bluuebunny/crossref_metadata_2025 huggingface dataset:
Study of Optimal Cam Design of Dual-Axle Spring-Loaded Camming Device
Authors: Rybansky David , Sotola Martin , Marsalek Pavel , Poruba Zdenek , Fusek Martin
Published: April 2021

The spring-loaded camming device (SLCD), also known as “friend”, is a simple mechanism used to ensure the safety of the climber through fall prevention. SLCD consists of two pairs of opposing cams rotating separately, with one (single-axle SLCD) or two (dual-axle SLCD) pins connecting the opposing cams, a stem, connected to the pins, providing the attachment of the climbing rope, springs, which simultaneously push cams to a fully expanded position, and an operating element controlling the cam position. The expansion of cams is thus adaptable to allow insertion or removal of the device into/from a rock crack. While the pins, stem, operating element, and springs can be considered optimal, the (especially internal) shape of the cam allows space for improvement, especially where the weight is concerned. This paper focuses on optimizing the internal shape of the dual-axle SLCD cam from the perspective of the weight/stiffness trade-off. For this purpose, two computational models are designed and multi-step topology optimization (TOP) are performed. From the computational models’ point of view, SLCD is considered symmetric and only one cam is optimized and smoothened using parametric curves. Finally, the load-bearing capacity of the new cam design is analyzed. This work is based on practical industry requirements, and the obtained results will be reflected in a new commercial design of SLCD.
Estimating Mechanical Properties of Wood in Existing Structures—Selected Aspects
Authors: Nowak Tomasz , Patalas Filip , Karolak Anna
Published: April 2021

The paper presents and discusses selected methods of wood classification and the evaluation of its mechanical properties. Attention was mainly paid to methods that may be particularly useful for examining existing elements and structures. The possibility of estimating the modulus of rupture—MOR and modulus of elasticity—MOE based on the non- destructive (NDT), semi-destructive (SDT), and destructive tests (DT) were considered. Known international, European, and American standards and research approaches were indicated. The selected testing methods and their interpretation were presented. These were, among others, the method of visual assessment, the resistance drilling method, methods of determining the dynamic modulus of elasticity, and procedures for testing small clear specimens. Moreover, some of our own research results from the conducted experimental tests were presented and discussed. In the destructive tests, both large elements and small clear specimens were examined. The results obtained from individual methods were compared and some conclusions were presented. The summary discusses the fundamental difficulties and limitations in applying the presented procedures and interpretations.
Investigation of the Residual Mechanical and Porosity Properties of Cement Mortar under Axial Stress during Heating
Authors: Gao Zhifei , Wang Linbing , Yang Hailu
Published: April 2021

The preload load on concrete during heating is considered to cause a ‘densification’ of cement mortar which led to the increased compressive strength. In order to assess the influence of coupled load and heating effects on porosity characteristics of concrete, the porosity of mortar after mechanical and thermal loading was measured by X-ray computed tomography (X-ray CT). The preload at pre-stress ratios of 0, 0.2, 0.4, and 0.6 (ratio of stress applied to the specimen to its compressive strength at room temperature) were applied on mortar specimens during heating. The residual compressive strengths of the heated and stressed mortar specimens were tested after cooling to room temperature. Combined analyses of the residual compressive strength test results and porosity test results, it shows that the porosity of the specimens under the coupled stressing and heating conditions were slightly lower than that under the unstressed conditions; however, the conclusion that the increase of compressive strength of stressed mortar was caused by the ‘densification’ of cement paste was insufficient. The preload reduced the cracks in the mortar, especially the crack induced due to the thermal mismatch in aggregates and hardened cement paste (HCP), and this may account for the increased compressive strength of stressed mortar.
Metastable Materials Accessed under Moderate Pressure Conditions (P ≤ 3.5 GPa) in a Piston-Cylinder Press
Authors: Gainza Javier , Serrano-Sánchez Federico , Rodrigues João Elias F. S. , Nemes Norbert Marcel , Martínez José Luis , Alonso José Antonio
Published: April 2021

In this review, we describe different families of metastable materials, some of them with relevant technological applications, which can be stabilized at moderate pressures 2–3.5 GPa in a piston-cylinder press. The synthesis of some of these systems had been previously reported under higher hydrostatic pressures (6–10 GPa), but can be accessed under milder conditions in combination with reactive precursors prepared by soft-chemistry techniques. These systems include perovskites with transition metals in unusual oxidation states (e.g., RNiO3 with Ni3+, R = rare earths); double perovskites such as RCu3Mn4O12 with Jahn–Teller Cu2+ ions at A sites, pyrochlores derived from Tl2Mn2O7 with colossal magnetoresistance, pnictide skutterudites MxCo4Sb12 (M = La, Yb, Ce, Sr, K) with thermoelectric properties, or metal hydrides Mg2MHx (M = Fe, Co, Ni) and AMgH3 (A: alkali metals) with applications in hydrogen storage. The availability of substantial amounts of sample (0.5–1.5 g) allows a complete characterization of the properties of interest, including magnetic, transport, thermoelectric properties and so on, and the structural characterization by neutron or synchrotron X-ray diffraction techniques.
Organobentonites Modified with Poly(Acrylic Acid) and Its Sodium Salt for Foundry Applications
Authors: Cukrowicz Sylwia , Sitarz Maciej , Kornaus Kamil , Kaczmarska Karolina , Bobrowski Artur , Gubernat Agnieszka , Grabowska Beata
Published: April 2021

