bluuebunny/crossref_metadata_2025 huggingface dataset:
Hand Grip Strength, Osteoporosis, and Quality of Life in Middle-Aged and Older Adults
Authors: Park Hyo Jin , Han Byoungduck , Chang So-youn , Kang Seung Ho , Lee Dae Wook , Kang Seok
Published: December 2023

Background and Objectives: Hand grip strength (HGS) and osteoporosis are known to be closely related to the health condition of the elderly, respectively. Comprehensive studies including adults over middle age were insufficient. This study aimed to investigate the relationship between HGS with osteoporosis and health-related quality of life (HRQoL) in adults aged >40 years. Materials and Methods: This cross-sectional analysis included data from 13,966 people aged >40 years between 2015 to 2018 provided by the Korea National Health and Nutrition Examination Survey. The HGS was divided into strong and weak quartiles, defined as the highest and lowest quartiles, respectively. We used the European Quality of Life Scale-Five dimensions (EQ-5D) for HRQoL. We performed multiple logistic regression and post hoc analysis to confirm the relationship between the four groups and HRQoL. Results: Osteoporotic patients with weak HGS showed the lowest EQ-5D index (0.87 ± 0.01) among all groups and had a significantly impaired HRQoL in all EQ-5D dimensions, at least 1.75 times more than healthy individuals with strong HGS (0.95 ± 0.00). Osteoporotic patients with weak HGS showed, notably, 2.68 times more impaired mobility compared to healthy individuals with strong HGS among all five dimensions of the EQ-5D. In self-care, significant sex differences in impaired HRQoL were observed (males 6.03, 2.23–16.35; females 2.51, 1.70–3.71). Conclusions: Weak HGS and the presence of osteoporosis were associated with low HRQoL, respectively. Middle-aged and older adults with both weak HGS and osteoporosis showed poorer HRQoL compared to healthy middle-aged and older adults. This suggests that HGS is a possible factor for predicting poor HRQoL in adults aged >40 years with or without osteoporosis. It is necessary to assess the risk of low HRQoL by measuring HGS and confirming whether osteoporosis is accompanied in adults over middle age.
Membrane Proteins: Function, Structure, and Dynamics
Authors: Senju Yosuke , Suetsugu Shiro
Published: December 2023

Plasma and intracellular membranes are characterized by different lipid compositions that enable proteins to localize to distinct subcellular compartments [...]
Effect of Alloying Elements Mg and Cu on the Modification of Eutectic Silicon in Hypoeutectic Al–Si Alloys
Authors: Huang Li , Du Xuchu , Zhuang Qianyu , Huang Chunfa , Li Jianguo
Published: December 2023

The modification of eutectic silicon plays a crucial role in enhancing the mechanical properties of hypoeutectic Al–Si alloys. However, there is still limited understanding regarding the factors that affect the modification of eutectic silicon in hypoeutectic Al–Si alloys, particularly in terms of the role played by alloying elements during the modification process. In order to address this gap, this study aimed to investigate the influence of two key alloying elements, Mg and Cu, on the modification effect of Sr. To achieve this, the morphology of eutectic silicon in the as-cast and heat-treated states of Al–7Si alloy, modified with Sr, was examined using scanning electron microscopy (SEM). Different levels of magnesium and copper content were used to analyze their impact on the modification effect of Sr. The results obtained from the analysis revealed that both Mg and Cu significantly weaken the modification effect of strontium on eutectic silicon. Furthermore, it was observed that the degree of deterioration in the modification effect increases progressively with higher alloying element content. Interestingly, increasing the strontium content and adjusting the cooling rate were found to be ineffective in eliminating this weakening effect caused by Mg and Cu. These findings highlight the complex interplay between alloying elements and the modification process of eutectic silicon in hypoeutectic Al–Si alloys. A deeper understanding of these factors is essential for the development of effective strategies to optimize the mechanical properties of such alloys.
Altitudinal Variation on Metabolites, Elements, and Antioxidant Activities of Medicinal Plant Asarum
Authors: Pan Liben , Yang Nan , Sui Yushu , Li Yi , Zhao Wen , Zhang Liqiu , Mu Liqiang , Tang Zhonghua
Published: December 2023

Asarum (Asarum sieboldii Miq. f. seoulense (Nakai) C. Y. Cheng et C. S. Yang) is a medicinal plant that contains asarinin and sesamin, which possess extensive medicinal value. The adaptation and distribution of Asarum’s plant growth are significantly affected by altitude. Although most studies on Asarum have concentrated on its pharmacological activities, little is known about its growth and metabolites with respect to altitude. In this study, the physiology, ionomics, and metabolomics were investigated and conducted on the leaves and roots of Asarum along an altitude gradient, and the content of its medicinal components was determined. The results showed that soil pH and temperature both decreased along the altitude, which restricts the growth of Asarum. The accumulation of TOC, Cu, Mg, and other mineral elements enhanced the photosynthetic capacity and leaf plasticity of Asarum in high-altitude areas. A metabolomics analysis revealed that, at high altitude, nitrogen metabolism in leaves was enhanced, while carbon metabolism in roots was enhanced. Furthermore, the metabolic pathways of some phenolic substances, including syringic acid, vanillic acid, and ferulic acid, were altered to enhance the metabolism of organic acids. The study uncovered the growth and metabolic responses of Asarum to varying altitudes, providing a theoretical foundation for the utilization and cultivation of Asarum.
SlbHLH22-Induced Hypertrophy Development Is Related to the Salt Stress Response of the GTgamma Gene in Tomatoes
Authors: Cui Baolu , Yu Min , Bai Jiaojiao , Zhu Zhiguo
Published: December 2023

