Structural Properties Research Articles

Seismic Fragility and Reliability of Base-Isolated Structures with Regard to Superstructure Ductility and Isolator Displacement Considering Degrading Behavior

ABSTRACT The present study investigates the effects of the degradation of mechanical properties (pinching, stiffness degradation, and strength degradation) in load-deformation relationship of the superstructures equipped with friction pendulum systems on the seismic fragility and reliability results. An equivalent two-degree-of-freedom model is employed, in which the Bouc-Wen hysteretic model characterizes the inelastic behavior of both the superstructure and the isolator. To examine a wide variety of system combinations with different structural properties and degradation severity, a comprehensive parametric study is performed. Incremental dynamic analyses are carried out to develop fragility functions. Subsequently, the seismic reliability of both the superstructure and the isolation level is assessed. Results indicate that the negative effects of degrading behavior are more prominent in stiff superstructures as it significantly decreases structural capacity and reliability indices. It is demonstrated that the system is primarily influenced by pinching behavior rather than degradation in strength and stiffness, especially at low intensity levels that correspond to lower limit-states. In the majority of investigated systems, the seismic demand in the isolator decreases when superstructures undergo degrading behavior. Overall, such effects should be considered in the reliability-based design procedure to attain design consistency in terms of reliability. The results of this paper that account for the degrading effects enable reliable estimations of key parameters essential for the design of the superstructure and the isolator.

Effect of Cyperus esculentus polysaccharide on Cyperus esculentus starch: Pasting, rheology and in vitro digestibility

This study investigated the effects of varying amounts of added Cyperus esculentus polysaccharide (CEP) on the physicochemical and structural properties, as well as in vitro digestibility, of homologous Cyperus esculentus starch (CES). Compared to CES, the CES-CEP complexes showed reduced peak viscosity and breakdown value, and improved thermal paste stability of starch. Rheological properties showed that adding CEP reduced the consistency coefficient and pseudoelasticity of the complexes, thus increasing their resistance to shear thinning. FTIR analysis suggested the absence of covalent binding between CES and CEP. SEM showed a more homogeneous and dense gel structure, particularly in the CES-1.0%CEP sample. During in vitro digestion, the content of resistant starch in the complexes increased after CEP was added. Analysis of the interaction forces showed that the CES-CEP complexes had stronger hydrogen bonding and electrostatic interaction. This study offers valuable insights into the potential applications of CEP in starch-based foods.

Structural properties and vibrational modes of different polytypes of gallium selenide crystals (ε, β, γ, δ): insights from a DFT study

Structural properties and vibrational modes of different polytypes of gallium selenide crystals (ε, β, γ, δ): insights from a DFT study

Electromechanical strain response of phosphorene nanotubes

Nanomaterials that undergo structural or other property changes upon application of external stimuli are called stimuli responsive materials and are particularly suited for drug delivery, biosensing or artificial muscle applications. Two-dimensional (2D) black phosphorus is an ideal material for such applications due to its remarkable electromechanical response. Given that one-dimensional (1D) black phosphorus nanotubes (PNTs) are calculated to be energetically stable, it is possible that they can undergo similar electromechanical responses to their 2D counterparts, allowing their potential application as nanochannel devices for drug delivery. Using first-principles density functional theory, we investigated the electromechanical response of different-sized PNTs upon charge injection. Upon hole injection, the diameter of the PNTs expands up to a maximum of 30.2% for a (0,15) PNT that is 0.24 nm in diameter. The PNTs become highly p-doped as the valence band maximum crosses the Fermi level and undergoes switching from a direct to indirect band gap. The mechanism behind the electromechanical response was determined through analysis of the structural deformations, charge density distribution and Bader partial charges. It was shown that injection of charge alters the Young’s Modulus of the PNTs, as hole injection weakens the structural integrity of the nanotube, allowing a greater electromechanical response, with PNT-15 showing the largest decrease in the Young’s Modulus of 15.34%. These findings show that 1D PNTs are promising materials for the development of nanoelectromechanical actuators which could be used for drug delivery, energy harvesting or similar applications.