The article aims to verify the possibility of obtaining an organic–inorganic material acting as both a binder and a lustrous carbon carrier in bentonite-bonded molding sands. Due to the wide industrial application, organoclays can be considered as innovative materials supporting the foundry technology in meeting environmental requirements. In this study, the organic modification of montmorillonite in calcium bentonite (SN) was performed by poly(acrylic acid) (PAA) and its sodium salt (PAA/Na). Additionally, for the purpose of comparison, the sodium-activated bentonite/poly(acrylic acid) (SN-Na/PAA) composites were also prepared. The collective analysis of the research results used in the assessment of the mineral/polymer interaction mechanism indicates surface adsorption combined with the intercalation of PAA monolayer into the mineral interlayer spaces. Materials were characterized by the combination of Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) surface area analysis and scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS) methods. Based on the XRD analysis, the influence of PAA/Na on the aluminosilicate layered structure was found to be destructive, which may adversely affect the binding properties of SN/PAA/Na composites considered as a potential group of new foundry binders. The SN/PAA and SN-Na/PPA composites (with appropriate polymer content) can act as a binding agent in the synthetic molding sand technology, despite coating the bentonite particles with polymer molecules. The risk of losing the mineral′s binding capacity is reduced by the good binding properties of pol(acrylic acid) itself. The article is the first stage (preceding the thermal analysis and the strength tests of molding sands with the prepared organobentonites) in determining the possibility of obtaining a new full-value foundry binder in molding sands with bentonite.
Biomineralization of Plastic Waste to Improve the Strength of Plastic-Reinforced Cement Mortar
Authors: Kane Seth , Thane Abby , Espinal Michael , Lunday Kendra , Armağan Hakan , Phillips Adrienne , Heveran Chelsea , Ryan Cecily
Published: April 2021

The development of methods to reuse large volumes of plastic waste is essential to curb the environmental impact of plastic pollution. Plastic-reinforced cementitious materials (PRCs), such as plastic-reinforced mortar (PRM), may be potential avenues to productively use large quantities of low-value plastic waste. However, poor bonding between the plastic and cement matrix reduces the strength of PRCs, limiting its viable applications. In this study, calcium carbonate biomineralization techniques were applied to coat plastic waste and improved the compressive strength of PRM. Two biomineralization treatments were examined: enzymatically induced calcium carbonate precipitation (EICP) and microbially induced calcium carbonate precipitation (MICP). MICP treatment of polyethylene terephthalate (PET) resulted in PRMs with compressive strengths similar to that of plastic-free mortar and higher than the compressive strengths of PRMs with untreated or EICP-treated PET. Based on the results of this study, MICP was used to treat hard-to-recycle types 3–7 plastic waste. No plastics investigated in this study inhibited the MICP process. PRM samples with 5% MICP-treated polyvinyl chloride (PVC) and mixed type 3–7 plastic had compressive strengths similar to plastic-free mortar. These results indicate that MICP treatment can improve PRM strength and that MICP-treated PRM shows promise as a method to reuse plastic waste.
Impact of Sinorhizobium meliloti Exopolysaccharide on Adsorption and Aggregation in the Copper(II) Ions/Supporting Electrolyte/Kaolinite System
Authors: Szewczuk-Karpisz Katarzyna , Tomczyk Agnieszka , Komaniecka Iwona , Choma Adam , Adamczuk Agnieszka , Sofińska-Chmiel Weronika
Published: April 2021

To obtain insight into physicochemical interactions between Cu(II) ions, kaolinite, and exopolysaccharide (EPS) synthesized by Sinorhizobium meliloti Rm 1021 soil bacteria, an adsorption, electrokinetic, and aggregation study was performed in the selected systems. The obtained data showed that supporting electrolyte type affects both EPS and Cu(II) ions adsorption. For initial Cu(II) concentration 100 mg/L, 4.36 ± 0.25 mg/g (21.80 ± 1.00%) of the ions were adsorbed in 0.001 M NaCl and 3.76 ± 0.20 mg/g (18.80 ± 1.00%) in 0.001 M CaCl2. The experimental data were best fitted to the Langmuir model as well as pseudo second-order equation. The EPS adsorbed amount on kaolinite was higher in the CaCl2 electrolyte than in NaCl one. For an initial polymer concentration of 100 mg/L, the EPS adsorbed amount was 4.69 ± 0.08 mg/g (23.45 ± 0.40%) in 0.001 M NaCl and 5.26 ± 0.15 mg/g (26.32 ± 0.75%) in 0.001 M CaCl2. In the mixed system, regardless of electrolyte type, exopolysaccharide contributed to immobilization of higher amount of copper(II) ions on the clay mineral. Also, in the samples containing heavy metal ions and exopolysaccharide simultaneously, the aggregation of kaolinite particles was the strongest. The results presented in the paper may be very helpful in soil bioremediation, especially in the development of technologies reducing the mobility of heavy metals in the environment.
Polyurethane Impregnation for Improving the Mechanical and the Water Resistance of Polypropylene-Based Textiles
Authors: Patti Antonella , Costa Francesco , Perrotti Marta , Barbarino Domenico , Acierno Domenico
Published: April 2021

