 kcal/kg; 70% fat) and a standardized meal containing 75 g of fat (70% fat). Fasting, 4 h, and absolute change in triglycerides across the entire sample and within each BMI category were similar regardless of high-fat meal. Only one participant with obesity had discordant postprandial responses between the fat tolerance tests (i.e., different CVD risk classification). These findings suggest that, within a certain range of fat intake, generally healthy individuals will have a similar postprandial triglyceride response. Considering the greater convenience of utilizing standardized high-fat meals, our data suggest that a standardized high-fat meal may be acceptable for large-scale studies and clinical implementation.
Dynamic Modeling and Experimental Validation of a Water Hydraulic Soft Manipulator Based on an Improved Newton—Euler Iterative Method
Authors: Chen Yinglong , Sun Qiang , Guo Qiang , Gong Yongjun
Published: January 2022

Compared with rigid robots, soft robots have better adaptability to the environment because of their pliability. However, due to the lower structural stiffness of the soft manipulator, the posture of the manipulator is usually decided by the weight and the external load under operating conditions. Therefore, it is necessary to conduct dynamics modeling and movement analysis of the soft manipulator. In this paper, a fabric reinforced soft manipulator driven by a water hydraulic system is firstly proposed, and the dynamics of both the soft manipulator and hydraulic system are considered. Specifically, a dynamic model of the soft manipulator is established based on an improved Newton–Euler iterative method, which comprehensively considers the influence of inertial force, elastic force, damping force, as well as combined bending and torsion moments. The dynamics of the water hydraulic system consider the effects of cylinder inertia, friction, and water response. Finally, the accuracy of the proposed dynamic model is verified by comparing the simulation results with the experimental data about the steady and dynamic characteristics of the soft manipulator under various conditions. The results show that the maximum sectional error is about 0.0245 m and that the maximum cumulative error is 0.042 m, which validate the effectiveness of the proposed model.
Thermodynamic Modeling of Solvent-Assisted Lipid Bilayer Formation Process
Authors: Xu Hongmei , Tae Hyunhyuk , Cho Nam-Joon , Huang Changjin , Hsia K. Jimmy
Published: January 2022

The solvent-assisted lipid bilayer (SALB) formation method provides a simple and efficient, microfluidic-based strategy to fabricate supported lipid bilayers (SLBs) with rich compositional diversity on a wide range of solid supports. While various studies have been performed to characterize SLBs formed using the SALB method, relatively limited work has been carried out to understand the underlying mechanisms of SALB formation under various experimental conditions. Through thermodynamic modeling, we studied the experimental parameters that affect the SALB formation process, including substrate surface properties, initial lipid concentration, and temperature. It was found that all the parameters are critically important to successfully form high-quality SLBs. The model also helps to identify the range of parameter space within which conformal, homogeneous SLBs can be fabricated, and provides mechanistic guidance to optimize experimental conditions for lipid membrane-related applications.
Quality Prediction and Control in Wire Arc Additive Manufacturing via Novel Machine Learning Framework
Authors: Xiao Xinyi , Waddell Clarke , Hamilton Carter , Xiao Hanbin
Published: January 2022

Wire arc additive manufacturing (WAAM) is capable of rapidly depositing metal materials thus facilitating the fabrication of large-shape metal components. However, due to the multi-process-variability in the WAAM process, the deposited shape (bead width, height, depth of penetration) is difficult to predict and control within the desired level. Ultimately, the overall build will not achieve a near-net shape and will further hinder the part from performing its functionality without post-processing. Previous research primarily utilizes data analytical models (e.g., regression model, artificial neural network (ANN)) to forwardly predict the deposition width and height variation based on single or cross-linked process variables. However, these methods cannot effectively determine the optimal printable zone based on the desired deposition shape due to the inability to inversely deduce from these data analytical models. Additionally, the process variables are intercorrelated, and the bead width, height, and depth of penetration are highly codependent. Therefore, existing analysis cannot grant a reliable prediction model that allows the deposition (bead width, height, and penetration height) to remain within the desired level. This paper presents a novel machine learning framework for quantitatively analyzing the correlated relationship between the process parameters and deposition shape, thus providing an optimal process parameter selection to control the final deposition geometry. The proposed machine learning framework can systematically and quantitatively predict the deposition shape rather than just qualitatively as with other existing machine learning methods. The prediction model can also present the complex process-quality relations, and the determination of the deposition quality can guide the WAAM to be more prognostic and reliable. The correctness and effectiveness of the proposed quantitative process-quality analysis will be validated through experiments.
Insight into Saturated Hydraulic Conductivity of Cemented Paste Backfill Containing Polycarboxylate Ether-Based Superplasticizer
Authors: Haruna Sada , Fall Mamadou
Published: January 2022