Effect of growth temperature on properties of β-Ga2O3 films grown on AlN by low-pressure chemical vapor deposition

In this work, thin films of β-Ga2O3 were prepared on AlN substrates using low-pressure chemical vapor deposition (LPCVD). The effects of growth temperature on the crystal structure, surface morphology, chemical composition, and photoluminescence properties of the synthesized β-Ga2O3 thin films were then systematically investigated. The results indicated that various films grown at different temperatures in the range of 550–850 °C had a preferred growth orientation in the planar direction (−201). The surface roughness was seen to reduce gradually as the growth temperature was raised. However, excessive temperature (850 °C) led to a reduction in the densification of the prepared films. The surface chemistry of the films was analyzed using X-ray photoelectron spectroscopy (XPS) and the O/Ga ratio of the optimal film was calculated to be 1.49, which is quite close to the optimal stoichiometric ratio of 1.5. Multiple luminescence bands were obtained in the photoluminescence spectra of the films taken at room temperature, where the blue emission formed the dominant bands. The results of the study suggest that the growth temperature has a significant impact on the film properties and that appropriately increasing the growth temperature leads to substantial improvement in the overall quality of the β-Ga2O3 thin films.

High External Quantum Efficiency and Dual-Band Emission of (C7H18N)3Sb2Cl9 for Sensitivity Temperature Sensing.

Organic-inorganic hybrid halides have gained attention for their ease of processing and remarkable optoelectronic properties. However, the relationship between the structure and optical properties requires further exploration. In this study, the butyltrimethylammonium cation (C7H18N+) was chosen, and seven compounds were synthesized: (C7H18N)3Sb2X9 (X = Cl, Br), (C7H18N)3Bi2X9 (X = Cl, Br, I), and (C7H18N)(C2H8N)MBr5 (M = Sb, Bi). Crystals with a single organic cation exhibit a zero-dimensional structure, while the introduction of dimethylamine ions increases the crystal dimensionality from zero-dimensional (C7H18N)3Sb2Br9 to one-dimensional (C7H18N)(C2H8N)SbBr5. Under 372 nm excitation, (C7H18N)3Sb2Cl9 showed broad orange-red single-band emission with a high photoluminescence quantum yield of 88.4% and an external quantum efficiency of up to 56.9%. A white light-emitting diode based on (C7H18N)3Sb2Cl9 achieved a high color rendering index of 96.3. Moreover, dual-band emission was observed in (C7H18N)3Sb2Cl9 under 308 nm excitation, which exhibits an absolute temperature sensitivity of 1.96 × 10-3 K-1 (320 K), and a flexible film was prepared by incorporating polydimethylsiloxane. This shows the promise of hybrid metal halides as photoluminescent materials and their possibilities for temperature sensing.

MAA Encapsulated MoS2 Quantum Dots as a Fluorescent Probe for the Sensing of Flavonoid

Transition metal dichalcogenide (TMDs) quantum dots (QDs) have attracted widespread attention among scientific community as fluorescent nanomaterial. Among TMDs, MoS2 has received particular interest due to its novel and intriguing optical properties. In this work hydrothermal method is used to prepare aqueous soluble MoS2 QDs using Molybdenyl acetylacetonate and thiourea as Mo and S precursors, respectively. The solubility of unfunctionalized MoS2 is poor in water and organic solvent, therefore thioglycolic acid is used as surfactant for surface functionalization and to enhance the aqueous solubility & stability. These functionalized QDs have been synthesized at pH 11 using hydrothermal method and explored their structural and optical properties. The as synthesized QDs are characterized using TEM, XRD, FTIR, UV-Vis and PL spectroscopy. The morphological shape of as prepared QDs is spherical with size 4-6.5 nm. The MAA encapsulated MoS2 QDs are further explored as fluorescent probe for the sensitive sensing of flavonoid Quercetin.

