bluuebunny/crossref_metadata_2025 huggingface dataset:
Depletion of Lipocalin 2 (LCN2) in Mice Leads to Dysbiosis and Persistent Colonization with Segmented Filamentous Bacteria
Authors: Klüber Patrick , Meurer Steffen K. , Lambertz Jessica , Schwarz Roman , Zechel-Gran Silke , Braunschweig Till , Hurka Sabine , Domann Eugen , Weiskirchen Ralf
Published: December 2021

Lipocalin 2 (LCN2) mediates key roles in innate immune responses. It has affinity for many lipophilic ligands and binds various siderophores, thereby limiting bacterial growth by iron sequestration. Furthermore, LCN2 protects against obesity and metabolic syndrome by interfering with the composition of gut microbiota. Consequently, complete or hepatocyte-specific ablation of the Lcn2 gene is associated with higher susceptibility to bacterial infections. In the present study, we comparatively profiled microbiota in fecal samples of wild type and Lcn2 null mice and show, in contrast to previous reports, that the quantity of DNA in feces of Lcn2 null mice is significantly lower than that in wild type mice (p < 0.001). By using the hypervariable V4 region of the 16S rDNA gene and Next-Generation Sequencing methods, we found a statistically significant change in 16 taxonomic units in Lcn2-/- mice, including eight gender-specific deviations. In particular, members of Clostridium, Escherichia, Helicobacter, Lactococcus, Prevotellaceae_UCG-001 and Staphylococcus appeared to expand in the intestinal tract of knockout mice. Interestingly, the proportion of Escherichia (200-fold) and Staphylococcus (10-fold) as well as the abundance of intestinal bacteria encoding the LCN2-sensitive siderphore enterobactin (entA) was significantly increased in male Lcn2 null mice (743-fold, p < 0.001). This was accompanied by significant higher immune cell infiltration in the ileum as demonstrated by increased immunoreactivity against the pan-leukocyte protein CD45, the lymphocyte transcription factor MUM-1/IRF4, and the macrophage antigen CD68/Macrosialin. In addition, we found a higher expression of mucosal mast cell proteases indicating a higher number of those innate immune cells. Finally, the ileum of Lcn2 null mice displayed a high abundance of segmented filamentous bacteria, which are intimately associated with the mucosal cell layer, provoking epithelial antimicrobial responses and affecting T-helper cell polarization.
A Brief Journey through Protein Misfolding in Transthyretin Amyloidosis (ATTR Amyloidosis)
Authors: Gonzalez-Duarte Alejandra , Ulloa-Aguirre Alfredo
Published: December 2021

Transthyretin (TTR) amyloidogenesis involves the formation, aggregation, and deposition of amyloid fibrils from tetrameric TTR in different organs and tissues. While the result of amyloidoses is the accumulation of amyloid fibrils resulting in end-organ damage, the nature, and sequence of the molecular causes leading to amyloidosis may differ between the different variants. In addition, fibril accumulation and toxicity vary between different mutations. Structural changes in amyloidogenic TTR have been difficult to identify through X-ray crystallography; but nuclear magnetic resonance spectroscopy has revealed different chemical shifts in the backbone structure of mutated and wild-type TTR, resulting in diverse responses to the cellular conditions or proteolytic stress. Toxic mechanisms of TTR amyloidosis have different effects on different tissues. Therapeutic approaches have evolved from orthotopic liver transplants to novel disease-modifying therapies that stabilize TTR tetramers and gene-silencing agents like small interfering RNA and antisense oligonucleotide therapies. The underlying molecular mechanisms of the different TTR variants could be responsible for the tropisms to specific organs, the age at onset, treatment responses, or disparities in the prognosis.
Reaching 80 Years of Age: Clinical, Behavioral, and Psychosocial Related Risk Factors in a Large Cohort of Israeli Working Men
Authors: Lev-Ari Shahar , Novak Anne Marie , Zemer Adva , Gerber Yariv , Goldbourt Uri
Published: December 2021

The objective of this study was to estimate the probability of long-term overall survival based on total number of risk factors (RF). We also sought to examine the role of midlife clinical, behavioral, and psychosocial predictors of longevity in a large cohort of Israeli men. This study was based on the Israeli Ischemic Heart Disease (IIHD) cohort that included over 10,000 men who were followed up for mortality over more than four decades. During the 43 years of follow-up, 4634 (46.1%) men survived to 80 years of age or older. We considered cigarette smoking, diabetes mellitus, high systolic blood pressure, hypercholesterolemia, low socioeconomic status, and serious family problems as RF at ages 40–65. Cox proportional hazards regression models, with age as the time scale, were constructed to estimate the hazard ratios (HRs) for failure to survive 80 years of age. Compared with men free of all the above RF, those with one identified RF (HR = 1.58, 95% CI: 1.42–1.75) and counterparts with two identified RF (HR = 2.18, 95% CI: 1.96–2.43) were at a significantly greater risk of death before 80. Additional RF further increased the risk of early mortality (HR = 3.62, 95% CI: 1.50–8.73 for men with 5 RF). The results suggest a role of physiological, behavioral, and psychological risk factors at midlife in predicting longevity.
Forecasting Commodity Prices Using the Term Structure
Authors: Idilbi-Bayaa Yasmeen , Qadan Mahmoud
Published: December 2021