Recycling of tailings in the form of cemented paste backfill (CPB) is a widely adopted practice in the mining industry. Environmental performance is an important design criterion of CPB structures. This environmental performance of CPB is strongly influenced by its saturated hydraulic conductivity (permeability). Superplasticizers are usually added to improve flowability, but there is a limited understanding of their influence on the hydraulic properties of the CPB. This paper presents new experimental results on the variations of the hydraulic conductivity of CPB containing polycarboxylate-based superplasticizer with different compositions and curing conditions. It is found that the hydraulic conductivity of the CPB decreases with the addition of superplasticizer, which is beneficial to its environmental performance. The reduction is largely attributable to the influence of the ether-based superplasticizer on particles mobility and cement hydration. Moreover, both curing temperature and time have correlations with the hydraulic conductivity of CPB containing superplasticizer. In addition, the presence of sulfate and partial replacement of PCI with blast furnace slag reduces the hydraulic conductivity. The variations are mainly due to the changes in the pore structure of the CPB. The new results discussed in this manuscript will contribute to the design of more environmental-friendly CPBs, which is essential for sustainable mining.
Presence of β-Turn Structure in Recombinant Spider Silk Dissolved in Formic Acid Revealed with NMR
Authors: Suzuki Yu , Higashi Takanori , Yamamoto Takahiro , Okamura Hideyasu , Sato Takehiro K. , Asakura Tetsuo
Published: January 2022

Spider dragline silk is a biopolymer with excellent mechanical properties. The development of recombinant spider silk protein (RSP)-based materials with these properties is desirable. Formic acid (FA) is a spinning solvent for regenerated Bombyx mori silk fiber with excellent mechanical properties. To use FA as a spinning solvent for RSP with the sequence of major ampullate spider silk protein from Araneus diadematus, we determined the conformation of RSP in FA using solution NMR to determine the role of FA as a spinning solvent. We assigned 1H, 13C, and 15N chemical shifts to 32-residue repetitive sequences, including polyAla and Gly-rich regions of RSP. Chemical shift evaluation revealed that RSP is in mainly random coil conformation with partially type II β-turn structure in the Gly-Pro-Gly-X motifs of the Gly-rich region in FA, which was confirmed by the 15N NOE data. In addition, formylation at the Ser OH groups occurred in FA. Furthermore, we evaluated the conformation of the as-cast film of RSP dissolved in FA using solid-state NMR and found that β-sheet structure was predominantly formed.
A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations
Authors: Dudev Todor , Cheshmedzhieva Diana , Dorkov Peter , Pantcheva Ivayla
Published: January 2022

The affinity of the polyether ionophore salinomycin to bind IA/IB metal ions was accessed using the Gibbs free energy of the competition reaction between SalNa (taken as a reference) and its rival ions: [M+-solution] + [SalNa] → [SalM] + [Na+-solution] (M = Li, K, Rb, Cs, Cu, Ag, Au). The DFT/PCM computations revealed that the ionic radius, charge density and accepting ability of the competing metal cations, as well as the dielectric properties of the solvent, have an influence upon the selectivity of salinomycin. The optimized structures of the monovalent metal complexes demonstrate the flexibility of the ionophore, allowing the coordination of one or two water ligands in SalM-W1 and SalM-W2, respectively. The metal cations are responsible for the inner coordination sphere geometry, with coordination numbers spread between 2 (Au+), 4 (Li+ and Cu+), 5/6 (Na+, K+, Ag+), 6/7 (Rb+) and 7/8 (Cs+). The metals’ affinity to salinomycin in low-polarity media follows the order of Li+ > Cu+ > Na+ > K+ > Au+ > Ag+ > Rb+ > Cs+, whereas some derangement takes place in high-dielectric environment: Li+ ≥ Na+ > K+ > Cu+ > Au+ > Ag+ > Rb+ > Cs+.
Effect of the Application Time of Accentuated Cut Edges (ACE) on Marquette Wine Phenolic Compounds
Authors: Cheng Yiliang , Savits Jennifer Rae , Watrelot Aude Annie
Published: January 2022