Correction: Structural, magnetic, and photocatalytic properties of core–shell reversal nanocomposites of titanium-doped strontium ferrite and silica

Correction: Structural, magnetic, and photocatalytic properties of core–shell reversal nanocomposites of titanium-doped strontium ferrite and silica

Investigating the structure and properties of polyurethane hydrogels with varying soft and hard segments

AbstractIn this study, polyurethane (PU) hydrogels were synthesized via mercapto curing reaction to elucidate the effect of molecular interactions between isocyanate and soft segments on the properties of hydrogels. Further, the mesh size, mechanical properties, hydrophilicity, and biological properties of the PU hydrogels were determined. In the isocyanate series, the structural regularity and rigidity of 4,4′‐dicyclohexylmethane diisocyanate (HMDI) favored the formation of hydrogel materials with small mesh size, high modulus, and low water absorption. In contrast, l‐lysine diisocyanate (LDI) favored the materials with large mesh size, low modulus, and good hydrophilicity. In the soft‐segment series, the strong hydrogen bonds of polycarbonate diol (PCDL) favored the formation of materials with small mesh size, dense cross‐link points, and high modulus, whereas weak hydrogen bonds of polytetrahydrofuran ether glycol (PTMG) favored the hydrogel materials with small mesh size, few crosslink points, and low modulus. PU hydrogels exhibit excellent cytocompatibility, anti‐cell adhesion, and anti‐inflammatory properties. Therefore, this study offers valuable insights into understanding the chain structure and macroscopic properties, thus contributing to preparing PU hydrogels with varying performances, as desired.

The mechanistic role of connexin 43 in maturation of hiPSC cardiomyocytes

Abstract Funding Acknowledgements Type of funding sources: Public grant(s) – EU funding. Main funding source(s): ECR (European research council) and ReNew (the Novo Nordisk Foundation Center for Stem Cell Medicine supported by Novo Nordisk Foundation grants) Introduction Cardiomyocytes (CMs) differentiated from human induced pluripotent stem cells (hiPSCs) are functionally immature and this limits the application of these cells to cardiovascular research. Maturation can be improved by aggregating hiPSC-CMs into three-dimensional (3D) microtissues together with hiPSC-cardiac fibroblasts (hiPSC-CFs) and hiPSC-endothelial cells (hiPSC-ECs). These cardiac microtissues showed improved structural (increase of sarcomere length and organisation) and functional (more mature action potential profile) properties. This effect was only observed when the cardiac microtissues contained hiPSC-CFs. Since connexin 43 (CX43), the most ubiquitous connexin isoform in the heart, was significantly upregulated in hiPSC-CMs from cardiac microtissues, we hypothesise that mechanisms underlying hiPSC-CMs maturation involves the coupling of hiPSC-CMs with hiPSC-CFs through this protein. Purpose The aim of this study is to unravel the role of CX43 in the maturation of hiPSC-CMs in the context of 3D multicellular cardiac tissues. Methods We used the CRISPR/Cas9 technology to generate a CX43 knock-out (KO) hiPSC line. We designed two sgRNAs annealing to exon 2 of GJA1 gene, encoding CX43; indels generated by the non-homologous end joining after the Cas9 double strand break will result in a non-functional protein. Cells were differentiated in vitro into CMs, epicardial cells (EPI) and then CFs and characterized for the expression of cell-specific markers and compared with the wild-type parental control cells. Results and conclusions We screened 31 hiPSC clones and selected those in which both GJA1 alleles contained a deletion. Copy number variation analysis by ddPCR of the flanking regions confirmed that the deletion was specific and confined. The lack of GJA1 expression in the KO clones was confirmed by qPCR, while the lack of the CX43 protein was confirmed by immunofluorescence and Western Blot. This did not affect CX43-KO hiPSCs pluripotency state shown by the presence of pluripotent markers such as NANOG, OCT3/4, SSEA4. Additionally, CX43-KO hiPSCs were able to differentiate into the three germ layers. CX43-KO hiPSCs were successfully differentiated into hiPSC-CMs, -EPI, and -CFs. CX43-KO hiPSC-CMs and controls showed comparable gene expression of cardiac troponin T. Since immunofluorescent staining showed that CX43-KO hiPSC-EPI expressed the epicardial markers WT1 and ZO1, we continued to differentiate them into hiPSC-CFs, which expressed markers such as VIM and COL1A1, similar to the control. Differentiated CX43-KO hiPSC-CMs and CFs will be assembled into cardiac microtissues. Functional and structural assays that include patch-clamp and immunofluorescence will be performed on these microtissue to assess the effect of the CX43 KO on the maturation of hiPSC-CMs. Our results show that the lack of CX43 expression does not impede hiPSCs to differentiate into various cell types originating from the mesoderm germ layer.