Commercial waterborne polyurethane (PU) dispersions, different in chemistry and selected on the basis of eco-friendly components, have been applied to a common polypropylene (PP)-based woven fabric. Impregnation has been chosen as a textile treatment for improving the features of basic technical textiles in light of potential applicability in luggage and bag production. The effect of drying method, performed under conditions achieved by varying the process temperature and pressure, on the features of the treated textiles, has been verified. The prepared specimens were characterized in terms of mechanical behavior (tensile, tear and abrasion resistance) and water resistance (surface wettability and hydrostatic pressure throughout the treated textiles). The experimental results suggest an incremental improvement of the tensile features for all the investigated specimens. For tear strength, no augmentation compared to that of the neat textile, could be verified as a consequence of polyurethane treatment. Remarkable improvements of abrasion resistance were displayed for all the impregnated PP textiles. Benefits in water resistance could be attributed to the presence of hydrophobic PU in the textile weaving of the PP samples. The ultimate improvement in water resistance was dependent on drying conditions.
Crystal Structure Determination of 4-[(Di-p-tolyl-amino)-benzylidene]-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-imine along with Selected Properties of Imine in Neutral and Protonated Form with Camforosulphonic Acid: Theoretical and Experimental Studies
Authors: Dylong Agnieszka , Dysz Karolina , Bogdanowicz Krzysztof A. , Przybył Wojciech , Konieczny Krzysztof A. , Turowska-Tyrk Ilona , Kaim Andrzej , Iwan Agnieszka
Published: April 2021

The crystal structure was determined for the first time for 4-[(di-p-tolyl-amino)benzylidene]-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-imine (trans-PPL9) by X-ray diffraction. The imine crystallized in the monoclinic P21/n space group with a = 18.9567(7) Å, b = 6.18597(17) Å, c = 22.5897(7) Å, and β = 114.009(4)°. Intermolecular interactions in the PPL9 crystal were only weak C−H⋯N hydrogen bonds investigated using the Hirshfeld surface. The electronic and geometric structure of the imine were investigated by the density functional theory and the time-dependent density-functional theory. The properties of the imine in neutral and protonated form with camforosulphonic acid (CSA) were investigated using cyclic voltammetry, UV–vis and 1H NMR spectroscopy. Theoretical and experimental studies showed that for the 1:1 molar ratio the protonation occured on nitrogen in pyridine in the PPL9 structure, as an effect of Brönsted acid–base interactions. Thermographic camera was used to defined defects in constructed simple devices with ITO/PPL9 (or PPL9:CSA)/Ag/ITO architecture. In conclusion, a thermally stable imine was synthesized in crystalline form and by CSA doping, a modification of absorption spectra together with reduction of overheating process was observed, suggesting its potential application in optoelectronics.
An Inventory Model with Stock-Dependent Demand Rate and Maximization of the Return on Investment
Authors: Pando Valentín , San-José Luis A. , Sicilia Joaquín
Published: April 2021

This work presents an inventory model for a single item where the demand rate is stock-dependent. Three fixed costs are considered in the model: purchasing cost, ordering cost and holding cost. A new approach focused on maximizing the return on investment (ROI) is used to determine the optimal policy. It is proved that maximizing profitability is equivalent to minimizing the average inventory cost per item. The global optimum of the objective function is obtained, proving that the zero ending policy at the final of a cycle is optimal. Closed expressions for the lot size and the maximum ROI are determined. The optimal policy for minimizing the inventory cost per unit time is also obtained with a zero-order point, but the optimal lot size is different. Both solutions are not equal to the one that provides the maximum profit per unit time. The optimal lot size for the maximum ROI policy does not change if the purchasing cost or the selling price vary. A sensitivity analysis for the optimal values regarding the initial parameters is performed by using partial derivatives. The maximum ROI is more sensitive regarding the selling price or the purchasing cost than regarding the other parameters. Some useful managerial insights are deduced for decision-makers. Numerical examples are solved to illustrate the obtained results.
Geometry of Bi-Warped Product Submanifolds of Nearly Trans-Sasakian Manifolds
Authors: Alkhaldi Ali H. , Ali Akram
Published: April 2021

In the present work, we consider two types of bi-warped product submanifolds, M=MT×f1M⊥×f2Mϕ and M=Mϕ×f1MT×f2M⊥, in nearly trans-Sasakian manifolds and construct inequalities for the squared norm of the second fundamental form. The main results here are a generalization of several previous results. We also design some applications, in view of mathematical physics, and obtain relations between the second fundamental form and the Dirichlet energy. The relationship between the eigenvalues and the second fundamental form is also established.
Carbon Molecular Sieve Membranes Comprising Graphene Oxides and Porous Carbon for CO2/N2 Separation
Authors: Chuah Chong Yang , Lee Junghyun , Song Juha , Bae Tae-Hyun
Published: April 2021

To improve the CO2/N2 separation performance, mixed-matrix carbon molecular sieve membranes (mixed-matrix CMSMs) were fabricated and tested. Two carbon-based fillers, graphene oxide (GO) and activated carbon (YP-50F), were separately incorporated into two polymer precursors (Matrimid® 5218 and ODPA-TMPDA), and the resulting CMSMs demonstrated improved CO2 permeability. The improvement afforded by YP-50F was more substantial due to its higher accessible surface area. Based on the gas permeation data and the Robeson plot for CO2/N2 separation, the performances of the CMSMs containing 15 wt % YP-50F and 15 wt % GO in the mixed polymer matrix surpassed the 2008 Robeson upper bound of polymeric membranes. Hence, this study demonstrates the feasibility of such membranes in improving the CO2/N2 separation performance through the appropriate choice of carbon-based filler materials in polymer matrices.
Calixresorcin[4]arene-Mediated Transport of Pb(II) Ions through Polymer Inclusion Membrane
Authors: Konczyk Joanna , Ciesielski Wojciech
Published: April 2021