Hypertrophy development induced by the overexpression of SlbHLH22 (also called SlUPA-like) was susceptible to Xanthomonas in tomatoes. Transcriptome and metabolome analyses were performed on the hypertrophy leaves of a SlbHLH22-overexpressed line (OE) and wild type (WT) to investigate the molecular mechanism. Metabolome analysis revealed that six key metabolites were over-accumulated in the OE, including Acetylserine/O-Acetyl-L-serine, Glucono-1,5-lactone, Gluconate, 2-Oxoglutarate, and Loganate, implying that the OE plants increased salt or oxidant resistance under normal growth conditions. The RNA-seq analysis showed the changed expressions of downstream genes involved in high-energy consumption, photosynthesis, and transcription regulation in OE lines, and we hypothesized that these biological processes were related to the GTgamma subfamily of trihelix factors. The RT-PCR results showed that the expressions of the GTgamma genes in tomatoes, i.e., SlGT-7 and SlGT-36, were suppressed in the hypertrophy development. The expression of the GTgamma gene was downregulated by salinity, indicating a coordinated role of GTgamma in hypertrophy development and salt stress. Further research showed that both SlGT-7 and SlGT-36 were highly expressed in leaves and could be significantly induced by abscisic acid (ABA). The GTgamma protein had a putative phosphorylation site at S96. These results suggested GTgamma’s role in hypertrophy development by increasing the salt resistance.
Anaerobic Co-Digestion of Vinasse and Pentose Liquor and the Role of Micronutrients in Methane Production within Sugarcane Biorefineries
Authors: Freitas Gabriela P. , Lima Brenno Vinicius M. , Volpi Maria Paula C. , Rodriguez Renata P. , Moraes Bruna S.
Published: December 2023

Anaerobic digestion (AD) of residues from integrated first- and second-generation ethanol (1G2G) biorefineries is a sustainable method for energy recovery through biogas production. This study evaluated the co-digestion of 1G vinasse, 2G vinasse and pentose liquor (from the pretreatment of sugarcane bagasse for 2G ethanol production) compared to individual digestions using biochemical methane potential (BMP) assays. The results showed some “key” micronutrients from the substrates that affected methane (CH4) production, while their balance provided by co-digestion achieved high digestibility (95%). High iron (Fe) and nickel (Ni) concentrations, in addition to furfural (0.33 g L−1) in pentose liquor seemed to decrease its CH4 production potential. Despite these adverse effects observed in mono-digestion, co-digestion was beneficial for this substrate, increasing digestibility (52%) and BMP (118%). The highest BMP was observed in vinasse 2G (631 ± 6 NmL CH4 gTVS−1), with no significant difference compared to the adjusted modified Gompertz model (624 ± 10 NmL CH4 gTVS−1). The co-digestion system also presented the highest specific CH4 production rate (20 ± 1 NmL CH4 gTVS−1day−1) and shortened the lag phase by 19% compared to the AD of isolated 1G vinasse with the second lowest BMP value (494 ± 11 NmL CH4 gTVS−1).
Numerical Study of Flow and Heat Transfer Characteristics for Al2O3 Nanofluid in a Double-Pipe Helical Coil Heat Exchanger
Authors: Nam Hyeon Taek , Lee Sumin , Kong Minsuk , Lee Seungro
Published: December 2023

To numerically investigate the flow and heat transfer characteristics of a water/Al2O3 nanofluid in a double-pipe helical coil heat exchanger, we simulated a two-phase Eulerian model to predict the heat transfer coefficient, Nusselt number, and pressure drop at various concentrations (i.e., volume fraction) and under diverse flow rates at the steady state. In this simulation, we used the k-epsilon turbulence model with an enhanced wall treatment method. The performance factor of the nanofluid was evaluated by accounting for the heat transfer and pressure drop characteristics. As a result, the heat transfer was enhanced by increasing the nanofluid concentration. The 1.0 vol.% nanofluid (i.e., the highest concentration) showed a heat transfer coefficient 1.43 times greater than water and a Nusselt number of 1.38 times greater than water. The pressure drop of nanofluids was greater than that of water due to the increased density and viscosity induced using nanoparticles. Based on the relationship between the Nusselt number and pressure drop, the 1.0 vol.% nanofluid was calculated to have a performance factor of 1.4 relative to water, indicating that the enhancement rate in heat transfer performance was greater than that in the pressure drop. In conclusion, the Al2O3 nanofluid shows potential as an enhanced working fluid in diverse heat transfer applications.
Development of a 3-DOF Angle Sensor Based on a Single Laser Interference Probe
Authors: Yu Liang , Feng Xingyang , Hu Pengcheng , Lin Xionglei , Jing Tao
Published: December 2023

The development of high-precision satellites has increased the demand for ultraprecision three-degrees-of-freedom (3-DOF) angle measurements for detecting structural deformation. The required instrument should simultaneously measure pitch, yaw, and roll angles using a single reference point. This paper proposes a 3-DOF angle measurement method based on the wavefront interference principle, and a mathematical model and its decoupling algorithm were built. Then, an angle-sensing probe with an extremely simple structure was designed and constructed. Finally, a series of experiments were performed to verify the method’s feasibility. The experiment results showed that the roll, pitch, and yaw measurement resolution of the probe was better than 10, 1, and 1 μrad, respectively, providing a high-performance 3-DOF angle measurement with a single probe. The short-term stabilities of roll, pitch, and yaw were better than 22, 1.7, and 2.0 μrad, respectively.
Thermal Characterization of Rarefied Flows in Rhombic Microchannels
Authors: Vocale Pamela , Morini Gian Luca
Published: December 2023