Synthesis of Dy-doped calcium hexaferrite (CaDyxF12-xO19) nanoparticles and their ferroelectric, dielectric, magnetic and photocatalytic properties under solar light irradiation

Calcium hexaferrite (CaDyxFe12-xO19) was synthesized using the microemulsion method, incorporating Dy as a dopant at varying levels (x = 0.00, 0.1, 0.15, 0.20, 0.25, and 0.30). The effects of Dy-doping on the structural, magnetic, ferroelectric, dielectric and photocatalytic properties of CFO (CaDyxFe12-xO19) was evaluated. X-ray diffractometer, scanning electron microscopy, Fourier transform infrared spectroscopy, and UV–vis spectroscopy were employed for the characterization of the prepared samples. A single-phase hexagonal structure with space group P63/mmc was verified by the XRD analysis and the crystallite size was in the 31.74 nm to 38.77 nm range. The ferroelectric properties were examined using a hysteresis loop (P-E), revealing that higher dopant concentrations led to decreased saturation polarization (Ps) and retentivity (Pr). Electrical studies, including I-V measurements, aligned with semiconductor behavior, as evidenced by Curie temperature and activation energy values. Magnetic assessments demonstrated increased saturation magnetization (0.028–0.049 emu/g) and remanence (0.0046–0.0144 emu/g) upon Dy-doping. Photocatalytic experiments exhibited promising crystal violet dye degradation under visible light irradiation, with highly doped catalyst showing 85 % degradation within 100 minutes, surpassing the 42 % degradation with pristine CaFe12O19. The synthesized nanoparticles demonstrated promising stability and reusability in recycling experiments. Investigation of scavenger effects highlighted the crucial role of reactive •OH in dye degradation, surpassing the contributions of e- or h+ species. The CaDyxFe12-xO19 holds significant potential for efficient photocatalytic application in the removal of dyes from effluents under visible light irradiation.

Structural, Functional and Molecular Dynamics Examination of a de novo cloned Otopetrin-like Proton Channel in crayfish.

Proton channels play a crucial role in many biological functions, as they are responsible for the selective transport of protons across cell membranes. Recently, Otopetrins, a family of eukaryotic proton-selective ion channels, have attracted significant attention due to their diverse physiological roles. Despite the importance of Otopetrins, their structural and functional properties remain relatively unexplored. As a model organism, crayfish have been extensively studied to gain insights into the functioning of the nervous system. These studies cover a wide range of aspects, including the properties of individual neurons and behavioral science. However, studying the physiological systems of crayfish poses challenges for molecular research due to limited molecular sequence information available for these organisms. In the present work was identified an originally cloned mRNA, coding an Otopetrin like proton channel in the crayfish. The coded protein was modeled in silico and possible conduction mechanisms and pathways were revealed. A plasmid of the cloned mRNA was heterologously expressed in HEK293T cells. Functional experiments on transfected cells indicated that the expressed mRNA was coupled to proton conduction across the cell membrane.