A facilitated transport of Pb(II) through polymer inclusion membrane (PIM) containing 1,8,15,22-tetra(1-heptyl)-calixresorcin[4]arene and its tetra- and octasubstituted derivatives containing phosphoryl, thiophosphoryl or ester groups as an ion carrier was investigated. The efficiency of Pb(II) removal from aqueous nitrate solutions was considered as a function of the composition of membrane (effect of polymer, plasticizer, and carrier), feed (effect of initial metal concentration and presence of other metal ions) and stripping phases, and temperature of the process conducting. Two kinetic models were applied for the transport description. The highest Pb(II) ions removal efficiency was obtained for the membrane with tetrathiophosphorylated heptyl-calixresorcin[4]arene as an ion carrier. The activation energy value, found from Eyring plot to be equal 38.7 ± 1.3 kJ/mol, suggests that the transport process is controllable both by diffusion and chemical reaction. The competitive transport of Pb(II) over Zn(II), Cd(II), and Cr(III) ions across PIMs under the optimal conditions was also performed. It was found that the Cr(III) ions’ presence in the feed phase disturb effective re-extraction of Pb(II) ions from membrane to stripping phase. Better stability of PIM-type than SLM-type membrane was found.
Characterization of Soldering Alloy Type Bi-Ag-Ti and the Study of Ultrasonic Soldering of Silicon and Copper
Authors: Kolenak Roman , Kostolny Igor , Drapala Jaromir , Babincova Paulina , Gogola Peter
Published: April 2021

The aim of the research work was to characterize the soldering alloy type Bi-Ag-Ti and to study the direct soldering of silicon and copper. Bi11Ag1.5Ti solder has a broad melting interval. Its scope depends mainly on the content of silver and titanium. The solder begins to melt at the temperature of 262.5 ∘C and full melting is completed at 405 ∘C. The solder microstructure consists of a bismuth matrix with local eutectics. The silver crystals and titanium phases as BiTi2 and Bi9Ti8 are segregated in the matrix. The average tensile strength of the solder varies around 42 MPa. The bond with silicon is formed due to interaction of active titanium with the silicon surface at the formation of a reaction layer, composed of a new product, TiSi2. In the boundary of the Cu/solder an interaction between the liquid bismuth solder and the copper substrate occurs, supported by the eutectic reaction. The mutual solubility between the liquid bismuth solder is very limited, on both the Bi and the Cu side. The average shear strength in the case of a combined joint of Si/Cu fabricated with Bi11Ag1.5Ti solder is 43 MPa.
The Influence of the Ratio of Au and Pt Nanoparticles in Ternary Composites with TiO2
Authors: Hampel Boglárka , Baia Lucian , Hernadi Klara , Pap Zsolt
Published: April 2021

In the present work, ternary composites were synthesized from commercial titanias (Evonik Aeroxide P25, Aldrich anatase—AA and Aldrich rutile—AR) and two noble metals (gold and platinum). This research focuses on the composition of the photocatalysts, especially on the noble metals. The ratio between the noble metals varies from 0.25 to 0.75% in each composite for each noble metal. Transmission electron microscopy (TEM), X-ray diffraction (XRD) and diffuse reflectance spectroscopy (DRS) measurements were carried out to investigate the structural and optical properties. From the TEM, it can be observed that the particle sizes of the noble metals were between 1 and 4 nm, while the (anatase and rutile) crystals of P25 were 20–40 nm. The XRD showed that the semiconductors’ composition remained unchanged during/after the deposition of noble metal nanoparticles. By the DRS measurements, using the Kubelka–Munk equation, it can be concluded that the deposition of the noble metal nanoparticles resulted the decrease of the bandgap energies of the titanias. The photocatalytic activity was investigated under the irradiation of UV light. Oxalic acid and salicylic acid were used as model pollutants. The hydrogen production capacity was investigated as well, where the sacrificial agent was oxalic acid, and UV irradiation was used.
Finite Element Modeling of Residual Stress at Joint Interface of Titanium Alloy and 17-4PH Stainless Steel
Authors: Kwabena Adomako Nana , Kim Sung Hoon , Yoon Ji Hong , Lee Se-Hwan , Kim Jeoung Han
Published: April 2021