This work aimed to numerically investigate the dynamic and thermal behavior of a fully developed, laminar, gaseous flow in a microchannel featuring a rhombic cross-section. Due to new fabrication techniques, microducts with rhombic cross-sections have recently received more attention. The momentum and energy balance equations were solved by using a commercial CDF code and assuming the slip and the H2 boundary conditions. The temperature jump between the wall and the adjacent fluid was also taken into account. The accuracy of the numerical results was checked by using the data available in the literature in terms of velocity profiles in the slip flow regime and the Nusselt number in the continuum flow regime. To also investigate the geometry effects on the fluid behavior, several values of the side angle of the rhombus were considered. The numerical results revealed that the rarefaction degree and geometrical properties significantly affected the Nusselt number.
Development of High-Performance Flexible Radiative Cooling Film Using PDMS/TiO2 Microparticles
Authors: Jung Junbo , Yoon Siwon , Kim Bumjoo , Kim Joong Bae
Published: December 2023

Radiative cooling, which cools an object below its surrounding temperature without any energy consumption, is one of the most promising techniques for zero-energy systems. In principle, the radiative cooling technique reflects incident solar energy and emits its thermal radiation energy into outer space. To achieve maximized cooling performance, it is crucial to attain high spectral reflectance in the solar spectrum (0.3–2.5 μm) and high spectral emittance in the atmospheric window (8–13 μm). Despite the development of various radiative cooling techniques such as photonic crystals and metamaterials, applying the cooling technology in practical applications remains challenging due to its low flexibility and complicated manufacturing processes. Here, we develop a high-performance radiative cooling film using PDMS/TiO2 microparticles. Specifically, the design parameters such as microparticle diameter, microparticle volume fraction, and film thickness are considered through optical analysis. Additionally, we propose a novel fabrication process using low viscosity silicone oil for practical fabrication. The fabricated film accomplishes 67.1 W/m2 of cooling power, and we also analyze the cooling performance difference depending on the fabrication process based on the measurement and optical calculation results.
Precious-Metal Mineralization and Formation Conditions of the Biche-Kadyr-Oos Epithermal Au-Ag Ore Occurrence (Eastern Sayan, Russia)
Authors: Kuzhuget Renat V. , Ankusheva Natalia N. , Hertek Ailai K. , Kalinin Yuri A. , Damdinov Bulat B. , Pirajno Franco , Butanaev Yuri V. , Suge-Maadyr Nadezhda V. , Soldup Sholban N.
Published: December 2023

The Biche-Kadyr-Oos epithermal Au-Ag ore occurrence is a prospective object in the Ak-Sug porphyry copper ore cluster (Eastern Sayan) in the northern part of the Central Asian orogenic belt (CAOB). The mineralization consists of gold-sulfide-quartz and gold-polysulfide-carbonate-quartz veins with argillic zones in the Lower Cambrian volcanic-sedimentary rocks. The origin of the Au-Ag ore occurrence is still debatable. To determine the origin, we examined the mineralogical and geochemical features, conditions of formation, and fluid sources of the Biche-Kadyr-Oos ore. A mineralogical and geochemical investigation outlines three stages of mineral formation: early argillic stage; gold-sulfide-quartz stage with pyrite, marcasite, pyrrhotite, arsenopyrite, chalcopyrite, less frequently sphalerite, hessite, gold, and electrum; and late gold-polysulfide-carbonate-quartz stage with gold, electrum, Hg-electrum, Se-acanthite, Se-galena, bornite, tennantite, tetrahedrite, hessite, tellurobismuthite, bismuthinite, matildite, jamesonite, ourayite, native Bi, and barite. Fluid inclusion study (thermometry, Raman spectroscopy) in quartz and mineral thermometry (electrum and sphalerite paragenesis) determined that ore veins were formed at P~0.5 kbar from CO2-water Na-K-chloride fluid (4.9–9.6 wt % NaCl eqv) and temperatures from 300 to 200 °C (early gold-sulfide-quartz veins at 300–230 °C, and late gold-polysulfide-carbonate-quartz veins at 290–200 °C) and variations in fO2, fS2, fSe2 and fTe2. The S isotopic composition in sulfides and δ34SH2S values of the fluid are +1.3‰ and +4.7‰, respectively, (T = 300–275 °C) indicating magmatic S in ore formation. The oxygen isotope data indicate that during the formation of veins, the magmatic fluid mixed with meteoric water (δ18Ofluid is from +3.4 to +6.4‰). The isotopic data that were obtained combined with mineralogical and geochemical features and conditions of ore formation indicate the similarity of Biche-Kadyr-Oos ore occurrence with epithermal Au-Ag deposits of intermediate sulfidation (IS) type. The presence of epithermal Au-Ag mineralization of the Biche-Kadyr-Oos IS type in ore cluster of the Ak-Sug Cu-Au-Mo porphyry deposit indicates the existence of a single porphyry-epithermal ore-magmatic system.
Enrichment Characteristics and Mechanisms of Critical Metals in Marine Fe-Mn Crusts and Nodules: A Review
Authors: Huang Sucheng , Fu Yazhou
Published: December 2023