Cold-hardy interspecific hybrid grape varieties (Vitis spp.) have distinctive chemical compositions such as high acidity, a high content of anthocyanin diglucoside and a low condensed tannins content, compared to Vitis vinifera varieties. Considering the importance of phenolic compounds on the quality of red wine, a mechanical maceration technique, accentuated cut edges (ACE), has been evaluated when applied directly to crushed grapes (ACE-C), and 24 h before pressing (ACE-P), to improve the extraction of phenolic compounds. Samples were collected at crushing, bottling, and after five months of aging. Phenolic compounds and color characteristics of the wines were analyzed by high-performance liquid chromatography (HPLC) with diode array and fluorescence detectors and UV-Visible spectrophotometry. The color intensity, non-anthocyanin monomeric compounds and total iron-reactive phenolics content increased after applying ACE, compared to the control (CTL) after aging, and was significantly higher (37%) after ACE-C, compared to ACE-P. However, the concentration of condensed tannins was below the limit of detection in all the samples, indicating that ACE did not help their extraction or further interactions occurred with disrupted cell wall material. Applying ACE at crushing was considered as the optimum time to achieve a higher color stability in Marquette red wines.
Anti-α-Glucosidase and Antiglycation Activities of α-Mangostin and New Xanthenone Derivatives: Enzymatic Kinetics and Mechanistic Insights through In Vitro Studies
Authors: Djeujo Francine Medjiofack , Francesconi Valeria , Gonella Maddalena , Ragazzi Eugenio , Tonelli Michele , Froldi Guglielmina
Published: January 2022

Diabetes mellitus is characterized by chronic hyperglycemia that promotes ROS formation, causing severe oxidative stress. Furthermore, prolonged hyperglycemia leads to glycation reactions with formation of AGEs that contribute to a chronic inflammatory state. This research aims to evaluate the inhibitory activity of α-mangostin and four synthetic xanthenone derivatives against glycation and oxidative processes and on α-glucosidase, an intestinal hydrolase that catalyzes the cleavage of oligosaccharides into glucose molecules, promoting the postprandial glycemic peak. Antiglycation activity was evaluated using the BSA assay, while antioxidant capacity was detected with the ORAC assay. The inhibition of α-glucosidase activity was studied with multispectroscopic methods along with inhibitory kinetic analysis. α-Mangostin and synthetic compounds at 25 µM reduced the production of AGEs, whereas the α-glucosidase activity was inhibited only by the natural compound. α-Mangostin decreased enzymatic activity in a concentration-dependent manner in the micromolar range by a reversible mixed-type antagonism. Circular dichroism revealed a rearrangement of the secondary structure of α-glucosidase with an increase in the contents of α-helix and random coils and a decrease in β-sheet and β-turn components. The data highlighted the anti-α-glucosidase activity of α-mangostin together with its protective effects on protein glycation and oxidation damage.
Biocompatible Electrochemical Sensor Based on Platinum-Nickel Alloy Nanoparticles for In Situ Monitoring of Hydrogen Sulfide in Breast Cancer Cells
Authors: Panda Asit , Keerthi Murugan , Sakthivel Rajalakshmi , Dhawan Udesh , Liu Xinke , Chung Ren-Jei
Published: January 2022

Hydrogen sulfide (H2S), an endogenous gasotransmitter, is produced in mammalian systems and is closely associated with pathological and physiological functions. Nevertheless, the complete conversion of H2S is still unpredictable owing to the limited number of sensors for accurate and quantitative detection of H2S in biological samples. In this study, we constructed a disposable electrochemical sensor based on PtNi alloy nanoparticles (PtNi NPs) for sensitive and specific in situ monitoring of H2S released by human breast cancer cells. PtNi alloy NPs with an average size of 5.6 nm were prepared by a simple hydrothermal approach. The conversion of different forms of sulfides (e.g., H2S, HS−, and S2−) under various physiological conditions hindered the direct detection of H2S in live cells. PtNi NPs catalyze the electrochemical oxidation of H2S in a neutral phosphate buffer (PB, pH 7.0). The PtNi-based sensing platform demonstrated a linear detection range of 0.013–1031 µM and the limit of detection was 0.004 µM (S/N = 3). Moreover, the PtNi sensor exhibited a sensitivity of 0.323 μA μM−1 cm−2. In addition, the stability, repeatability, reproducibility, and anti-interference ability of the PtNi sensor exhibited satisfactory results. The PtNi sensor was able to successfully quantify H2S in pond water, urine, and saliva samples. Finally, the biocompatible PtNi electrode was effectively employed for the real-time quantification of H2S released from breast cancer cells and mouse fibroblasts.
Sustainable Green Nanotechnologies for Innovative Purifications of Water: Synthesis of the Nanoparticles from Renewable Sources
Authors: Bognár Szabolcs , Putnik Predrag , Šojić Merkulov Daniela
Published: January 2022