Residual stress is a crucial element in determining the integrity of parts and lifetime of additively manufactured structures. In stainless steel and Ti-6Al-4V fabricated joints, residual stress causes cracking and delamination of the brittle intermetallic joint interface. Knowledge of the degree of residual stress at the joint interface is, therefore, important; however, the available information is limited owing to the joint’s brittle nature and its high failure susceptibility. In this study, the residual stress distribution during the deposition of 17-4PH stainless steel on Ti-6Al-4V alloy was predicted using Simufact additive software based on the finite element modeling technique. A sharp stress gradient was revealed at the joint interface, with compressive stress on the Ti-6Al-4V side and tensile stress on the 17-4PH side. This distribution is attributed to the large difference in the coefficients of thermal expansion of the two metals. The 17-4PH side exhibited maximum equivalent stress of 500 MPa, which was twice that of the Ti-6Al-4V side (240 MPa). This showed good correlation with the thermal residual stress calculations of the alloys. The thermal history predicted via simulation at the joint interface was within the temperature range of 368–477 °C and was highly congruent with that obtained in the actual experiment, approximately 300–450 °C. In the actual experiment, joint delamination occurred, ascribable to the residual stress accumulation and multiple additive manufacturing (AM) thermal cycles on the brittle FeTi and Fe2Ti intermetallic joint interface. The build deflected to the side at an angle of 0.708° after the simulation. This study could serve as a valid reference for engineers to understand the residual stress development in 17-4PH and Ti-6Al-4V joints fabricated with AM.
Application of Activated Carbon Obtained from Spent Coffee Ground Wastes to Effective Terbium Recovery from Liquid Solutions
Authors: Alcaraz Lorena , Saquinga Dayana Nathaly , Alguacil Francisco J. , Escudero Esther , López Félix A.
Published: April 2021

A process aimed at the recovery of terbium from liquid solutions using activated carbon (AC) derived from spent coffee grounds (SCG) was assessed. AC was obtained using the hydro-alcoholic treatment of SCG, followed by the physical activation of the as-obtained product. The AC exhibited both microporous and mesoporous structures, which were shown by the corresponding nitrogen adsorption–desorption isotherms and scanning electron microscopy (SEM) images. In addition, a certain graphitic character was found in the micro-Raman measurements. By use of this AC, terbium adsorption was investigated, and the influence of solution pH, temperature, and the adsorbent amount on terbium uptake was tested. In addition, adsorption isotherms and kinetic studies were also evaluated. The best fit was found for the type-1 Langmuir isotherm and pseudo-second-order kinetics model. Thermodynamic studies revealed that terbium adsorption is an endothermic and spontaneous process. Terbium desorption by the use of acidic solutions was also investigated. This work demonstrated that it is possible to recover this valuable metal from liquid solution using the present AC.
Metabolite Profile of Treatment-Naive Metabolic Syndrome Subjects in Relation to Cardiovascular Disease Risk
Authors: Warmbrunn Moritz V. , Koopen Annefleur M. , de Clercq Nicolien C. , de Groot Pieter F. , Kootte Ruud S. , Bouter Kristien E. C. , ter Horst Kasper W. , Hartstra Annick V. , Serlie Mireille J. , Ackermans Mariette T. , Soeters Maarten R. , van Raalte Daniel H. , Davids Mark , Nieuwdorp Max , Groen Albert K.
Published: April 2021

Metabolic syndrome (MetSyn) is an important risk factor for type 2 diabetes and cardiovascular diseases (CVD). This study aimed to find distinct plasma metabolite profiles between insulin-resistant and non-insulin resistant subjects with MetSyn and evaluate if MetSyn metabolite profiles are related to CVD risk and lipid fluxes. In a cross-sectional study, untargeted metabolomics of treatment-naive males with MetSyn (n = 132) were analyzed together with clinical parameters. In a subset of MetSyn participants, CVD risk was calculated using the Framingham score (n = 111), and lipolysis (n = 39) was measured by a two-step hyperinsulinemic euglycemic clamp using [1,1,2,3,3-2H5] glycerol to calculate lipolysis suppression rates. Peripheral insulin resistance was related to fatty acid metabolism and glycerolphosphorylcholine. Interestingly, although insulin resistance is considered to be a risk factor for CVD, we observed that there was little correspondence between metabolites associated with insulin resistance and metabolites associated with CVD risk. The latter mainly belonged to the androgenic steroid, fatty acid, phosphatidylethanolamine, and phophatidylcholine pathways. These data provide new insights into metabolic changes in mild MetSyn pathophysiology and MetSyn CVD risk related to lipid metabolism. Prospective studies may focus on the pathophysiological role of the here-identified biomarkers.
Improved One-Class Modeling of High-Dimensional Metabolomics Data via Eigenvalue-Shrinkage
Authors: Brini Alberto , Avagyan Vahe , de Vos Ric C. H. , Vossen Jack H. , van den Heuvel Edwin R. , Engel Jasper
Published: April 2021

One-class modelling is a useful approach in metabolomics for the untargeted detection of abnormal metabolite profiles, when information from a set of reference observations is available to model “normal” or baseline metabolite profiles. Such outlying profiles are typically identified by comparing the distance between an observation and the reference class to a critical limit. Often, multivariate distance measures such as the Mahalanobis distance (MD) or principal component-based measures are used. These approaches, however, are either not applicable to untargeted metabolomics data, or their results are unreliable. In this paper, five distance measures for one-class modeling in untargeted metabolites are proposed. They are based on a combination of the MD and five so-called eigenvalue-shrinkage estimators of the covariance matrix of the reference class. A simple cross-validation procedure is proposed to set the critical limit for outlier detection. Simulation studies are used to identify which distance measure provides the best performance for one-class modeling, in terms of type I error and power to identify abnormal metabolite profiles. Empirical evidence demonstrates that this method has better type I error (false positive rate) and improved outlier detection power than the standard (principal component-based) one-class models. The method is illustrated by its application to liquid chromatography coupled to mass spectrometry (LC-MS) and nuclear magnetic response spectroscopy (NMR) untargeted metabolomics data from two studies on food safety assessment and diagnosis of rare diseases, respectively.
Stability Assessment of p-i-n Perovskite Photovoltaic Mini-Modules Utilizing Different Top Metal Electrodes
Authors: Dagar Janardan , Paramasivam Gopinath , Klimm Carola , Fenske Markus , Schultz Christof , Schlatmann Rutger , Stegemann Bert , Unger Eva
Published: April 2021