Marine Co-rich ferromanganese crusts and polymetallic nodules, which are widely distributed in oceanic environments, are salient potential mineral resources that are enriched with many critical metals. Many investigations have achieved essential progress and findings regarding critical metal enrichment in Fe-Mn crusts and nodules. This study systematically reviews the research findings of previous investigations and elaborates in detail on the enrichment characteristics, enrichment processes and mechanisms and the influencing factors of the critical metals enriched in Fe-Mn crusts and nodules. The influencing factors of critical metal enrichments in Fe-Mn crusts and nodules mainly include the growth rate, water depth, post-depositional phosphatization and structural uptake of adsorbents. The major enrichment pathways of critical metals in marine Fe-Mn (oxy)hydroxides are primarily as follows: direct substitution on the surface of δ-MnO2 for Ni, Cu, Zn and Li; oxidative substitution on the δ-MnO2 surface for Co, Ce and Tl; partition between Mn and Fe phases through surface complexation according to electro-species attractiveness for REY (except for Ce), Cd, Mo, W and V; combined Mn-Fe phases enrichment for seawater anionic Te, Pt, As and Sb, whose low-valence species are mostly oxidatively enriched on δ-MnO2, in addition to electro-chemical adsorption onto FeOOH, while high-valence species are likely structurally incorporated by amorphous FeOOH; and dominant sorption and incorporation by amorphous FeOOH for Ti and Se. The coordination preferences of critical metals in the layered and tunneled Mn oxides are primarily as follows: metal incorporations in the layer/tunnel-wall for Co, Ni and Cu; triple-corner-sharing configurations above the structural vacancy for Co, Ni, Cu, Zn and Tl; double-corner-sharing configurations for As, Sb, Mo, W, V and Te; edge-sharing configurations at the layer rims for corner-sharing metals when they are less competitive in taking up the corner-sharing position or under less oxidizing conditions when the metals are less feasible for reactions with layer vacancy; and hydrated interlayer or tunnel-center sorption for Ni, Cu, Zn, Cd, Tl and Li. The major ore-forming elements (e.g., Co, Ni, Cu and Zn), rare earth elements and yttrium, platinum-group elements, dispersed elements (e.g., Te, Tl, Se and Cd) and other enriched critical metals (e.g., Li, Ti and Mo) in polymetallic nodules and Co-rich Fe-Mn crusts of different geneses have unique and varied enrichment characteristics, metal occurrence states, enrichment processes and enrichment mechanisms. This review helps to deepen the understanding of the geochemical behaviors of critical metals in oceanic environments, and it also bears significance for understanding the extreme enrichment and mineralization of deep-sea critical metals.
Cadmium Sorption on Alumina Nanoparticles and Mixtures of Alumina and Smectite: An Experimental and Modelling Study
Authors: Mayordomo Natalia , Missana Tiziana , Alonso Ursula
Published: December 2023

Cadmium (Cd) is one of the most toxic transition metals for living organisms. Thus, effective measures to remediate Cd from water and soils need to be developed. Cd immobilization by alumina and mixtures of alumina and smectite have been analyzed experimentally and theoretically by sorption experiments and sorption modelling, respectively. Removal of aqueous Cd was dependent on pH and Cd concentration, being maximal for pH > 7.5. A two-site non-electrostatic sorption model for Cd sorption on alumina was developed and it successfully reproduced the experimental Cd immobilization on alumina. Cd sorption on mixtures of alumina and smectite were depending on pH, ionic strength, and alumina content in the mixture. Cd removal in mixtures increased with alumina content at high pH and ionic strength values. However, Cd sorption decreased with increasing alumina content under acidic conditions and low ionic strength. This effect was the result of alumina dissolution and the release of Al3+ into the suspension at low pH values. Modelling of Cd sorption on mixtures of alumina and smectite was performed by considering the individual Cd sorption models for alumina and smectite. It could be shown that the contributions of the individual sorption models were additive in the model for the mixtures when the competition of Al3+ with Cd2+ for cation exchange sites in smectite was included.
Kinetic and Isotherm Studies for Cu2+ and Cs+ Uptake with Mono- and Bimetallic FeO(OH)-MnOx-Clinoptilolite
Authors: Chmielewská Eva , Bujdoš Marek , Hupian Marek , Galamboš Michal
Published: December 2023

This study investigates the adsorption of selected water pollutants, namely caesium and copper, by using natural zeolite of the clinoptilolite type, as well as clinoptilolites coated with MnOx, FeO(OH)-MnOx and FeO(OH). A comprehensive evaluation of these processes was conducted. The kinetics of Cs and Cu adsorption on all examined samples smoothly followed the pseudo-second-order kinetic model, with the liquid film step regarded as the slower step in both cases. The Langmuir isotherm model provided the most accurate description of Cs and Cu adsorption for all examined samples. However, when considering natural clinoptilolite and FeO(OH)-clinoptilolite systems in relation to Cu(II), the Redlich–Peterson model slightly outperformed the Langmuir model. The modification of clinoptilolite with Mn and Fe oxyhydroxides did not significantly enhance the removal efficiency of Cs compared to the unmodified sample. In contrast, the adsorption capacity, especially for MnOx-clinoptilolite, increased fourfold for Cu and other tested cations such as Pb and Zn, indicating improved efficiency in these cases.
Evolution of Ore-Forming Fluids at Azegour Mo-Cu-W Skarn Deposit, Western High Atlas, Morocco: Evidence from Mineral Chemistry and Fluid Inclusions
Authors: El Khalile Abdessamed , Aissa Mohamed , Touil Ahmed , Hibti Mohamed , Loudaoued Ilyasse , Bilal Essaid
Published: December 2023