Polluting the natural water resources is a serious global issue, which is confirmed by the fact that today at least 2 billion people consume water from contaminated sources. The conventional wastewater treatment methods cannot effectively remove the persistent pollutants (e.g., drugs, organic dyes, pesticides) from the aqueous environment. Heterogeneous photocatalysis is a promising and sustainable alternative for water remediation. It is based on the interaction between light irradiation and the semiconductors (e.g., TiO2, ZnO) as photocatalysts, but these compounds, unfortunately, have some disadvantages. Hence, great attention has been paid to the nanotechnology as a possible way of improvement. Nanomaterials have extraordinary properties; however, their conventional synthesis is often difficult and requires a significant amount of dangerous chemicals. This concise topical review gives recent updates and trends in development of sustainable and green pathways in the synthesis of nanomaterials, as well as in their application for water remediation. In our review we put emphasis on the eco-friendly, mostly plant extract-based materials. The importance of this topic, including this study as well, is proved by the growing number of publications since 2018. Due to the current serious environmental issues (e.g., global warming, shortage of pure and quality water), it is necessary for the traditional TiO2 and ZnO semiconductors to be replaced with the harmless, non-toxic, and more powerful nanocomposites as photocatalysts. Not only because of their higher efficiency as compared to the bulk semiconductors, but also because of the presence of biomolecules that can add up to the pollutant removal efficiency, which has been already confirmed in many researches. However, despite the fact that the application of heterogeneous photocatalysis together with green nanotechnology is absolutely the future in water purification, there are some challenges which have to be overcome. The exact effects of the biomolecules obtained from plants in the synthesis of nanoparticles, as well as in the photocatalytic processes, are not exactly known and require further investigation. Furthermore, heterogeneous photocatalysis is a well-known and commonly examined process; however, its practical use outside the laboratory is expensive and difficult. Thus, it has to be simplified and improved in order to be available for everyone. The aim of our review is to suggest and prove that using these bio-inspired compounds it is possible to reduce human footprint in the nature.
Estimation of the Young’s Modulus of Nanometer-Thick Films Using Residual Stress-Driven Bilayer Cantilevers
Authors: Velosa-Moncada Luis A. , Raskin Jean-Pierre , Aguilera-Cortés Luz Antonio , López-Huerta Francisco , Herrera-May Agustín L.
Published: January 2022

Precise prediction of mechanical behavior of thin films at the nanoscale requires techniques that consider size effects and fabrication-related issues. Here, we propose a test methodology to estimate the Young’s modulus of nanometer-thick films using micromachined bilayer cantilevers. The bilayer cantilevers which comprise a well-known reference layer and a tested film deflect due to the relief of the residual stresses generated during the fabrication process. The mechanical relationship between the measured residual stresses and the corresponding deflections was used to characterize the tested film. Residual stresses and deflections were related using analytical and finite element models that consider intrinsic stress gradients and the use of adherence layers. The proposed methodology was applied to low pressure chemical vapor deposited silicon nitride tested films with thicknesses ranging from 46 nm to 288 nm. The estimated Young’s modulus values varying between 213.9 GPa and 288.3 GPa were consistent with nanoindentation and alternative residual stress-driven techniques. In addition, the dependence of the results on the thickness and the intrinsic stress gradient of the materials was confirmed. The proposed methodology is simple and can be used to characterize diverse materials deposited under different fabrication conditions.
Breakdown Performance and Partial Discharge Development in Transformer Oil-Based Metal Carbide Nanofluids
Authors: Koutras Konstantinos N. , Tegopoulos Sokratis N. , Charalampakos Vasilios P. , Kyritsis Apostolos , Gonos Ioannis F. , Pyrgioti Eleftheria C.
Published: January 2022

