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The production of the extracellular polysaccharide from the thermophilic bacterium Aeribacillus pallidus was carried out in the study. The polysaccharide was isolated and characterized by means of GC-MS, FT-IR, DSC, and XRD analyses. The rheological, foaming, and emulsifying properties of the polysaccharide were determined. Using a sucrose-rich medium, 27.1 mg dried EPS/100 mL was obtained with 94% carbohydrate and 1.5% protein. The monosaccharide profile of water-soluble EPS-IM17 was composed of rhamnose, arabinose, xylose, mannose, glucose, and galactose. The foaming capacity and stability of EPS-IM17 were 26.67% (± 4.71) and 40.01% (± 4.95), respectively, and the foaming stability was not affected by time. The emulsification index of EPS-IM17 was 64.54 (± 8.71) and decreased to 38.47 (± 10.44) after 24 h. EPS-IM17 had a crystalline structure. Solutions at different concentrations (10, 20, 40 mgmL-1) showed pseudoplastic behavior. In conclusion, this report could be a lead study for the use of Aeribacillus pallidus extracellular polysaccharide for different applications.

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This study investigates the antibacterial activity and spectral characteristics of Cu-doped ZnO nanoparticles synthesized via the gelatin-based sol-gel method, focusing on their potential biomedical applications. Zn1₋ₓCuₓO nanoparticles (x = 0.0, 0.01, 0.03, and 0.05) were fabricated using this method. The incorporation of copper dopants into the ZnO matrix significantly influences both the crystalline structure and spectral properties of the nanoparticles. X-ray diffraction analysis confirms the presence of a wurtzite structure without any pyrochlore phase. The broadening of spectral features indicates modifications in lattice parameters and elastic constants. XRD results reveal that adding Cu to the ZnO lattice causes a decrease in crystallite size from 32 to 18 nm. Transmission electron microscopy shows spherical-shaped ZnO nanoparticles with sizes ranging from 30 to 40 nm. Moreover, Cu-doped ZnO nanoparticles exhibit considerable inhibition against bacterial growth. Adding Cu enhances the antibacterial activity of ZnO nanoparticles, suggesting their potential in biomedical applications. Overall, these findings highlight the promising prospects of sol-gel synthesized Cu-doped ZnO nanoparticles in the biomedical field.

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Sulfated fucan has attracted increasing research interest due to its various biological activities. Endo-1,3-fucanases are favorable tools for structure investigation and structure-activity relationships establishment of sulfated fucan. However, the three-dimensional structure of enzymes from the GH174 family has not been disclosed, which hinders the understanding of the action mechanism. This study reports the first crystal structure of endo-1,3-fucanase from GH174 family (Fun174A) at a resolution of 1.60 Å. Notably, Fun174A exhibited an unusual distorted ß-sandwich fold, which is distinct from other known glycoside hydrolase folds. The conserved amino acid residues D119 and H154 were proposed as the catalytic residues in the family. Molecular docking suggested that Fun174A primarily recognized sulfated fucan through a series of polar amino acid residues around the substrate binding pocket. Furthermore, structural bioinformatics analysis suggested that the structural analogs of Fun174A may be extensively implicated in the bacterial metabolism of polysaccharides, which provided opportunities for the discovery of novel glycoside hydrolase. This study offers new insights into the structural diversity of glycoside hydrolases and will contribute to the establishment of a novel clan of glycoside hydrolases.

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In this article, we report sterically-controlled iron sites based on non-chelating bulky imidazole ligands. Adding 6 equiv. of 1,2-dimethylimidazole (1,2-Me2Im) to Fe(OTf)2⋅2CH3CN affords the first example of a 5-coordinate imidazole­iron complex ([Fe(1,2-Me2Im)5](OTf)2, 1). The structure is distorted square pyramidal (τ5 = 0.41). When an iPr group is substituted for the methyl group at the 2-position on the imidazole (2-iPr-1-MeIm), the 14-electron complex ([Fe(2-iPr-1-MeIm)4](OTf)2, 2) is obtained. This complex exhibits slightly distorted tetrahedral geometry (τ'4 = 0.93) with four N-donors and serves as a 4-His iron structural model complex for carotenoid cleavage dioxygenases (CCD). The electronic structure of 1 and 2 were characterized by Mössbauer spectroscopy. Reactions of 1 and 2 with model olefin substrates (1-R-4-(1-methoxyprop-1-en-2-yl)benzene; R = Me or Br) in the presence of oxygen result in olefin cleavage yielding ketone and aldehyde products, although 2 yields more products than 1. Support for a proposed reaction mechanism for 2 is offered from Density Functional Theory (DFT) calculations.