The Azegour Mo-Cu-W skarn deposit, located on the northern side of the Western High Atlas, occurs in lower Cambrian volcanic and sedimentary rocks. The mineralizations are linked to the hydrothermal alterations that affected carbonated layers of the lower Cambrian age during the intrusion of the calc-alkaline hyperaluminous Azegour granite. Four stages of the skarn and ore mineral deposition have been identified as follows. Firstly, (i) the early prograde stage and (ii) the late prograde stage. These prograde stages are characterized by anhydrous minerals (wollastonite, garnets, and pyroxenes) associated with scheelite mineralization. Based on mineral chemistry studies, the early prograde stage is dominated by andradite (Ad72.81–97.07) and diopside (Di61.80–50.08) indicating an oxidized skarn; on the other hand, the late prograde stage is characterized by a high portion of grossular (Gr66.88–93.72) and hedenbergite (Hd50.49–86.73) with a small ratio of almandine (Alm2.84–34.99), indicating “strongly reduced” or “moderately reduced” conditions with low f(O2). The next two stages are (iii) the early retrograde stage and (iv) the late retrograde stage, which contain hydrous minerals (vesuvianite, epidote, chlorite, muscovite, and amphibole) associated with sulfide. Fluid inclusions from pyroxene and quartz (prograde skarn stage) display high homogenization temperatures and high to low salinities (468.3 to >600 °C; 2.1 to >73.9 wt% NaCl equiv.). The boiling process formed major scheelite mineralization during prograde skarn development from dominated hydrothermal magmatic fluid solutions. By contrast, fluid inclusions associated with calcite–quartz–sulfide (retrograde skarn stage) record lower homogenization temperatures and low salinities (160 to 358 °C; 2.0 to 11.9 wt% NaCl equiv.). The distribution of the major inclusions types from the two paragenetic stages are along the trend line of fluids mixing in the salinity–homogenization temperature (magmatic water), illustrating the genesis of ore-forming fluid by mixing with fluids of low temperatures and salinities (metamorphic and meteoric waters).
High-Performance Ethylene Glycol Sensor Based on Imine Covalent Organic Frameworks
Authors: Liu Shiwei , Zhang Guojie , Zhang Weiyu , Tian Ning , Sun Qihua , Wu Zhaofeng
Published: December 2023

The colorless and odorless ethylene glycol is prone to unknowingly causing poisoning, making preventive monitoring of ethylene glycol necessary. In this paper, scandium (III) trifluoromethanesulfonate was used as a catalyst to successfully prepare covalent organic framework (COF) nanospheres linked by imines at room temperature. The COF nanospheres were characterized by XRD, SEM, TEM, FT-IR, UV-Vis and BET. The results show that COF nanospheres have rough surfaces and a large number of mesoporous structures, which greatly increase the active sites on the surface of the sensing material and enhance the gas sensing performance. The sensing results showed that the prepared imine-conjugated COF nanospheres exhibited a good response–recovery ability for 10 consecutive response–recovery cycles for ethylene glycol at room temperature and had a theoretical detection limit of 40 ppb. In addition, the responses of COF nanospheres to nearly 20 interfering gases, including HCl, HNO3, phenol, formaldehyde and aniline, are relatively low compared to the response to ethylene glycol, indicating that the COF nanospheres have high selectivity towards ethylene glycol. The COF nanospheres show good sensitivity and selectivity for the detection of ethylene glycol, which should be attributed to the large specific surface area, hydrogen bonding interactions, and high defects. This work provides an effective method for the detection of ethylene glycol and expands the application field of COF materials.
Deformation Mechanism of Aluminum, Copper, and Gold in Nanoimprint Lithography Using Molecular Dynamics Simulation
Authors: Gaikwad Abhaysinh , Olowe Michael , Desai Salil
Published: December 2023

Material deformation during nanoimprinting of aluminum (Al), copper (Cu), and gold (Au) was explored through molecular dynamics simulations. A comparative understanding of the deformation behavior of three substrate materials important for design and high-resolution pattern transfer was highlighted. In this study, we analyzed three metrics, including von Mises stresses, lattice deformation, and spring-back for the chosen materials. Of the three materials, the highest average von Mises stress of 7.80 MPa was recorded for copper, while the lowest value of 4.68 MPa was computed for the gold substrate. Relatively higher von Mises stress was observed for all three materials during the mold penetration stages; however, there was a significant reduction during the mold relaxation and retrieval stages. The Polyhedral Template Matching (PTM) method was adopted for studying the lattice dislocation of the materials. Predominantly Body-Centered Cubic (BCC) structures were observed during the deformation process and the materials regained more than 50% of their original Face-Centered Cubic (FCC) structures after mold retrieval. Gold had the lowest vertical spring-back at 6.54%, whereas aluminum had the highest average spring-back at 24.5%. Of the three materials, aluminum had the lowest imprint quality due to its irregular imprint geometry and low indentation depth after the NIL process. The findings of this research lay a foundation for the design and manufacture of Nanoimprint Lithography (NIL) molds for different applications while ensuring that the replicated structures meet the desired specifications and quality standards.
Hole-Doping-Induced Perpendicular Magnetic Anisotropy and High Curie Temperature in a CrSX (X = Cl, Br, I) Semiconductor Monolayer
Authors: Han Ruilin , Xue Xiaomin , Yan Yu
Published: December 2023