In this work, the influence of semi-conductive SiC nanoparticles on the AC breakdown voltage and partial discharge development in natural ester oil FR3 is examined. Primarily, the dielectric constant and the electrical conductivity of the nanoparticles are measured following the broadband dielectric spectroscopy technique. The nanoparticles are added into the matrix following the ultrasonication process in three weight percentage ratios in order for their effect to be evaluated as a function of their concentration inside the base oil. The processing of the results reveals that the nanofluid containing SiC nanoparticles at 0.004% w/w demonstrates the highest AC dielectric strength improvement and shows the greatest resistance to the appearance of partial discharge activity. The mechanisms behind the aforementioned results are discussed in detail and confirmed by the broadband dielectric spectroscopy technique, which reveals that this particular nanofluid sample is characterized by lower dielectric constant and electrical conductivity than the one with double the weight percentage ratio.
The Infiltration of Silver Nanoparticles into Porous Silicon for Improving the Performance of Photonic Devices
Authors: Ramadan Rehab , Martín-Palma Raúl J.
Published: January 2022

Hybrid nanostructures have a great potential to improve the overall properties of photonic devices. In the present study, silver nanoparticles (AgNPs) were infiltrated into nanostructured porous silicon (PSi) layers, aiming at enhancing the optoelectronic performance of Si-based devices. More specifically, Schottky diodes with three different configurations were fabricated, using Al/Si/Au as the basic structure. This structure was modified by adding PSi and PSi + AgNPs layers. Their characteristic electrical parameters were accurately determined by fitting the current–voltage curves to the non-ideal diode equation. Furthermore, electrochemical impedance spectroscopy was used to determine the electrical parameters of the diodes in a wide frequency range by fitting the Nyquist plots to the appropriate equivalent circuit model. The experimental results show a remarkable enhancement in electrical conduction after the incorporation of metallic nanoparticles. Moreover, the spectral photoresponse was examined for various devices. An approximately 10-fold increment in photoresponse was observed after the addition of Ag nanoparticles to the porous structures.
Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations
Authors: Sulimov Alexey , Kutov Danil , Ilin Ivan , Sulimov Vladimir
Published: January 2022

The quantum quasi-docking procedure is used to compare the docking accuracies of two quantum-chemical semiempirical methods, namely, PM6-D3H4X and PM7. Quantum quasi-docking is an approximation to quantum docking. In quantum docking, it is necessary to search directly for the global minimum of the energy of the protein-ligand complex calculated by the quantum-chemical method. In quantum quasi-docking, firstly, we look for a wide spectrum of low-energy minima, calculated using the MMFF94 force field, and secondly, we recalculate the energies of all these minima using the quantum-chemical method, and among these recalculated energies we determine the lowest energy and the corresponding ligand position. Both PM6-D3H4X and PM7 are novel methods that describe well-dispersion interactions, hydrogen and halogen bonds. The PM6-D3H4X and PM7 methods are used with the COSMO implicit solvent model as it is implemented in the MOPAC program. The comparison is made for 25 high quality protein-ligand complexes. Firstly, the docking positioning accuracies have been compared, and we demonstrated that PM7+COSMO provides better positioning accuracy than PM6-D3H4X. Secondly, we found that PM7+COSMO demonstrates a much higher correlation between the calculated and measured protein–ligand binding enthalpies than PM6-D3H4X. For future quantum docking PM7+COSMO is preferable, but the COSMO model must be improved.
Manipulation of Skyrmion Motion Dynamics for Logical Device Application Mediated by Inhomogeneous Magnetic Anisotropy
Authors: Lin Jia-Qiang , Chen Ji-Pei , Tan Zhen-Yu , Chen Yuan , Chen Zhi-Feng , Li Wen-An , Gao Xing-Sen , Liu Jun-Ming
Published: January 2022