The aim of this study is to test the ability of the yield curve on US government bonds to forecast the future evolution in the prices of commodities often used in as raw materials. We consider the monthly prices of nine commodities for more than 30 years. Our findings, confirmed by several parametric and non-parametric tests, are robust and indicate that the ability to forecast future performance changes over time. Specifically, between 1986 and the early 2000s the yield curve was quite successful in forecasting monthly changes in commodity prices, but that success diminished in the period following. One possible explanation for this outcome is the increased flow of capital into the commodity market resulting in stronger correlations with the equity markets and a breakdown of the obvious relationship between commodities and business cycle. Our findings are important for asset pricing, commodity traders and policy makers.
Determinants of Consumers’ Willingness to Participate in Fast Fashion Brands’ Used Clothes Recycling Plans in an Omnichannel Retail Environment
Authors: Shao Peng , Lassleben Hermann
Published: December 2021

Omnichannel retailing and sustainability are two important challenges for the fast fashion industry. However, the sustainable behavior of fast fashion consumers in an omnichannel environment has not received much attention from researchers. This paper aims to examine the factors that determine consumers’ willingness to participate in fast fashion brands’ used clothes recycling plans in an omnichannel retail environment. In particular, we examine the impact of individual consumer characteristics (environmental attitudes, consumer satisfaction), organizational arrangements constitutive for omnichannel retailing (channel integration), and their interplay (brand identification, impulsive consumption). A conceptual model was developed based on findings from previous research and tested on data that were collected online from Chinese fast fashion consumers. Findings suggest that consumers’ intentions for clothes recycling are mainly determined by individual factors, such as environmental attitudes and consumer satisfaction. Organizational arrangements (perceived channel integration) showed smaller effects. This study contributes to the literature on omnichannel (clothing) retail, as well as on sustainability in the clothing industry, by elucidating individual and organizational determinants of consumers’ recycling intentions for used clothes in an omnichannel environment. It helps retailers to organize used clothes recycling plans in an omnichannel environment and to motivate consumers to participate in them.
The Effects of Energy Efficiency and Resource Consumption on Environmental Sustainability
Authors: Shah Raj , Chen Rui , Woydt Mathias
Published: December 2021

Primary energy has become a vital part of society—from mobility, heating, and cooling to refrigeration to preserve food as well as for simple communication methods, such as texting. As such, pollution and environmental concerns regarding the impact of human activities have become mainstream and efforts have been made to reduce solid wastes as well as CO2 and greenhouse gas emissions. Renewable energy is almost synonymous with environmentally friendly. While energy conversion from fossil fuels and natural gases is responsible for most of the pollution (CO2, NOx, SO2, particulate matter (PM), etc.) in modern society, these processes also generated 86% of global primary energy in 2019. Furthermore, as humans become more dependent on energy, power demands will only increase with time. Material hunger represents another little perceived dependency of human prosperity. The longevity of products and goods is crucial to limit CO2eq emissions associated with material streams. This paper will focus on two relationships: that of CO2 and friction, and that of sustainability and wear protection.
Influence of Hole Localization on Local and Global Dynamic Response of Thin-Walled Laminated Cantilever Beam
Authors: Bochenski Marcin , Gawryluk Jaroslaw , Teter Andrzej
Published: December 2021

In this study, we discuss the effects of the diameter and position of a hole on the dynamic response of a thin-walled cantilever beam made of carbon-epoxy laminate. Eigen-frequencies and corresponding global and local eigen-modes were considered, where deformations of the beam wall were dominant, without significant deformation of the beam axis. The study was focused on the circumferentially uniform stiffness (CUS) beam configuration. The laminate layers were arranged as [90/15(3)/90/15(3)/90]T. The finite element method was employed for numerical tests, using the Abaqus software package. Moreover, a few numerical results of the structure’s behaviour, with and without a hole, were verified experimentally. The experimental eigen-frequencies and the corresponding modes were obtained using an experimental modal analysis, comprising the LMS system with modal hammer. We found that the size and location of the hole affected the eigen-frequencies and corresponding modes. Furthermore, even a small hole in a beam could significantly change the shape of its local modes. The numerical and experimental results were observed to have high qualitative compliance.
In Vitro Dissolution of Na-Ca-P-Oxynitrides
Authors: Wójcik Natalia Anna , Sinitsyna Polina , Ali Sharafat , Hupa Leena , Jonson Bo
Published: December 2021

Sodium-calcium-phosphate based oxynitride glasses and glass-ceramics doped with Mg, Si, and Nb were studied in vitro in simulated body fluid (SBF) under static conditions. The release of ions and pH changes up to 7 days of immersion were investigated. The nitrogen incorporation into phosphate glass matrix was found to notably influence in vitro dissolution only of homogenous glasses. Increasing the nitrogen content in the samples decreased the mean mass loss, while the niobate incorporation increased it. The correlation between the nitrogen content and increase in pH of SBF was also observed. The presence of phosphates crystallites was found to support the dissolution process at the beginning step (up to 3 days).
Formation of Polymer-Carbon Nanotube Composites by Two-Step Supercritical Fluid Treatment
Authors: Vorobei Anton M. , Ustinovich Konstantin B. , Chernyak Sergei A. , Savilov Sergei V. , Parenago Olga O. , Kiselev Mikhail G.
Published: December 2021