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Over the last three decades, the technology that makes it possible to follow chemical processes in the solid state in real time has grown enormously. These studies have important implications for the design of new functional materials for applications in optoelectronics and sensors. Light-matter interactions are of particular importance, and photocrystallography has proved to be an important tool for studying these interactions. In this technique, the three-dimensional structures of light-activated molecules, in their excited states, are determined using single-crystal X-ray crystallography. With advances in the design of high-power lasers, pulsed LEDs and time-gated X-ray detectors, the increased availability of synchrotron facilities, and most recently, the development of XFELs, it is now possible to determine the structures of molecules with lifetimes ranging from minutes down to picoseconds, within a single crystal, using the photocrystallographic technique. This review discusses the procedures for conducting successful photocrystallographic studies and outlines the different methodologies that have been developed to study structures with specific lifetime ranges. The complexity of the methods required increases considerably as the lifetime of the excited state shortens. The discussion is supported by examples of successful photocrystallographic studies across a range of timescales and emphasises the importance of the use of complementary analytical techniques in order to understand the solid-state processes fully.

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In this study, we report the results of continuous rotation electron diffraction studies of single DyPO4·nH2O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3121) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.

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Atomic-resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to a high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns. However, for small-sized nanocrystalline materials, their diffraction patterns are often too faint to guide the tilting process. Here, a simple and effective tilting method is developed based on the diffraction contrast change of the shadow image in the Ronchigram. The misorientation angle of the specimen can be calculated and tilted to the zone axis based on the position of the shadow image with lowest intensity. This method requires no prior knowledge of the sample and the maximum misorientation angle that can be corrected is >±6.9° with sub-mrad accuracy. It operates in real space, without recording the diffraction patterns of the specimens, making it particularly effective for nanocrystalline materials. Combined with the scripting to control the microscope, the sample can be automatically tilted to the zone axis under low dose conditions (<0.17 e- Å- 2 s-1), facilitating the imaging of beam sensitive materials such as zeolites or metal-organic frameworks. This automated tilting method can significantly contribute to the atomic-scale characterization of the nanocrystalline materials by STEM imaging.

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PURPOSE: To analyze the microstructural and mechanical properties of various commercial trademarks of lithium disilicate ceramics for CAD-CAM systems. MATERIALS AND METHODS: Specimens of different lithium disilicate ceramics were obtained and randomized into 5 groups (n = 14): EM: e.max CAD; RT: Rosetta SM; EV: Evolith; PM: Smile-Lithium CAD; and, HS: HaHaSmile. The microstructural analysis was performed by X-ray diffraction (XRD) and scanning electron microscopy (SEM); for flexural strength, the three-point bending flexure test was used. XRD and SEM data were qualitatively evaluated. Data from flexural strength were assessed with one-way ANOVA test (α = 0.05) and Weibull analysis. RESULTS: High peaks corresponding to the lithium metasilicate and lithium disilicate pattern with similar intensities were observed in all ceramics in the XRD analysis. SEM images showed similar patterns of crystalline structure in the EM and RT ceramics, while the other three groups presented different crystal morphologies than the previous ones and were similar to each other. No differences were found in flexural strength among the groups (p = 0.28). CONCLUSIONS: The CAD-CAM lithium disilicate ceramics showed comparable crystalline intensities. The microstructure of the EM and RT ceramics were different from the other groups. Flexural strength was similar among all ceramics.

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The stratum corneum (SC) presents certain limitations for topical administration of medication, which can be overcome using penetration enhancers (PEs) such as terpene (TP). The SC is also crucial for maintaining the skin barrier and consists of two lamellar structures: the short periodicity phase (SPP) and long periodicity phase (LPP). In this study, we monitored changes in the X-ray diffraction peaks of the human SC, 30 min after TP application (neroridol, 1,8-cineol, and d-limonene). With the application of nerolidol, no significant changes were observed in the small-angle diffraction peak positions for the lamellar structure of SPP, but the integrated intensity decreased. On the contrary, when applying 1,8-cineole and d-limonene, a lower angle peak shift with broadening of the peak width of SPP diffraction peaks was observed for d-limonene than for 1,8-cineole, and the degree of peak shift and width broadening was greater for d-limonene than for 1,8-cineole. The diffraction peaks of LPP disappeared when 1,8-cineole and d-limonene were applied. These results indicate that the degree of interaction between the SC and TP differs depending on the molecular species, and d-limonene and 1,8-cineole exhibit penetration-enhancing via lamellar structure disruption of both SPP and LPP, immediately after application.