Mg doped zinc manganese spinel ferrite: Fabrication and investigation of the structural and photocatalytic properties

To deal with environmental issues and wastewater treatments, the development and synthesis of highly effective semiconducting photocatalysts is a promising route. Sol-gel route was used for the preparation of zinc manganese ferrite (Zn0.6Mn0.4Fe2O4) and magnesium doped zinc manganese ferrite ((Zn0.6Mn0.4Mg0.06Fe2O4). However, the ultrasonication method was utilized for the fabrication of magnesium doped zinc manganese ferrite@CNTs nanocomposite (Zn0.6Mn0.4Mg0.06Fe2O4@CNTs). Characterization of materials was done via different techniques such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Electrochemical impedance spectroscopy (EIS), UV–vis spectroscopy, and Mott-Schottky analysis. The crystallite size was calculated using the Debye-Scherrer formula. With the addition of magnesium in the zinc manganese ferrite, the band gap declines from 2.51 eV to 2.21 eV. The photocatalysis was carried out against the methyl orange (MO) and colorless effluent benzoic acid. By Zn0.6Mn0.4Mg0.06Fe2O4@CNTs, the % removal of MO was 92.22 % whereas for BO it was 34 %. Charge transfer resistance and flat band potential values for the nanocomposite were 1.12 Ω and 0.33 V respectively. The incorporation of CNTs into Zn0.6Mn0.4Mg0.06Fe2O4 accelerated the efficiency of photocatalysts, enhanced the migration of electrons, and suppressed the electron-hole pair recombination. Due to more surface area, the Zn0.6Mn0.4Mg0.06Fe2O4@CNTs showed the utmost results and acted as a highly proficient photocatalyst for the removal of organic effluents.

Facile Preparation Method of TiO2/Activated Carbon for Photocatalytic Degradation of Methylene Blue.

The development of nanocomposite photocatalysts with high photocatalytic activity, cost-effectiveness, a simple preparation process, and scalability for practical applications is of great interest. In this study, nanocomposites of TiO2 Degussa P25 nanoparticles/activated carbon (TiO2/AC) were prepared at various mass ratios of (4:1), (3:2), (2:3), and (1:4) by a facile process involving manual mechanical pounding, ultrasonic-assisted mixing in an ethanol solution, paper filtration, and mild thermal annealing. The characterization methods included XRD, SEM-EDS, Raman, FTIR, XPS, and UV-Vis spectroscopies. The effects of TiO2/AC mass ratios on the structural, morphological, and photocatalytic properties were systematically studied in comparison with bare TiO2 and bare AC. TiO2 nanoparticles exhibited dominant anatase and minor rutile phases and a crystallite size of approximately 21 nm, while AC had XRD peaks of graphite and carbon and a crystallite size of 49 nm. The composites exhibited tight decoration of TiO2 nanoparticles on micron-/submicron AC particles, and uniform TiO2/AC composites were obtained, as evidenced by the uniform distribution of Ti, O, and C in an EDS mapping. Moreover, Raman spectra show the typical vibration modes of anatase TiO2 (e.g., E1g(1), B1g(1), Eg(3)) and carbon materials with D and G bands. The TiO2/AC with (4:1), (3:2), and (2:3) possessed higher reaction rate constants (k) in photocatalytic degradation of methylene blue (MB) than that of either TiO2 or AC. Among the investigated materials, TiO2/AC = 4:1 achieved the highest photocatalytic activity with a high k of 55.2 × 10-3 min-1 and an MB removal efficiency of 96.6% after 30 min of treatment under UV-Vis irradiation (120 mW/cm2). The enhanced photocatalytic activity for TiO2/AC is due to the synergistic effect of the high adsorption capability of AC and the high photocatalytic activity of TiO2. Furthermore, TiO2/AC promotes the separation of photoexcited electron/hole (e-/h+) pairs to reduce their recombination rate and thus enhance photocatalytic activity. The optimal TiO2/AC composite with a mass ratio of 4/1 is suggested for treating industrial or household wastewater with organic pollutants.