An approach for polymer-carbon nanotube (CNT) composite preparation is proposed based on a two-step supercritical fluid treatment. The first step, rapid expansion of a suspension (RESS) of CNTs in supercritical carbon dioxide, is used to de-bundle CNTs in order to simplify their mixing with polymer in solution. The ability of RESS pre-treatment to de-bundle CNTs and to cause significant bulk volume expansion is demonstrated. The second step is the formation of polymer-CNT composite from solution via supercritical antisolvent (SAS) precipitation. SAS treatment allows avoiding CNT agglomeration during transition from a solution into solid state due to the high speed of phase transition. The combination of these two supercritical fluid methods allowed obtaining a polycarbonate-multiwalled carbon nanotube composite with tensile strength two times higher compared to the initial polymer and enhanced elasticity.
In Situ Synthesis of (M:Nb,Ta)C/Ni35 Composite Coating Cladded on 40Cr Steel
Authors: Jiang Gaoqiang , Cui Chengyun , Chen Lu , Wu Yucheng , Cui Xigui
Published: December 2021

To improve the wear and corrosion resistance of the pump barrel material (40Cr steel), a (M:Nb,Ta)C/Ni35 composite cladding coating by in situ synthesis of composite carbides was conducted. The effects of ceramic micro-particles content on the phase composition, microstructure of the coating, structural characteristics of (M:Nb,Ta)C and the tribology and electrochemical corrosion behavior were systematically studied. The increase of ceramic micro-particles changed the morphology of (M:Nb,Ta)C with the size from sub-micron to micron. The (M:Nb,Ta)C dispersed along the grain boundary inhibits the growth of the grains. During friction, the spherical structure exhibited a rolling lubrication effect and the petal structure provided a stronger attachment ability to resist the shear. The corrosion occurred at the grains, exhibiting corrosion pits, in which the high content ceramic micro-particles were relatively shallow. Moreover, a few dot corrosion pits were distributed along the grain boundaries without (M:Nb,Ta)C. Therefore, to improve the corrosion resistance, a thin composite carbide coating with good wear and corrosion resistance was prepared.
The Effect of Groove Shape on Molten Metal Flow Behaviour in Gas Metal Arc Welding
Authors: Ebrahimi Amin , Babu Aravind , Kleijn Chris R. , Hermans Marcel J. M. , Richardson Ian M.
Published: December 2021

One of the challenges for development, qualification and optimisation of arc welding processes lies in characterising the complex melt-pool behaviour which exhibits highly non-linear responses to variations of process parameters. The present work presents a computational model to describe the melt-pool behaviour in root-pass gas metal arc welding (GMAW). Three-dimensional numerical simulations have been performed using an enhanced physics-based computational model to unravel the effect of groove shape on complex unsteady heat and fluid flow in GMAW. The influence of surface deformations on the magnitude and distribution of the heat input and the forces applied to the molten material were taken into account. Utilising this model, the complex thermal and fluid flow fields in melt pools were visualised and described for different groove shapes. Additionally, experiments were performed to validate the numerical predictions and the robustness of the present computational model is demonstrated. The model can be used to explore the physical effects of governing fluid flow and melt-pool stability during gas metal arc root welding.
Effect of Tantalum Pentoxide Addition on the Radiopacity Performance of Bi2O3/Ta2O5 Composite Powders Prepared by Mechanical Milling
Authors: Lin Hsiu-Na , Lin Chung-Kwei , Chang Pei-Jung , Chang Wei-Min , Fang Alex , Chen Chin-Yi , Yu Chia-Chun , Lee Pee-Yew
Published: December 2021

Among the various phases of bismuth oxide, the high temperature metastable face-centered cubic δ phase attracts great attention due to its unique properties. It can be used as an ionic conductor or an endodontic radiopacifying material. However, no reports concerning tantalum and bismuth binary oxide prepared by high energy ball milling and serving as a dental radiopacifier can be found. In the present study, Ta2O5-added Bi2O3 composite powders were mechanically milled to investigate the formation of these metastable phases. The as-milled powders were examined by X-ray diffraction and scanning electron microscopy to reveal the structural evolution. The as-milled composite powders then served as the radiopacifier within mineral trioxide aggregates (i.e., MTA). Radiopacity performance, diametral tensile strength, setting times, and biocompatibility of MTA-like cements solidified by deionized water, saline, or 10% calcium chloride solution were investigated. The experimental results showed that subsequent formation of high temperature metastable β-Bi7.8Ta0.2O12.2, δ-Bi2O3, and δ-Bi3TaO7 phases can be observed after mechanical milling of (Bi2O3)95(Ta2O5)5 or (Bi2O3)80(Ta2O5)20 powder mixtures. Compared to its pristine Bi2O3 counterpart with a radiopacity of 4.42 mmAl, long setting times (60 and 120 min for initial and final setting times) and 84% MG-63 cell viability, MTA-like cement prepared from (Bi2O3)95(Ta2O5)5 powder exhibited superior performance with a radiopacity of 5.92 mmAl (the highest in the present work), accelerated setting times (the initial and final setting time can be shortened to 25 and 40 min, respectively), and biocompatibility (94% cell viability).
Principles of Stress-Strength Modelling of the Highly Thermally Loaded Materials—The Influence of an Effect of Strength Differential on the Material Effort
Authors: Ochrymiuk Tomasz , Dudda Waldemar , Froissart Marcin , Badur Janusz
Published: December 2021