Long-term stability is one of the major challenges for p-i-n type perovskite solar modules (PSMs). Here, we demonstrate the fabrication of fully laser-patterned series interconnected p-i-n perovskite mini-modules, in which either single Cu or Ag layers are compared with Cu/Au metal-bilayer top electrodes. According to the scanning electron microscopy measurements, we found that Cu or Ag top electrodes often exhibit flaking of the metal upon P3 (top contact removal) laser patterning. For Cu/Au bilayer top electrodes, metal flaking may cause intermittent short-circuits between interconnected sub-cells during operation, resulting in fluctuations in the maximum power point (MPP). Here, we demonstrate Cu/Au metal-bilayer-based PSMs with an efficiency of 18.9% on an active area of 2.2 cm2 under continuous 1-sun illumination. This work highlights the importance of optimizing the top-contact composition to tackle the operational stability of mini-modules, and could help to improve the feasibility of large-area module deployment for the commercialization of perovskite photovoltaics.
Optimization of Field-Free Point Position, Gradient Field and Ferromagnetic Polymer Ratio for Enhanced Navigation of Magnetically Controlled Polymer-Based Microrobots in Blood Vessel
Authors: Sharif Saqib , Nguyen Kim Tien , Bang Doyeon , Park Jong-Oh , Choi Eunpyo
Published: April 2021

Microscale and nanoscale robots, frequently referred to as future cargo systems for targeted drug delivery, can effectively convert magnetic energy into locomotion. However, navigating and imaging them within a complex colloidal vascular system at a clinical scale is exigent. Hence, a more precise and enhanced hybrid control navigation and imaging system is necessary. Magnetic particle imaging (MPI) has been successfully applied to visualize the ensemble of superparamagnetic nanoparticles (MNPs) with high temporal sensitivity. MPI uses the concept of field-free point (FFP) mechanism in the principal magnetic field. The gradient magnetic field (|∇B|) of MPI scanners can generate sufficient magnetic force in MNPs; hence, it has been recently used to navigate nanosized particles and micron-sized swimmers. In this article, we present a simulation analysis of the optimized navigation of an ensemble of microsized polymer MNP-based drug carriers in blood vessels. Initially, an ideal two-dimensional FFP case is employed for the basic optimization of the FFP position to achieve efficient navigation. Thereafter, a nine-coil electromagnetic actuation simulation system is developed to generate and manipulate the FFP position and |∇B|. Under certain vessel and fluid conditions, the particle trajectories of different ferromagnetic polymer ratios and |∇B| were compared to optimize the FFP position.
Insights on Cadmium Removal by Bioremediation: The Case of Haloarchaea
Authors: Vera-Bernal Mónica , Martínez-Espinosa Rosa María
Published: April 2021

Although heavy metals are naturally found in the environment as components of the earth’s crust, environmental pollution by these toxic elements has increased since the industrial revolution. Some of them can be considered essential, since they play regulatory roles in different biological processes; but the role of other heavy metals in living tissues is not clear, and once ingested they can accumulate in the organism for long periods of time causing adverse health effects. To mitigate this problem, different methods have been used to remove heavy metals from water and soil, such as chelation-based processes. However, techniques like bioremediation are leaving these conventional methodologies in the background for being more effective and eco-friendlier. Recently, different research lines have been promoted, in which several organisms have been used for bioremediation approaches. Within this context, the extremophilic microorganisms represent one of the best tools for the treatment of contaminated sites due to the biochemical and molecular properties they show. Furthermore, since it is estimated that 5% of industrial effluents are saline and hypersaline, halophilic microorganisms have been suggested as good candidates for bioremediation and treatment of this kind of samples. These microorganisms, and specifically the haloarchaea group, are of interest to design strategies aiming the removal of polluting compounds due to the efficiency of their metabolism under extreme conditions and their significant tolerance to highly toxic compounds such as heavy metals, bromate, nitrite, chlorate, or perchlorate ions. However, there are still few trials that have proven the bioremediation of environments contaminated with heavy metals using these microorganisms. This review analyses scientific literature focused on metabolic capabilities of haloarchaea that may allow these microbes to tolerate and eliminate heavy metals from the media, paying special attention to cadmium. Thus, this work will shed light on potential uses of haloarchaea in bioremediation of soils and waters negatively affected by heavy metals, and more specifically by cadmium.
A Novel Marine Pathogen Isolated from Wild Cunners (Tautogolabrus adspersus): Comparative Genomics and Transcriptome Profiling of Pseudomonas sp. Strain J380
Authors: Umasuthan Navaneethaiyer , Valderrama Katherinne , Vasquez Ignacio , Segovia Cristopher , Hossain Ahmed , Cao Trung , Gnanagobal Hajarooba , Monk Jennifer , Boyce Danny , Santander Javier
Published: April 2021