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Particle plasmon resonance (PPR), or localized surface plasmon resonance (LSPR), utilizes intrinsic resonance in metal nanoparticles for sensor fabrication. While diffraction grating waveguides monitor bioaffinity adsorption with out-of-plane illumination, integrating them with PPR for biomolecular detection schemes remains underexplored. This study introduces a label-free biosensing platform integrating PPR with a diffraction grating waveguide. Gold nanoparticles are immobilized on a glass slide in contact with a sample, while a UV-assisted embossed diffraction grating is positioned opposite. The setup utilizes diffraction in reflection to detect changes in the environment's refractive index, indicating biomolecular binding at the gold nanoparticle surface. The positional shift of the diffracted beam, measured with varying refractive indices of sucrose solutions, shows a sensitivity of 0.97 mm/RIU at 8 cm from a position-sensitive detector, highlighting enhanced sensitivity due to PPR-diffraction coupling near the gold nanoparticle surface. Furthermore, the sensor achieved a resolution of 3.1 × 10-4 refractive index unit and a detection limit of 4.4 pM for detection of anti-DNP. The sensitivity of the diffracted spot was confirmed using finite element method (FEM) simulations in COMSOL Multiphysics. This study presents a significant advancement in biosensing technology, offering practical solutions for sensitive, rapid, and label-free biomolecule detection.

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Laser dazzling on complementary metal oxide semiconductor (CMOS) image sensors is an effective method in optoelectronic countermeasures. However, previous research mainly focused on the laser dazzling under far fields, with limited studies on situations that the far-field conditions were not satisfied. In this paper, we established a Fresnel diffraction model of laser dazzling on a CMOS by combining experiments and simulations. We calculated that the laser power density and the area of saturated pixels on the detector exhibit a linear relationship with a slope of 0.64 in a log-log plot. In the experiment, we found that the back side illumination (BSI-CMOS) matched the simulations, with an error margin of 3%, while the front side illumination (FSI-CMOS) slightly mismatched the simulations, with an error margin of 14%. We also found that the full-screen saturation threshold for the BSI-CMOS was 25% higher than the FSI-CMOS. Our work demonstrates the applicability of the Fresnel diffraction model for BSI-CMOS, which provides a valuable reference for studying laser dazzling.

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Determining the full five-parameter grain boundary characteristics from experiments is essential for understanding grain boundaries impact on material properties, improving related models, and designing advanced alloys. However, achieving this is generally challenging, in particular at nanoscale, due to their 3D nature. In our study, we successfully determined the grain boundary characteristics of an annealed nickel-tungsten alloy (NiW) nanocrystalline needle-shaped specimen (tip) containing twins using Scanning Precession Electron Diffraction (SPED) Tomography. The presence of annealing twins in this face-centered cubic (fcc) material gives rise to common reflections in the SPED diffraction patterns, which challenges the reconstruction of orientation-specific virtual dark field (VDF) images required for tomographic reconstruction of the 3D grain shapes. To address this, an automated post-processing step identifies and deselects these shared reflections prior to the reconstruction of the VDF images. Combined with appropriate intensity normalization and projection alignment procedures, this approach enables high-fidelity 3D reconstruction of the individual grains contained in the needle-shaped sample volume. To probe the accuracy of the resulting boundary characteristics, the twin boundary surface normal directions were extracted from the 3D voxelated grain boundary map using a 3D Hough transform. For the sub-set of coherent Σ3 boundaries, the expected {111} grain boundary plane normals were obtained with an angular error of <3° for boundary sizes down to 400 nm². This work advances our ability to precisely characterize and understand the complex grain boundaries that govern material properties.

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We describe a method for identifying and clustering diffraction vectors in four-dimensional (4-D) scanning transmission electron microscopy data to determine characteristic diffraction patterns from overlapping structures in projection. First, the data is convolved with a 4-D kernel, then diffraction vectors are identified and clustered using both density-based clustering and a metric that emphasizes rotational symmetries. The method works well for both crystalline and amorphous samples and in high- and low-dose experiments. A simulated dataset of overlapping aluminum nanocrystals provides performance metrics as a function of Poisson noise and the number of overlapping structures. Experimental data from an aluminum nanocrystal sample shows similar performance. For an amorphous Pd77.5Cu6Si16.5 thin film, experiments measuring glassy structure show strong evidence of 4- and 6-fold symmetry structures. A significant background arises from the diffraction of overlapping structures. Quantifying this background helps to separate contributions from single, rotationally symmetric structures vs. apparent symmetries arising from overlapping structures in projection.