A large perpendicular magnetic anisotropy and a high Curie temperature (TC) are crucial for the application of two-dimensional (2D) intrinsic ferromagnets to spintronic devices. Here, we investigated the electronic and magnetic properties of carrier-doped Van der Waals layered CrSX (X = Cl, Br, I) ferromagnets using first-principles calculations. It was found that hole doping can increase the magnitude of the magnetic anisotropy energy (MAE) and change the orientation of the easy magnetization axis at small doping amounts of 2.37 × 1013, 3.98 × 1012, and 3.33 × 1012/cm2 for CrSCl, CrSBr, and CrSI monolayers, respectively. The maximum values of the MAE reach 57, 133, and 1597 μeV/u.c. for the critical hole-doped CrSCl, CrSBr, and CrSI with spin orientation along the (001) direction, respectively. Furthermore, the Fermi energy level of lightly hole-doped CrSX (X = Cl, Br, I) moves into the spin-up valence band, leading to the CrSX (X = Cl, Br, I) magnetic semiconductor monolayer becoming first a half-metal and then a metal. In addition, the TC can also be increased up to 305, 317, and 345 K for CrSCl, CrSBr, and CrSI monolayers at doping amounts of 5.94 × 1014, 5.78 × 1014, and 5.55 × 1014/cm2, respectively. These properties suggest that the hole-doping process can render 2D CrSX (X = Cl, Br, I) monolayers remarkable materials for application to electrically controlled spintronic devices.
Development of Antibacterial Cotton Textiles by Deposition of Fe2O3 Nanoparticles Using Low-Temperature Plasma Sputtering
Authors: Giedraitienė Agnė , Ružauskas Modestas , Šiugždinienė Rita , Tučkutė Simona , Grigonis Kastytis , Milčius Darius
Published: December 2023

Antibacterial textiles can help prevent infections from antimicrobial-resistant pathogens without using antibiotics. This work aimed to enhance the cotton fabric’s antimicrobial properties by depositing Fe2O3 nanoparticles on both sides of its surface. The nanoparticles were deposited using low-temperature plasma technology in a pure oxygen atmosphere, which is environmentally friendly. The Fe2O3 nanoparticles formed clusters on the fabric surface, rather than thin films that could reduce the airflow of the textile. The optimal conditions for the nanoparticle deposition were 200 W of plasma power, 120 min of immersion time, and 5 cm of Fe cathode–textile sample distance. The received antimicrobial textile was tested and the high efficiency of developed materials were successfully demonstrated against 16 microbial strains (Gram-positive and Gram-negative bacteria and fungi).
Unraveling the Structural and Compositional Peculiarities in CTAB-Templated CeO2-ZrO2-MnOx Catalysts for Soot and CO Oxidation
Authors: Grabchenko Maria V. , Mikheeva Natalia N. , Mamontov Grigory V. , Cortés Corberán Vicente , Litvintseva Kseniya A. , Svetlichnyi Valery A. , Vodyankina Olga V. , Salaev Mikhail A.
Published: December 2023

Structure–performance relationships in functional catalysts allow for controlling their performance in a wide range of reaction conditions. Here, the structural and compositional peculiarities in CTAB-templated CeO2-ZrO2-MnOx catalysts prepared by co-precipitation of precursors and their catalytic behavior in CO oxidation and soot combustion are discussed. A complex of physical–chemical methods (low-temperature N2 sorption, XRD, TPR-H2, Raman, HR TEM, XPS) is used to elucidate the features of the formation of interphase boundaries, joint phases, and defects in multicomponent oxide systems. The addition of Mn and/or Zr dopant to ceria is shown to improve its performance in both reactions. Binary Ce-Mn catalysts demonstrate enhanced performance closely followed by the ternary oxide catalysts, which is due the formation of several types of active sites, namely, highly dispersed MnOx species, oxide–oxide interfaces, and oxygen vacancies that can act individually and/or synergistically.
Luminescence in Anion-Deficient Hafnia Nanotubes
Authors: Shilov Artem O. , Kamalov Robert V. , Karabanalov Maxim S. , Chukin Andrey V. , Vokhmintsev Alexander S. , Mikhalevsky Georgy B. , Zamyatin Dmitry A. , Henaish Ahmed M. A. , Weinstein Ilya A.
Published: December 2023

Hafnia-based nanostructures and other high-k dielectrics are promising wide-gap materials for developing new opto- and nanoelectronic devices. They possess a unique combination of physical and chemical properties, such as insensitivity to electrical and optical degradation, radiation damage stability, a high specific surface area, and an increased concentration of the appropriate active electron-hole centers. The present paper aims to investigate the structural, optical, and luminescent properties of anodized non-stoichiometric HfO2 nanotubes. As-grown amorphous hafnia nanotubes and nanotubes annealed at 700 °C with a monoclinic crystal lattice served as samples. It has been shown that the bandgap Eg for direct allowed transitions amounts to 5.65 ± 0.05 eV for amorphous and 5.51 ± 0.05 eV for monoclinic nanotubes. For the first time, we have studied the features of intrinsic cathodoluminescence and photoluminescence in the obtained nanotubular HfO2 structures with an atomic deficiency in the anion sublattice at temperatures of 10 and 300 K. A broad emission band with a maximum of 2.3–2.4 eV has been revealed. We have also conducted an analysis of the kinetic dependencies of the observed photoluminescence for synthesized HfO2 samples in the millisecond range at room temperature. It showed that there are several types of optically active capture and emission centers based on vacancy states in the O3f and O4f positions with different coordination numbers and a varied number of localized charge carriers (V0, V−, and V2−). The uncovered regularities can be used to optimize the functional characteristics of developed-surface luminescent media based on nanotubular and nanoporous modifications of hafnia.
Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth
Authors: Chaves João , Chiappim William , Karnopp Júlia , Neto Benedito , Leite Douglas , da Silva Sobrinho Argemiro , Pessoa Rodrigo
Published: December 2023