This paper presents an improvement in the Huber–Mises–Hencky (HMH) material effort hypothesis proposed by Burzyński. Unlike the HMH hypothesis, it differentiates the plastic effort between compression and tensile load states, and links shear with tensile limit. Furthermore, it considers the fact that construction materials do not have infinite resistance in the pure tensile hydrostatic load state, which was proved by the static load experiment performed on St12T heat-resistant steel. The asymmetry between tensile and compressive loads is captured by the elastic region asymmetry coefficient ϰ, which was established by experiment for St12T steel in the temperature range between 20 °C and 800 °C.
Copper(II) Perfluorinated Carboxylate Complexes with Small Aliphatic Amines as Universal Precursors for Nanomaterial Fabrication
Authors: Szymańska Iwona B. , Madajska Katarzyna , Butrymowicz Aleksandra , Barwiołek Magdalena
Published: December 2021

Copper(II) carboxylate compounds with ethylamine and isopropylamine of the general formula [Cu2(RNH2)2(µ-O2CRf)4], where R = Et, iPr, and Rf = CnF2n+1, n = 1–6, were characterised in the condensed and gas phases by electron impact mass spectrometry (EI MS), IR spectroscopy, and thermal analysis. A mass spectra analysis confirmed the presence of metallated species in the gas phase. Among the observed fragments, the pseudomolecular ions [Cu2(RNH2)2(µ-O2CRf)3]+ were found, which suggests the dimeric structure of the studied complexes with axially N-coordinated ethyl- or isopropylamine molecules and bridging perfluorinated carboxylates. TGA studies demonstrated that copper transfer to the gas phase occurs even under atmospheric pressure. The temperature range of the [Cu2(RNH2)2(µ-O2CRf)4] and other copper carriers detection, observed in variable temperature infrared spectra, depends on the type of amine. The possible mechanisms of the decomposition of the tested compounds are proposed. The copper films were produced without additional reducing agents despite using Cu(II) CVD precursors in the chemical vapor deposition experiments. The layers of the gel-like complexes were fabricated in both spin- and dip-coating experiments, resulting in copper or copper oxide materials when heated. Dinuclear copper(II) carboxylate complexes with ethyl- and isopropylamine [Cu2(RNH2)2(µ-O2CRf)4] can be applied for the formation of metal or metal oxide materials, also in the nanoscale, by vapour and ‘wet’ deposition methods.
Chloride Diffusion by Build Orientation of Cementitious Material-Based Binder Jetting 3D Printing Mortar
Authors: Min Kyung-Sung , Park Kwang-Min , Lee Bong-Chun , Roh Young-Sook
Published: December 2021

Binder jetting 3D printing (BJ3DP) is used to create geometrical and topology-optimized building structures via architectural geometric design owing to its high degree of freedom in geometry implementation. However, building structures require high mechanical and durability performance. Because of the recent trend of using 3D printing concrete as a structural component in reinforcing bars, its durability with respect to chloride penetration needs to be reviewed. Therefore, in this study, the compressive strength and durability of the chloride diffusion of cement-based 3D-printed output were evaluated. In addition, to confirm the performance difference based on the build orientation, the compressive strength and chloride diffusion were evaluated with respect to the build direction and transverse direction. The experimental results show that the compressive strength was approximately 22.1–26.5% lower in the transverse direction than in the build direction and that the chloride diffusion coefficient was approximately 186.1–407.1% higher in the transverse direction. Consequently, when a structure that requires long-term durability is produced using BJ3DP, it is necessary to examine the design and manufacturing methods in relation to the build orientation in advance.
Role of Coating Processes on the Corrosion Kinetics and Mechanism of Zinc in Artificial Seawater
Authors: Singh Jitendra Kumar , Mandal Soumen , Adnin Raihana Jannat , Lee Han-Seung , Yang Hyun-Min
Published: December 2021

Zinc (Zn) coating is being used to protect steel structures from corrosion. There are different processes to deposit the coating onto a steel substrate. Therefore, in the present study, a 100 µm thick Zn coating was deposited by arc and plasma arc thermal spray coating processes, and the corrosion resistance performance was evaluated in artificial seawater. Scanning electron microscopy (SEM) results showed that the arc thermal spray coating exhibited splats and inflight particles, whereas plasma arc spraying showed a uniform and dense morphology. When the exposure periods were extended up to 23 d, the corrosion resistance of the arc as well as the plasma arc thermal spray coating increased considerably. This is attributed to the blocking characteristics of the defects by the stable hydrozincite (Zn5(OH)6(CO3)2).
Modification of the Structural, Microstructural, and Elastoplastic Properties of Aluminum Wires after Operation
Authors: Levin Aleksandr A. , Narykova Maria V. , Lihachev Alexey I. , Kardashev Boris K. , Kadomtsev Andrej G. , Brunkov Pavel N. , Panfilov Andrei G. , Prasolov Nikita D. , Sultanov Makhsud M. , Kuryanov Vasily N. , Tyshkevich Vladimir N.
Published: December 2021

The health of the components that make up the cables of power lines, and hence their service life, is governed at the micro level by changes in their structure and microstructure. In this paper, the structure and microstructure of aluminum wires of overhead power transmission lines (without a steel core) of different service life from 0 to 62 years have been investigated by quantitative techniques of X-ray diffraction, diffraction of back-scattered electrons, and the densitometric method. Elastoplastic properties of the wires have been tested by the acoustic-resonance method. A decrease in the Al material density Δρ/ρ∼−0.165% was found in the near-surface layer of ∼36 μm depth and in the bulk of the wires with an increase in the service life from 0 to 18 years. The density decrease is associated with the accumulation of microcracks. The following density increase (Δρ/ρ∼−0.06%) in wires with a service life of 62 years is attributed to the formation of ∼0.7 vol.% of crystalline Al oxides in the near-surface layers of the wires. The nature of the change in the elastic modulus, microplastic flow stress, and decrement indicates complex structural changes correlating with the results obtained by diffraction methods.
Additive Manufacturing of a Special-Shaped Energetic Grain and Its Performance
Authors: Chen Yongjin , Ba Shuhong , Ren Hui
Published: December 2021