Magnetic skyrmions are promising potential information carriers for future spintronic devices owing to their nanoscale size, non-volatility and high mobility. In this work, we demonstrate the controlled manipulation of skyrmion motion and its implementation in a new concept of racetrack logical device by introducing an inhomogeneous perpendicular magnetic anisotropy (PMA) via micromagnetic simulation. Here, the inhomogeneous PMA can be introduced by a capping nano-island that serves as a tunable potential barriers/well which can effectively modulate the size and shape of isolated skyrmion. Using the inhomogeneous PMA in skyrmion-based racetrack enables the manipulation of skyrmion motion behaviors, for instance, blocking, trapping or allowing passing the injected skyrmion. In addition, the skyrmion trapping operation can be further exploited in developing special designed racetrack devices with logic AND and NOT, wherein a set of logic AND operations can be realized via skyrmion–skyrmion repulsion between two skyrmions. These results indicate an effective method for tailoring the skyrmion structures and motion behaviors by using inhomogeneous PMA, which further provide a new pathway to all-electric skyrmion-based memory and logic devices.
Sex Differences in Fish Oil and Olanzapine Effects on Gut Microbiota in Diet-Induced Obese Mice
Authors: Abbas Mostafa M. , Soto Paul , Ramalingam Latha , El-Manzalawy Yasser , Bensmail Halima , Moustaid-Moussa Naima
Published: January 2022

Children are prescribed second-generation antipsychotic (SGA) medications, such as olanzapine (OLZ) for FDA-approved and “off-label” indications. The long-term impact of early-life SGA medication exposure is unclear. Olanzapine and other SGA medications are known to cause excessive weight gain in young and adult patients, suggesting the possibility of long-term complications associated with the use of these drugs, such as obesity, diabetes, and heart disease. Further, the weight gain effects of OLZ have previously been shown to depend on the presence of gut bacteria and treatment with OLZ, which shifts gut bacteria toward an “obesogenic” profile. The purpose of the current study was to evaluate changes in gut bacteria in adult mice following early life treatment with OLZ and being fed either a high-fat diet or a high-fat diet supplemented with fish oil, which has previously been shown to counteract gut dysbiosis, weight gain, and inflammation produced by a high-fat diet. Female and male C57Bl/6J mice were fed a high fat diet without (HF) or with the supplementation of fish oil (HF-FO) and treated with OLZ from postnatal day (PND) 37–65 resulting in four groups of mice: mice fed a HF diet and treated with OLZ (HF-OLZ), mice fed a HF diet and treated with vehicle (HF), mice fed a HF-FO diet and treated with OLZ (HF-FO-OLZ), and mice fed a HF-FO diet and treated with vehicle (HF-FO). Following euthanasia at approximately 164 days of age, we determined changes in gut bacteria populations and serum LPS binding protein, an established marker of gut inflammation and dysbiosis. Our results showed that male HF-FO and HF-FO-OLZ mice had lower body weights, at sacrifice, compared to the HF group, with a comparable body weight across groups in female mice. HF-FO and HF-FO-OLZ male groups also exhibited lower serum LPS binding protein levels compared to the HF group, with no differences across groups in female mice. Gut microbiota profiles were also different among the four groups; the Bacteroidetes-to-Firmicutes (B/F) ratio had the lowest value of 0.51 in the HF group compared to 0.6 in HF-OLZ, 0.9 in HF-FO, and 1.1 in HF-FO-OLZ, with no differences in female mice. In conclusion, FO reduced dietary obesity and its associated inflammation and increased the B/F ratio in male mice but did not benefit the female mice. Although the weight lowering effects of OLZ were unexpected, FO effects persisted in the presence of olanzapine, demonstrating its potential protective effects in male subjects using antipsychotic drugs.
Gut Microbiome and Organ Fibrosis
Authors: Costa Carolina F. F. A. , Sampaio-Maia Benedita , Araujo Ricardo , Nascimento Diana S. , Ferreira-Gomes Joana , Pestana Manuel , Azevedo Maria J. , Alencastre Ines S.
Published: January 2022

Fibrosis is a pathological process associated with most chronic inflammatory diseases. It is defined by an excessive deposition of extracellular matrix proteins and can affect nearly every tissue and organ system in the body. Fibroproliferative diseases, such as intestinal fibrosis, liver cirrhosis, progressive kidney disease and cardiovascular disease, often lead to severe organ damage and are a leading cause of morbidity and mortality worldwide, for which there are currently no effective therapies available. In the past decade, a growing body of evidence has highlighted the gut microbiome as a major player in the regulation of the innate and adaptive immune system, with severe implications in the pathogenesis of multiple immune-mediated disorders. Gut microbiota dysbiosis has been associated with the development and progression of fibrotic processes in various organs and is predicted to be a potential therapeutic target for fibrosis management. In this review we summarize the state of the art concerning the crosstalk between intestinal microbiota and organ fibrosis, address the relevance of diet in different fibrotic diseases and discuss gut microbiome-targeted therapeutic approaches that are current being explored.