In the presented study, a novel approach for thermal atomic layer deposition (ALD) of Al2O3 thin films using plasma-activated water (PAW) as a co-reactant, replacing traditionally employed deionized (DI) water, is introduced. Utilizing ex situ PAW achieves up to a 16.4% increase in the growth per cycle (GPC) of Al2O3 films, consistent with results from plasma-enhanced atomic layer deposition (PEALD). Time-resolved mass spectrometry (TRMS) revealed disparities in CH4 partial pressures between TMA reactions with DI water and PAW, with PAW demonstrating enhanced reactivity. Reactive oxygen species (ROS), namely H2O2 and O3, are posited to activate Si(100) substrate sites, thereby improving GPC and film quality. Specifically, Al2O3 films grown with PAW pH = 3.1 displayed optimal stoichiometry, reduced carbon content, and an expanded bandgap. This study thus establishes “PAW-ALD” as a descriptor for this ALD variation and highlights the significance of comprehensive assessments of PAW in ALD processes.
Recent Developments in Atomic Layer Deposition of Functional Overlayers in Perovskite Solar Cells
Authors: Park Helen Hejin , Fermin David J.
Published: December 2023

Over the last decade, research in organic–inorganic lead halide perovskite solar cells (PSCs) has gathered unprecedented momentum, putting the technology on the brink of full-scale commercialization. A wide range of strategies have been implemented for enhancing the power conversion efficiency of devices and modules, as well as improving stability toward high levels of irradiation, temperature, and humidity. Another key element in the path to commercialization is the scalability of device manufacturing, which requires large-scale deposition of conformal layers without compromising the delicate structure of the perovskite film. In this context, atomic layer deposition (ALD) tools excel in depositing high-quality conformal films with precise control of film composition and thickness over large areas at relatively low processing temperatures. In this commentary, we will briefly outline recent progress in PSC technology enabled by ALD tools, focusing on layers deposited above the absorber layer. These interlayers include charge transport layers, passivation layers, buffer layers, and encapsulation techniques. Additionally, we will discuss some of the challenges and potential avenues for research in PSC technology underpinned by ALD tools.
Spatial Topological Structure Design of Porous Ti–6Al–4V Alloy with Low Modulus and Magnetic Susceptibility
Authors: Li Qian , Li Qiang , Lu Shasha , Pan Deng
Published: December 2023

Ti–6Al–4V alloy is widely used as a biomaterial for hard tissue replacement, but its Young’s modulus is still higher than that of human bone tissue, which may cause a “stress shielding” effect and lead to implant loosening. In addition, metal implants with low magnetic susceptibility are beneficial for obtaining minimal artifacts in magnetic resonance imaging. To reduce Young’s modulus and magnetic susceptibility of Ti–6Al–4V alloy, a series of irregular prismatic porous structure models were designed based on the Voronoi principle, built by changing the irregularity, prism-diameter-to-initial-seed-spacing ratio, and seed number, and studied using finite-element analysis. Porous samples were prepared by selective laser melting and subjected to a compression test and magnetic susceptibility test. The simulation results show that the prism-diameter-to-initial-seed-spacing ratio has the greatest impact on porosity compared with the irregularity and seed number. The simulation-predicted porosity and compression modulus are highly consistent with the measured ones. The irregular prismatic porous Ti–6Al–4V samples exhibit mechanical properties similar to those of human bones and show a magnetic susceptibility of no more than 50% that of compact Ti–6Al–4V. A regulatable irregular prismatic porous structure is feasible for designing porous implants with desirable properties for biomedical applications.
Cd2+ Sorption Alterations in Ultisol Soils Triggered by Different Engineered Nanoparticles and Incubation Times
Authors: Manquián-Cerda Karen , Calderón Raúl , Molina-Roco Mauricio , Maldonado Tamara , Arancibia-Miranda Nicolás
Published: December 2023

The progressive influx of engineered nanoparticles (ENPs) into the soil matrix catalyses a fundamental transformation in the equilibrium dynamics between the soil and the edaphic solution. This all-encompassing investigation is geared towards unravelling the implications of an array of ENP types, diverse dosages and varying incubation durations on the kinetics governing Cd2+ sorption within Ultisol soils. These soils have been subjected to detailed characterizations probing their textural and physicochemical attributes in conjunction with an exhaustive exploration of ENP composition, structure and morphology. To decipher the intricate nuances of kinetics, discrete segments of Ultisol soils were subjected to isolated systems involving ENP dosages of 20 and 500 mg ENPs·kg−1 (AgNPs, CuNPs and FeNPs) across intervals of 1, 3 and 6 months. The comprehensive kinetic parameters were unveiled by applying the pseudo-first-order and pseudo-second-order models. At the same time, the underlying sorption mechanisms were studied via the intra-particle diffusion model. This study underscores the substantial impact of this substrate on the kinetic behaviours of contaminants such as Cd, emphasizing the need for its consideration in soil-linked economic activities and regulatory frameworks to optimize resource management.
Clinical Implications of Dietary Probiotic Supplement (Associated with L-Glutamine and Biotin) in Ulcerative Colitis Patients’ Body Composition and Quality of Life
Authors: Pavel Flavia Maria , Bungau Simona Gabriela , Tit Delia Mirela , Ghitea Timea Claudia , Marin Ruxandra Cristina , Radu Andrei-Flavius , Moleriu Radu Dumitru , Ilias Tiberia , Bustea Cristian , Vesa Cosmin Mihai
Published: December 2023