In order to solve the problems of the complicated forming process, poor adaptability, low safety, and high cost of special-shaped energetic grains, light-curing 3D printing technology was applied to the forming field of energetic grains, and the feasibility of 3D printing (additive manufacturing) complex special-shaped energetic grains was explored. A photocurable resin was developed. A demonstration formula of a 3D printing energetic slurry composed of 41 wt% ultra-fine ammonium perchlorate (AP), 11 wt% modified aluminum (Al), and 48 wt% photocurable resin was fabricated. The special-shaped energetic grains were successfully 3D printed based on light-curing 3D printing technology. The optimal printing parameters were obtained. The microstructure, density, thermal decomposition, combustion performance, and mechanical properties of the printed grain were characterized. The microstructure of the grain shows that the surface of the grain is smooth, the internal structure is dense, and there are no defects. The average density is 1.606 g·cm−3, and the grain has good uniformity and stability. The thermal decomposition of the grain shows that it can be divided into three stages: endothermic, exothermic, and secondary exothermic, and the Al of the grain has a significant catalytic effect on the thermal decomposition of AP. The combustion performance of the grain shows that a uniform flame with a one-way jet is produced, and the average burning rate is 5.11 mm·s−1. The peak pressure of the sample is 45.917 KPa, and the pressurization rate is 94.874 KPa·s−1. The analysis of the mechanical properties shows that the compressive strength is 9.83 MPa and the tensile strength is 8.78 MPa.
Synthesis and Computational Characterization of Organic UV-Dyes for Cosensitization of Transparent Dye-Sensitized Solar Cells
Authors: Alnoman Rua B. , Nabil Eman , Parveen Shazia , Hagar Mohamed , Zakaria Mohamed , Hasanein Ahmed A.
Published: December 2021

The fabrication of colorless and see-through dye-sensitized solar cells (DSCs) requires the photosensitizers to have little or no absorption in the visible light region of the solar spectrum. However, a trade-off between transparency and power conversion efficiency (PCE) has to be tackled, since most transparent DSCs are showing low PCE when compared to colorful and opaque DSCs. One strategy to increase PCE is applying two cosensitizers with selective conversion of the UV and NIR radiation, therefore, the non-visible part only is absorbed. In this study, we report synthesis of novel five UV-selective absorbers, based on diimide and Schiff bases incorporating carboxyl and pyridyl anchoring groups. A systematic computational investigation using density functional theory (DFT) and time-dependent DFT approaches was employed to evaluate their prospect of application in transparent DSCs. Experimental UV/Vis absorption spectra showed that all dyes exhibit an absorption band covering the mid/near-UV region of solar spectrum, with a bathochromic shift and a hyperchromic shifts for Py-1 dye. Computational results showed that the studied dyes satisfied the basic photophysical and energetics requirements of operating DSC as well as the stability and thermodynamical spontaneity of adsorption onto surface of TiO2. However, results revealed outperformance of the thienothiophene core-containing Py-1 UV-dye, owing to its advantageous structural attributes, improved conjugation, intense emission, large Stokes shift and maximum charge transferred to the anchor. Chemical compatibility of Py-1 dye was then theoretically investigated as a potential cosensitizer of a reference VG20-C2 NIR-dye. By the judicious selection of pyridyl anchor-based UV-absorber (Py-1) and carboxyl anchor-based NIR-absorber (VG20), the advantage of the optical complementarity and selectivity of different TiO2-adsorption-site (Lewis- and Bronsted-acidic) can be achieved. An improved overall PCE is estimated accordingly.
Inorganic Nanomaterial for Biomedical Imaging of Brain Diseases
Authors: Du Wenxian , Zhou Lingling , Zhang Qiang , Liu Xin , Wei Xiaoer , Li Yuehua
Published: December 2021

In the past few decades, brain diseases have taken a heavy toll on human health and social systems. Magnetic resonance imaging (MRI), photoacoustic imaging (PA), computed tomography (CT), and other imaging modes play important roles in disease prevention and treatment. However, the disadvantages of traditional imaging mode, such as long imaging time and large noise, limit the effective diagnosis of diseases, and reduce the precision treatment of diseases. The ever-growing applications of inorganic nanomaterials in biomedicine provide an exciting way to develop novel imaging systems. Moreover, these nanomaterials with special physicochemical characteristics can be modified by surface modification or combined with functional materials to improve targeting in different diseases of the brain to achieve accurate imaging of disease regions. This article reviews the potential applications of different types of inorganic nanomaterials in vivo imaging and in vitro detection of different brain disease models in recent years. In addition, the future trends, opportunities, and disadvantages of inorganic nanomaterials in the application of brain diseases are also discussed. Additionally, recommendations for improving the sensitivity and accuracy of inorganic nanomaterials in screening/diagnosis of brain diseases.
Embedding Photoacids into Polymer Opal Structures: Synergistic Effects on Optical and Stimuli-Responsive Features
Authors: Bitsch Martin , Boehm Anna Katharina , Grandjean Alexander , Jung Gregor , Gallei Markus
Published: December 2021