Cunner (Tautogolabrus adspersus) is a cleaner fish being considered for utilized in the North Atlantic salmon (Salmo salar) aquaculture industry to biocontrol sea lice infestations. However, bacterial diseases due to natural infections in wild cunners have yet to be described. This study reports the isolation of Pseudomonas sp. J380 from infected wild cunners and its phenotypic, genomic, and transcriptomic characterization. This Gram-negative motile rod-shaped bacterium showed a mesophilic (4–28 °C) and halotolerant growth. Under iron-limited conditions, Pseudomonas sp. J380 produced pyoverdine-type fluorescent siderophore. Koch’s postulates were verified in wild cunners by intraperitoneally (i.p.) injecting Pseudomonas sp. J380 at 4 × 103, 4 × 105, and 4 × 107 colony forming units (CFU)/dose. Host-range and comparative virulence were also investigated in lumpfish and Atlantic salmon i.p. injected with ~106 CFU/dose. Lumpfish were more susceptible compared to cunners, and Atlantic salmon was resistant to Pseudomonas sp. J380 infection. Cunner tissues were heavily colonized by Pseudomonas sp. J380 compared to lumpfish and Atlantic salmon suggesting that it might be an opportunistic pathogen in cunners. The genome of Pseudomonas sp. J380 was 6.26 megabases (Mb) with a guanine-cytosine (GC) content of 59.7%. Biochemical profiles, as well as comparative and phylogenomic analyses, suggested that Pseudomonas sp. J380 belongs to the P. fluorescens species complex. Transcriptome profiling under iron-limited vs. iron-enriched conditions identified 1159 differentially expressed genes (DEGs). Cellular metabolic processes, such as ribosomal and energy production, and protein synthesis, were impeded by iron limitation. In contrast, genes involved in environmental adaptation mechanisms including two-component systems, histidine catabolism, and redox balance were transcriptionally up-regulated. Furthermore, iron limitation triggered the differential expression of genes encoding proteins associated with iron homeostasis. As the first report on a bacterial infection in cunners, the current study provides an overview of a new marine pathogen, Pseudomonas sp. J380.
Impact of Gut Microbiome Manipulation in 5xFAD Mice on Alzheimer’s Disease-Like Pathology
Authors: Guilherme Malena dos Santos , Nguyen Vu Thu Thuy , Reinhardt Christoph , Endres Kristina
Published: April 2021

The gut brain axis seems to modulate various psychiatric and neurological disorders such as Alzheimer’s disease (AD). Growing evidence has led to the assumption that the gut microbiome might contribute to or even present the nucleus of origin for these diseases. In this regard, modifiers of the microbial composition might provide attractive new therapeutics. Aim of our study was to elucidate the effect of a rigorously changed gut microbiome on pathological hallmarks of AD. 5xFAD model mice were treated by antibiotics or probiotics (L. acidophilus and L. rhamnosus) for 14 weeks. Pathogenesis was measured by nest building capability and plaque deposition. The gut microbiome was affected as expected: antibiotics significantly reduced viable commensals, while probiotics transiently increased Lactobacillaceae. Nesting score, however, was only improved in antibiotics-treated mice. These animals additionally displayed reduced plaque load in the hippocampus. While various physiological parameters were not affected, blood sugar was reduced and serum glucagon level significantly elevated in the antibiotics-treated animals together with a reduction in the receptor for advanced glycation end products RAGE—the inward transporter of Aβ peptides of the brain. Assumedly, the beneficial effect of the antibiotics was based on their anti-diabetic potential.
The Impact of Norepinephrine on Mono-Species and Dual-Species Staphylococcal Biofilms
Authors: Mart’yanov Sergey Vladislavovich , Botchkova Ekaterina Alexandrovna , Plakunov Vladimir Konstantinovich , Gannesen Andrei Vladislavovich
Published: April 2021

The effect of norepinephrine (“NE”) on Gram-negative bacteria is well characterized; however, little is known about the impact of NE on cutaneous Gram-positive skin residents, especially staphylococci. In this study, the impact of NE on monospecies and dual-species biofilms of Staphylococcus epidermidis and S. aureus model strains was investigated for the first time. Biofilms were grown in two different models (on polytetrafluoroethylene (“PTFE”) cubes and glass microfiber filters (“GMFFs”)) and additionally kinetic measurements of bacterial growth was performed. We have shown that NE can affect the biofilm formation of both species with a strong dependence on aerobic or anaerobic culture conditions in different models. It was shown that S. epidermidis suppresses S. aureus growth in dual-species biofilms and that NE can accelerate this process, contributing to the competitive behavior of staphylococci.
Rootstocks Shape Their Microbiome—Bacterial Communities in the Rhizosphere of Different Grapevine Rootstocks
Authors: Dries Leonie , Bussotti Simone , Pozzi Carlo , Kunz Robert , Schnell Sylvia , Löhnertz Otmar , Vortkamp Anne
Published: April 2021

The microbiota associated with the rhizosphere is responsible for crucial processes. Understanding how the plant and its bacterial community interact is of great importance to face the upcoming agricultural and viticultural challenges. The composition of the bacterial communities associated with the rhizosphere of grapevines is the result of the interaction between many drivers: biogeography, edaphic factors, soil management and plant genotype. The experimental design of this study aimed to reduce the variability resulting from all factors except the genotype of the rootstock. This was made possible by investigating four ungrafted grapevine rootstock varieties of the same age, grown on the same soil under the same climatic conditions and managed identically. The bacterial communities associated with the rhizosphere of the rootstocks 1103 Paulsen, 140 Ruggeri, 161-49 Couderc and Kober 5BB were characterized with the amplicon based sequencing technique, targeting regions V4–V5 of 16S rRNA gene. Linear discriminant analysis effect Size (LEfSe) analysis was performed to determine differential abundant taxa. The four rootstocks showed similarities concerning the structure of the bacteria assemblage (richness and evenness). Nonetheless, differences were detected in the composition of the bacterial communities. Indeed, all investigated rootstocks recruited communities with distinguishable traits, thus confirming the role of rootstock genotype as driver of the bacteria composition.
First Steps towards Understanding the Non-Linear Impact of Mg on Calcite Solubility: A Molecular Dynamics Study
Authors: Koskamp Janou A. , Ruiz Hernandez Sergio E. Ruiz , Leeuw Nora H. De , Wolthers Mariette
Published: April 2021