Patients with ulcerative colitis (UC) are reported to have changes in body structure, with negative impact on the course of disease. This study explored the effects of a standardized nutritional supplement containing five bacterial strains of at least five billion bacteria (Bifidobacterium infantis, Bifidobacterium animalis, Lactobacillus bulgaricus, Lactobacillus helveticus, and Enterococcus faecium), L-glutamine, and biotin on the body composition and quality of life of patients with UC. Ninety-three patients over 18 years of age with a confirmed diagnosis of UC, for whom body composition could be accurately determined, were included in this observational follow-up randomized study. These patients were split into two groups: UC-P (44 patients with dietary counselling and supplement with probiotics) and UC-NP (49 patients with dietary counselling, without supplement). Body composition was assessed using the multifrequency bioelectrical impedance device, and the quality of life related to UC was evaluated by applying the short inflammatory bowel disease questionnaire (SIBDQ). The results showed that the average value of muscular mass (MM) and sarcopenic index (SMI) significantly increased (p = 0.043, respectively, p = 0.001) and a large fraction (p = 0.001) of patients had their SMI levels normalized in the UC-P group compared with UC-NP group. The extracellular water to total body water ratio (ECW/TBW) also had significantly different mean values (p = 0.022), favoring the UC-P group. By testing the differences between the average values of body composition parameters before and after treatment, we obtained significant results in body mass index (BMI) (p = 0.046), fat free mass (FFM) (p < 0.001), and ECW/TBW ratio (p = 0.048). The SIBDQ total score increased significantly (p < 0.001) in the UC-P group and was more strongly associated with changes in body parameters. Supplementation with probiotics associated with L-glutamine and biotin can improve body composition parameters, which in turn implies an increase in the overall quality of life of patients with UC.
Carbon Dioxide (CO2) Dietary Emissions Are Related to Oxidative and Inflammatory Status in Adult Population
Authors: Monserrat-Mesquida Margalida , Bouzas Cristina , García Silvia , Quetglas-Llabrés Maria Magdalena , Mateos David , Ugarriza Lucía , Gómez Cristina , Sureda Antoni , Tur Josep A.
Published: December 2023

Background: Carbon dioxide (CO2) is a primary greenhouse gas (GHG) causing global temperature to rise. Unsustainable diets induce an increment in the risk of obesity and noncommunicable diseases but also contribute to the global GSG burden. Objective: To assess whether CO2 dietary emissions influence the inflammatory and oxidative status of subjects with metabolic syndrome (MetS). Methods: As part of the PREDIMED-Plus study, 100 adults (55–75 years old) from the Balearic Islands, Spain, were recruited and classified according to their dietary CO2 emissions. Anthropometric parameters were determined, fasting blood samples were collected and plasma, neutrophils, and peripheral blood mononuclear cells (PBMCs) were obtained. Dietary inflammatory index (DII), adherence to a Mediterranean diet (ADM), fatty liver index (FLI), and estimated glomerular filtration (eGFR) were calculated. Clinical biochemical parameters, blood count, and oxidative stress and inflammatory biomarker levels were also determined. Results: DII was higher in participants with high dietary CO2 emissions. Adherence to the MedDiet was inversely associated with CO2 emissions. Malondialdehyde (MDA) levels were higher in urine and plasma samples from subjects with high dietary CO2 emissions. Reactive oxygen species (ROS) production by PBMCs was greater in participants with high CO2 emissions. Interleukin-15, resistin, and leptin plasma levels were increased in participants with high dietary CO2 emissions. Conclusion: Dietary CO2 emissions influence oxidative status and inflammation in relation to the increased prooxidative and proinflammatory status in PBMCs and plasma. These biomarkers were useful for monitoring diet sustainability and health.
Molecular Mechanisms of Curcumin in the Pathogenesis of Metabolic Dysfunction Associated Steatotic Liver Disease
Authors: Guariglia Marta , Saba Francesca , Rosso Chiara , Bugianesi Elisabetta
Published: December 2023

Metabolic dysfunction-associated steatotic liver disease (MASLD) is a multifactorial condition characterized by insulin resistance, oxidative stress, chronic low-grade inflammation, and sometimes fibrosis. To date, no effective pharmacological therapy has been approved for the treatment of metabolic-associated steatohepatitis (MASH), the progressive form of MASLD. Recently, numerous in vitro and in vivo studies have described the efficacy of nutraceutical compounds in the diet has been tested. Among them, curcumin is the most widely used polyphenol in the diet showing potent anti-inflammatory and antifibrotic activities. This review aims to summarize the most important basic studies (in vitro and animal models studies), describing the molecular mechanisms by which curcumin acts in the context of MASLD, providing the rationale for its effective translational use in humans.
Oat Peptides Alleviate Dextran Sulfate Sodium Salt-Induced Colitis by Maintaining the Intestinal Barrier and Modulating the Keap1-Nrf2 Axis
Authors: Ji Zhong-Hao , Xie Wen-Yin , Zhao Pei-Sen , Wu Hong-Yu , Ren Wen-Zhi , Hu Jin-Ping , Gao Wei , Yuan Bao
Published: December 2023

The prevalence of inflammatory bowel disease (IBD) is progressively rising each year, emphasizing the significance of implementing rational dietary interventions for disease prevention. Oats, being a staple agricultural product, are abundant in protein content. This study aimed to investigate the protective effects and underlying mechanisms of oat peptides (OPs) in a mouse model of acute colitis induced by dextran sulfate sodium salt (DSS) and a Caco-2 cell model. The findings demonstrated that intervention with OPs effectively mitigated the symptoms associated with DSS-induced colitis. The physicochemical characterization analysis demonstrated that the molecular weight of the OPs was predominantly below 5 kDa, with a predominant composition of 266 peptides. This study provides further evidence of the regulatory impact of OPs on the Keap1-Nrf2 signaling axis and elucidates the potential role of WGVGVRAERDA as the primary bioactive peptide responsible for the functional effects of OPs. Ultimately, the results of this investigation demonstrate that OPs effectively mitigate DSS-induced colitis by preserving the integrity of the intestinal barrier and modulating the Keap1-Nrf2 axis. Consequently, these findings establish a theoretical foundation for the utilization of OPs as dietary supplements to prevent the onset of IBD.