Opal films with their vivid structural colors represent a field of tremendous interest and obtained materials offer the possibility for many applications, such as optical sensors or anti-counterfeiting materials. A convenient method for the generation of opal structures relies on the tailored design of core-interlayer-shell (CIS) particles. Within the present study, elastomeric opal films were combined with stimuli-responsive photoacids to further influence the optical properties of structurally colored materials. Starting from cross-linked polystyrene (PS) core particles featuring a hydroxy-rich and polar soft shell, opal films were prepared by application of the melt-shear organization technique. The photoacid tris(2,2,2-trifluoroethyl) 8-hydroxypyrene-1,3,6-trisulfonate (TFEHTS) could be conveniently incorporated during freeze-drying the particle dispersion and prior to the melt-shear organization. Furthermore, the polar opal matrix featuring hydroxylic moieties enabled excited-state proton transfer (ESPT), which is proved by spectroscopic evaluation. Finally, the influence of the photoacid on the optical properties of the 3-dimensional colloidal crystals were investigated within different experimental conditions. The angle dependence of the emission spectra unambiguously shows the selective suppression of the photoacid’s fluorescence in its deprotonated state.
Design of a High-Sensitivity Dimeric G-Quadruplex/Hemin DNAzyme Biosensor for Norovirus Detection
Authors: Zhang Yun , Ma Xinao , Zhang Jingtian , Luo Feixian , Wang Wenshu , Cui Xiaojie
Published: December 2021

G-quadruplexes can bind with hemin to form peroxidase-like DNAzymes that are widely used in the design of biosensors. However, the catalytic activity of G-quadruplex/hemin DNAzyme is relatively low compared with natural peroxidase, which hampers its sensitivity and, thus, its application in the detection of nucleic acids. In this study, we developed a high-sensitivity biosensor targeting norovirus nucleic acids through rationally introducing a dimeric G-quadruplex structure into the DNAzyme. In this strategy, two separate molecular beacons each having a G-quadruplex-forming sequence embedded in the stem structure are brought together through hybridization with a target DNA strand, and thus forms a three-way junction architecture and allows a dimeric G-quadruplex to form, which, upon binding with hemin, has a synergistic enhancement of catalytic activities. This provides a high-sensitivity colorimetric readout by the catalyzing H2O2-mediated oxidation of 2,2′-azino-bis(3-ethylbenzothiazoline -6-sulfonic acid) diammonium salt (ABTS). Up to 10 nM of target DNA can be detected through colorimetric observation with the naked eye using our strategy. Hence, our approach provides a non-amplifying, non-labeling, simple-operating, cost-effective colorimetric biosensing method for target nucleic acids, such as norovirus-conserved sequence detection, and highlights the further implication of higher-order multimerized G-quadruplex structures in the design of high-sensitivity biosensors.
Convenient Synthesis of Benziodazolone: New Reagents for Direct Esterification of Alcohols and Amidation of Amines
Authors: Shea Michael T. , Rohde Gregory T. , Vlasenko Yulia A. , Postnikov Pavel S. , Yusubov Mekhman S. , Zhdankin Viktor V. , Saito Akio , Yoshimura Akira
Published: December 2021

Hypervalent iodine heterocycles represent one of the important classes of hypervalent iodine reagents with many applications in organic synthesis. This paper reports a simple and convenient synthesis of benziodazolones by the reaction of readily available iodobenzamides with m-chloroperoxybenzoic acid in acetonitrile at room temperature. The structure of one of these new iodine heterocycles was confirmed by X-ray analysis. In combination with PPh3 and pyridine, these benziodazolones can smoothly react with alcohols or amines to produce the corresponding esters or amides of 3-chlorobenzoic acid, respectively. It was found that the novel benziodazolone reagent reacts more efficiently than the analogous benziodoxolone reagent in this esterification.
A Rapid and Simple UHPLC-MS/MS Method for Quantification of Plasma Globotriaosylsphingosine (lyso-Gb3)
Authors: Perrone Alessandro , Mohamed Susan , Donadio Vincenzo , Liguori Rocco , Contin Manuela
Published: December 2021

Fabry disease (FD) is a rare X-linked lysosomal storage disorder caused by α-galactosidase A gene (GLA) mutations, resulting in loss of activity of the lysosomal hydrolase, α-galactosidase A (α-Gal A). As a result, the main glycosphingolipid substrates, globotriaosylceramide (Gb3) and globotriaosylsphingosine (lyso-Gb3), accumulate in plasma, urine, and tissues. Here, we propose a simple, fast, and sensitive method for plasma quantification of lyso-Gb3, the most promising secondary screening target for FD. Assisted protein precipitation with methanol using Phree cartridges was performed as sample pre-treatment and plasma concentrations were measured using UHPLC-MS/MS operating in MRM positive electrospray ionization. Method validation provided excellent results for the whole calibration range (0.25–100 ng/mL). Intra-assay and inter-assay accuracy and precision (CV%) were calculated as <10%. The method was successfully applied to 55 plasma samples obtained from 34 patients with FD, 5 individuals carrying non-relevant polymorphisms of the GLA gene, and 16 healthy controls. Plasma lyso-Gb3 concentrations were larger in both male and female FD groups compared to healthy subjects (p < 0.001). Normal levels of plasma lyso-Gb3 were observed for patients carrying non-relevant mutations of the GLA gene compared to the control group (p = 0.141). Dropping the lower limit of quantification (LLOQ) to 0.25 ng/mL allowed us to set the optimal plasma lyso-Gb3 cut-off value between FD patients and healthy controls at 0.6 ng/mL, with a sensitivity of 97.1%, specificity of 100%, and accuracy of 0.998 expressed by the area under the ROC curve (C.I. 0.992 to 1.000, p-value < 0.001). Based on the results obtained, this method can be a reliable tool for early phenotypic assignment, assessing diagnoses in patients with borderline GalA activity, and confirming non-relevant mutations of the GLA gene.
Chemical Composition and Preliminary Toxicity Evaluation of the Essential Oil from Peperomia circinnata Link var. circinnata. (Piperaceae) in Artemia salina Leach
Authors: Mesquita Késsia , Feitosa Bruna , Cruz Jorddy , Ferreira Oberdan , Franco Celeste , Cascaes Márcia , Oliveira Mozaniel , Andrade Eloisa
Published: December 2021