Iron-Added Aluminum Matrix Composites Prepared by Friction Stir Processing: Structure, Mechanical and Tribological Properties

Iron-Added Aluminum Matrix Composites Prepared by Friction Stir Processing: Structure, Mechanical and Tribological Properties

Multifaceted analysis of NdCo4X12: unveiling certain structural, electronic, magnetic, transport-mechanical, and thermodynamic properties with the emphasis on curie temperature

Multifaceted analysis of NdCo4X12: unveiling certain structural, electronic, magnetic, transport-mechanical, and thermodynamic properties with the emphasis on curie temperature

Impact of post-annealing temperature on the structure, surface topography and magnetic properties of sputtered GdMnO3 thin films

Impact of post-annealing temperature on the structure, surface topography and magnetic properties of sputtered GdMnO3 thin films

Octenyl succinylation of myofibrillar protein: Structural, physicochemical and emulsifying properties

In this study, different succinylation degree octenyl succinic anhydride modified myofibrillar protein (OSA-modified MP) were prepared through succinylation modification by adding various OSA (1%, 3%, 6%, 11%, 16%, 21% and 26% of the weight of MP) to MP. The structure, physicochemical properties and emulsifying properties of OSA-modified MP were investigated. Results showed that succinylation degree of the modified protein rose from 1.46% to 94.99%. Electrophoresis, fourier transform infrared spectroscopy, intrinsic tryptophan fluorescence emission spectroscopy and scanning electron microscopy demonstrated the structure of MP was changed. As the DS increased, the particle size decreased by the maximum values of 0.24 times, the surface net charge and solubility increased by the minimum values of 2.71 and 13.50 time, respectively. All these results caused emulsifying activity and emulsifying stability to increase by 2.32 and 1.46 times, respectively, indicated that succinylation greatly improved the emulsifying properties of MP. Compared to the native MP, OSA-modified MP was more beneficial to stabilize Pickering emulsion. Thus, succinylation improved the emulsifying properties of MP and effectively expanded the application range of MP in the food industry.

Machine Learning Prediction Models for Solid Electrolytes Based on Lattice Dynamics Properties.

Recently, machine-learning approaches have accelerated computational materials design and the search for advanced solid electrolytes. However, the predictors are currently limited to static structural parameters, which may not fully account for the dynamic nature of ionic transport. In this study, we meticulously curated features considering dynamic properties and developed machine-learning models to predict the ionic conductivity, σ, of solid electrolytes. We compiled 14 phonon-related descriptors from first-principles phonon calculations along with 16 descriptors related to the structure and electronic properties. Our logistic regression classifiers exhibit an accuracy of 93%, while the random forest regression model yields a root-mean-square error for log(σ) of 1.179 S/cm and R2 of 0.710. Notably, phonon-related features are essential for estimating the ionic conductivities in both models. Furthermore, we applied our prediction model to screen 264 Li-containing materials and identified 11 promising candidates as potential superionic conductors.

Substrate Temperature Effect on the Structural, Optical and Morphological Proprties of Cobalt Sulfide Thin Films Deposited Using Spray Pyrolisis

Abstract Thin films of cobalt sulfide were grown on glass substrates at four different temperatures (250 °C, 300 °C, 350 °C and 400 °C) using spray-pyrolysis technique. The precursor solutions were prepared using cobalt chloride and thiourea. The effect of deposition temperature on the structural, morphological, and optical properties of cobalt sulfide thin films was investigated using different experimental techniques such as X-ray diffraction (XRD), and UV-visible spectrophotometry, Fourier Transform Infrared Spectroscopy (FT-IR) and four-probe method. The XRD analysis showed that crystallite size varies from 9.76 to 14.11 nm with increasing the deposition temperature. UV-visible data analysis shows a decrease in the band gap energies with increasing temperature (1.82 eV for 250 °C, 1.76 eV for 300 °C, 1.72 eV for 350 °C, and 1.65 eV for 400 °C). The analysis of the chemical composition by FTIR confirmed the presence of Co, S elements. On the other hand, the electrical conductivity of the cobalt sulfide thin films increased owing to the increase in the crystallite size and reduction of defects density.