Magnesium (Mg2+) is one of the most common impurities in calcite and is known to have a non-linear impact on the solubility of magnesian calcites. Using molecular dynamics (MD), we observed that Mg2+ impacts overall surface energies, local free energy profiles, interfacial water density, structure and dynamics and, at higher concentrations, it also causes crystal surface deformation. Low Mg concentrations did not alter the overall crystal structure, but stabilised Ca2+ locally and tended to increase the etch pit nucleation energy. As a result, Ca-extraction energies over a wide range of 39 kJ/mol were observed. Calcite surfaces with an island were less stable compared to flat surfaces, and the incorporation of Mg2+ destabilised the island surface further, increasing the surface energy and the calcium extraction energies. In general, Ca2+ is less stable in islands of high Mg2+ concentrations. The local variation in free energies depends on the amount and distance to nearest Mg in addition to local disruption of interfacial water and the flexibility of surface carbonate ions to rotate. The result is a complex interplay of these characteristics that cause variability in local dissolution energies. Taken together, these results illustrate molecular scale processes behind the non-linear impact of Mg2+ concentration on the solubility of magnesium-bearing calcites.
Analysis of Strength and Microstructural Characteristics of Mine Backfills Containing Fly Ash and Desulfurized Gypsum
Authors: Huang Zhiqiang , Yilmaz Erol , Cao Shuai
Published: April 2021

The utilization of solid wastes (SWs) as a potential resource for backfilling is not only conducive to environmental protection but also reduces the surface storage of waste. Two types of SWs, including fly ash (FA) and desulfurized gypsum (DG), were used to prepare cementitious backfilling materials for underground mined-out areas. Ordinary Portland cement (OPC) was used as cement in mine backfill. To better investigate the feasibility of preparing backfill materials, some laboratory tests, such as uniaxial compressive strength (UCS), scanning electron microscopy (SEM), and energy dissipation theory, were conducted to explore both strength and microstructural properties of backfilling. Results have demonstrated that the main components of FA and DG in this study are oxides, with few toxic and heavy metal components. The ideal ratio of OPC:FA:DG is 1:6:2 and the corresponding UCS values are 2.5 and 4.2 MPa when the curing time are 7 days and 14 days, respectively. Moreover, the average UCS value of backfilling samples gradually decreased when the proportion of DG in the mixture increased. The main failure modes of various backfilling materials are tensile and shearing cracks. In addition, the corresponding relations among total input energy, dissipated energy and strain energy, and stress–strain curve were investigated. The spatial distribution of oxygen, aluminum, silicon, calcium, iron and magnesium elements, and hydration product are explored from the microstructure’s perspective. The findings of this study provide both invaluable information and industrial applications for the efficient management of solid waste, based on sustainable development and circular economy.
Synthesis and Antiviral Activity of Camphene Derivatives against Different Types of Viruses
Authors: Sokolova Anastasiya S. , Putilova Valentina P. , Yarovaya Olga I. , Zybkina Anastasiya V. , Mordvinova Ekaterina D. , Zaykovskaya Anna V. , Shcherbakov Dmitriy N. , Orshanskaya Iana R. , Sinegubova Ekaterina O. , Esaulkova Iana L. , Borisevich Sophia S. , Bormotov Nikolay I. , Shishkina Larisa N. , Zarubaev Vladimir V. , Pyankov Oleg V. , Maksyutov Rinat A. , Salakhutdinov Nariman F.
Published: April 2021

To date, the ‘one bug-one drug’ approach to antiviral drug development cannot effectively respond to the constant threat posed by an increasing diversity of viruses causing outbreaks of viral infections that turn out to be pathogenic for humans. Evidently, there is an urgent need for new strategies to develop efficient antiviral agents with broad-spectrum activities. In this paper, we identified camphene derivatives that showed broad antiviral activities in vitro against a panel of enveloped pathogenic viruses, including influenza virus A/PR/8/34 (H1N1), Ebola virus (EBOV), and the Hantaan virus. The lead-compound 2a, with pyrrolidine cycle in its structure, displayed antiviral activity against influenza virus (IC50 = 45.3 µM), Ebola pseudotype viruses (IC50 = 0.12 µM), and authentic EBOV (IC50 = 18.3 µM), as well as against pseudoviruses with Hantaan virus Gn-Gc glycoprotein (IC50 = 9.1 µM). The results of antiviral activity studies using pseudotype viruses and molecular modeling suggest that surface proteins of the viruses required for the fusion process between viral and cellular membranes are the likely target of compound 2a. The key structural fragments responsible for efficient binding are the bicyclic natural framework and the nitrogen atom. These data encourage us to conduct further investigations using bicyclic monoterpenoids as a scaffold for the rational design of membrane-fusion targeting inhibitors.