Peperomia Ruiz and Pav, the second largest genus of the Piperaceae, has over the years shown potential biological activities. In this sense, the present work aimed to carry out a seasonal and circadian study on the chemical composition of Peperomia circinata essential oils and aromas, as well as to evaluate the preliminary toxicity in Artemia salina Leach and carry out an in silico study on the interaction mechanism. The chemical composition was characterized by gas chromatography (GC/MS and GC-FID). In the seasonal study the essential oil yields had a variation of 1.2–7.9%, and in the circadian study the variation was 1.5–5.6%. The major compounds in the seasonal study were β-phellandrene and elemicin, in the circadian they were β-phellandrene and myrcene, and the aroma was characterized by the presence of β-phellandrene. The multivariate analysis showed that the period and time of collection influenced the essential oil and aroma chemical composition. The highest toxicity value was observed for the essential oil obtained from the dry material, collected in July with a value of 14.45 ± 0.25 μg·mL−1, the in silico study showed that the major compounds may be related to potential biological activity demonstrated by the present study.
HRMS Characterization, Antioxidant and Cytotoxic Activities of Polyphenols in Malus domestica Cultivars from Costa Rica
Authors: Navarro-Hoyos Mirtha , Arnáez-Serrano Elizabeth , Quesada-Mora Silvia , Azofeifa-Cordero Gabriela , Wilhelm-Romero Krissia , Quirós-Fallas Maria Isabel , Alvarado-Corella Diego , Vargas-Huertas Felipe , Sánchez-Kopper Andrés
Published: December 2021

There is increasing interest in research into fruits as sources of secondary metabolites because of their potential bioactivities. In this study, the phenolic profiles of Malus domestica Anna and Jonagold cultivars from Costa Rica were determined by Ultra Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (HRMS) using a quadrupole-time-of-flight analyzer (UPLC-QTOF-ESI MS), on enriched-phenolic extracts from skins and flesh, obtained through Pressurized Liquid Extraction (PLE). In total, 48 different phenolic compounds were identified in the skin and flesh extracts, comprising 17 flavan-3-ols, 12 flavonoids, 4 chalcones, 1 glycosylated isoprenoid and 14 hydroxycinnamic acids and derivatives. Among extracts, the flesh of Jonagold exhibits a larger number of polyphenols and is especially rich in procyanidin trimers, tetramers and pentamers. Evaluating total phenolic content (TPC) and antioxidant activities using ORAC and DPPH procedures yields higher values for this extract (608.8 mg GAE/g extract; 14.80 mmol TE/g extract and IC50 = 3.96 µg/mL, respectively). In addition, cytotoxicity evaluated against SW620 colon cancer cell lines and AGS gastric cancer cell lines also delivered better effects for Jonagold flesh (IC50 = 62.4 and 60.0 µg/mL, respectively). In addition, a significant negative correlation (p < 0.05) was found between TPC and cytotoxicity values against SW620 and AGS adenocarcinoma (r = −0.908, and −0.902, respectively). Furthermore, a significant negative correlation (p < 0.05) was also found between the number of procyanidins and both antioxidant activities and cytotoxicity towards SW620 (r = −0.978) and AGS (r = −0.894) cell lines. These results align with Jonagold flesh exhibiting the highest abundance in procyanidin oligomers and yielding better cytotoxic and antioxidant results. In sum, our findings suggest the need for further studies on these Costa Rican apple extracts—and particularly on the extracts from Jonagold flesh—to increase the knowledge on their potential benefits for health.
Berberine as a Potential Anticancer Agent: A Comprehensive Review
Authors: Rauf Abdur , Abu-Izneid Tareq , Khalil Anees Ahmed , Imran Muhammad , Shah Zafar Ali , Emran Talha Bin , Mitra Saikat , Khan Zidan , Alhumaydhi Fahad A. , Aljohani Abdullah S. M. , Khan Ishaq , Rahman Md. Mominur , Jeandet Philippe , Gondal Tanweer Aslam
Published: December 2021

Berberine (BBR), a potential bioactive agent, has remarkable health benefits. A substantial amount of research has been conducted to date to establish the anticancer potential of BBR. The present review consolidates salient information concerning the promising anticancer activity of this compound. The therapeutic efficacy of BBR has been reported in several studies regarding colon, breast, pancreatic, liver, oral, bone, cutaneous, prostate, intestine, and thyroid cancers. BBR prevents cancer cell proliferation by inducing apoptosis and controlling the cell cycle as well as autophagy. BBR also hinders tumor cell invasion and metastasis by down-regulating metastasis-related proteins. Moreover, BBR is also beneficial in the early stages of cancer development by lowering epithelial–mesenchymal transition protein expression. Despite its significance as a potentially promising drug candidate, there are currently no pure berberine preparations approved to treat specific ailments. Hence, this review highlights our current comprehensive knowledge of sources, extraction methods, pharmacokinetic, and pharmacodynamic profiles of berberine, as well as the proposed mechanisms of action associated with its anticancer potential. The information presented here will help provide a baseline for researchers, scientists, and drug developers regarding the use of berberine as a promising candidate in treating different types of cancers.
Enhanced Furfural Production in Deep Eutectic Solvents Comprising Alkali Metal Halides as Additives
Authors: Morais Eduarda S. , Freire Mara G. , Freire Carmen S. R. , Silvestre Armando J. D.
Published: December 2021

The addition of alkali metal halide salts to acidic deep eutectic solvents is here reported as an effective way of boosting xylan conversion into furfural. These salts promote an increase in xylose dehydration due to the cation and anion interactions with the solvent being a promising alternative to the use of harsh operational conditions. Several alkali metal halides were used as additives in the DES composed of cholinium chloride and malic acid ([Ch]Cl:Mal) in a molar ratio of 1:3, with 5 wt.% of water. These mixtures were then used as both solvent and catalyst to produce furfural directly from xylan through microwave-assisted reactions. Preliminary assays were carried out at 150 and 130 °C to gauge the effect of the different salts in furfural yields. A Response Surface Methodology was then applied to optimize the operational conditions. After an optimization of the different operating conditions, a maximum furfural yield of 89.46 ± 0.33% was achieved using 8.19% of lithium bromide in [Ch]Cl:Mal, 1:3; 5 wt.% water, at 157.3 °C and 1.74 min of reaction time. The used deep eutectic solvent and salt were recovered and reused three times, with 79.7% yield in the third cycle, and the furfural and solvent integrity confirmed.
Altitudinal Variation of Metabolites, Mineral Elements and Antioxidant Activities of Rhodiola crenulata (Hook.f. & Thomson) H.Ohba
Authors: Dong Tingting , Sha Yueqi , Liu Hairong , Sun Liwei
Published: December 2021

Rhodiolacrenulata (Hook.f. & Thomson) H.Ohba is an alpine medicinal plant that can survive in extreme high altitude environments. However, its changes to extreme high altitude are not yet clear. In this study, the response of Rhodiola crenulata to differences in altitude gradients was investigated through chemical, ICP-MS and metabolomic methods. A targeted study of Rhodiola crenulata growing at three vertical altitudes revealed that the contents of seven elements Ca, Sr, B, Mn, Ni, Cu, and Cd, the phenolic components, the ascorbic acid, the ascorbic acid/dehydroascorbate ratio, and the antioxidant capacity were positively correlated with altitude, while the opposite was true for total ascorbic acid content. Furthermore, 1165 metabolites were identified: flavonoids (200), gallic acids (30), phenylpropanoids (237), amino acids (100), free fatty acids and glycerides (56), nucleotides (60), as well as other metabolites (482). The differential metabolite and biomarker analyses suggested that, with an increasing altitude: (1) the shikimic acid-phenylalanine-phenylpropanoids-flavonoids pathway was enhanced, with phenylpropanoids upregulating biomarkers much more than flavonoids; phenylpropanes and phenylmethanes upregulated, and phenylethanes downregulated; the upregulation of quercetin was especially significant in flavonoids; upregulation of condensed tannins and downregulation of hydrolyzed tannins; upregulation of shikimic acids and amino acids including phenylalanine. (2) significant upregulation of free fatty acids and downregulation of glycerides; and (3) upregulation of adenosine phosphates. Our findings provide new insights on the responses of Rhodiola crenulata to extreme high altitude adversity.
Diet Quality Assessment in Wheelchair Users with Multiple Sclerosis
Authors: Silveira Stephanie L. , Jeng Brenda , Cutter Gary , Motl Robert W.
Published: December 2021

Background: Diet quality has not been distinctively examined in wheelchair users with multiple sclerosis (MS). Methods: This cross-sectional study examined the Diet History Questionnaire (DHQ) III and the Automated Self-Administered 24-h (ASA24) Dietary Assessment Tool in 128 wheelchair users with MS. Participants were prompted to complete the DHQ-III and 3 ASA24 recalls during a seven-day data collection period. Healthy Eating Index (HEI)-2015 scores were calculated for DHQ-III and ASA24, and scores were compared with normative values. Spearman’s correlation analyses (rs) estimated the associations between DHQ-III and ASA24 HEI-2015 total and component scores with supportive paired sample t-tests. Results: HEI-2015 scores for DHQ-III and ASA24 were significantly higher than normative values for total score, total protein foods, and added sugar. Correlations between HEI-2015 scores generated using ASA24 and DHQ-III were all statistically significant (range rs = 0.23–0.69); however, significant differences between ASA24 and DHQ-III values were noted for HEI-2015 total score, total fruits, whole fruit, total vegetable, greens and beans, whole grains, seafood and plant protein, refined grains, and saturated fats. Conclusion: This study provided a novel description of diet quality in wheelchair users with MS for guiding future research promoting healthy eating in this population.