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The SrFeO3 nanoparticles doped with 5% and 10% Gd were synthesized using the solution combustion method. The phase formation of the synthesized nanoparticles was confirmed by powder XRD analysis. FESEM and HRTEM were employed to examine the morphology of the samples, revealing well-ordered, agglomerated nanoparticles. EDAX analysis was conducted on all samples, confirming the presence of the desired elements. X-ray photoelectron spectroscopy confirmed the presence of mixed oxidation states of Fe3+ and Fe4+. Magnetization studies, performed using a SQUID magnetometer, showed ferromagnetic behaviour in all samples, with a significant increase in magnetic moment observed with higher Gd doping. The enhanced magnetic moments and reduced coercivity in Gd-doped SrFeO3 suggest that these materials could be suitable for spintronic applications.

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In this work, bismuth ferrites (BFO) nanoparticles were produced in the form of using sol-gel technique, followed by annealing in a tube furnace in temperatures from 400 °C to 650 ºC. X-ray diffraction (XRD) results showed the formation of small sizes nanoparticles (NPs) with high purity. Structural analysis displayed that annealing at 600 ºC could make BFO NPs be fitted to rhombohedral space group (R3c), with small quantity of spurious phases. The sizes of the BFO nanoparticles determined by transmission electron microscopy (HRTEM) are between 50 to 100 nm. To evaluate the efficiency of BFO in antimicrobial susceptibility tests, the nanoparticles were dispersed through nanoemulsion and tested agar diffusion method and dilution in a 96 well plate using a Gram positive strains (Staphylococcus aureus) and Gram negative strain (Escherichia coli). The antibacterial activity of the BFO NPs was partially tested at concentrations of 2 mg/mL with MIC greater than 60 µg/mL for both bacteria.

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OBJECTIVE: Radiation therapy is applied in the treatment of head and neck cancer patients. However, oral-health-related side effects like hyposalivation and a higher prevalence of caries have been shown. This study aims to assess the influence of different radiotherapy doses on the mechanical properties, roughness, superficial microstructure, and crystallinity of the enamel and dentin of human premolar teeth. METHODS: Specimens (n = 25) were categorized into five groups based on the radiation dose received (0, 10, 30, 50, and 70 Gy). The enamel and dentin of these specimens were subjected to a microhardness tester, profilometer, atomic force microscopy (AFM), scanning electron microscopy (SEM), and X­ray diffraction (XRD) before and after different irradiation doses and compared to hydroxylapatite in each group. The data were analyzed using repeated-measures analysis of variance (ANOVA). RESULTS: Therapeutic radiation doses of 30, 50, and 70 Gy led to a decrease in the microhardness and an increase in the average roughness of the enamel, and rougher surfaces were observed in the mixed three-dimensional images. Moreover, in the dentin, a similar outcome could be observed for more than 10 Gy. The main crystalline phase structure remained hydroxylapatite, but the crystallinity decreased and the crystalline size increased above 10 Gy. The superficial micromorphology revealed granulation, fissures, and cracks in a dose-dependent manner. Radiation below 70 Gy had little effect on the hydroxylapatite concentration during the whole experiment. CONCLUSION: Above a radiation dose of 30 Gy, the micromorphology of the tooth enamel changed. This occurred for dentin above 10 Gy, which indicates that dentin is more sensitive to radiotherapy than enamel. The radiation dose had an effect on the micromorphology of the hard tissues of the teeth. These results illustrate the possible mechanism of radiation-related caries and have guiding significance for clinical radiotherapy.

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Precise regulation of sarcomeric contraction is essential for normal cardiac function. The heart must generate sufficient force to pump blood throughout the body, but either inadequate or excessive force can lead to dysregulation and disease. Myosin regulatory light chain (RLC) is a thick-filament protein that binds to the neck of the myosin heavy chain. Post-translational phosphorylation of RLC (RLC-P) by myosin light chain kinase is known to influence acto-myosin interactions, thereby increasing force production and Ca2+-sensitivity of contraction. Here, we investigated the role of RLC-P on cardiac structure and function as sarcomere length and [Ca2+] were altered. We found that at low, non-activating levels of Ca2+, RLC-P contributed to myosin head disorder, though there were no effects on isometric stress production and viscoelastic stiffness. With increases in sarcomere length and Ca2+-activation, the structural changes due to RLC-P become greater, which translates into greater force production, greater viscoelastic stiffness, slowed myosin detachment rates and altered nucleotide handling. Altogether, these data suggest that RLC-P may alter thick-filament structure by releasing ordered, off-state myosin. These more disordered myosin heads are available to bind actin, which could result in greater force production as Ca2+ levels increase. However, prolonged cross-bridge attachment duration due to slower ADP release could delay relaxation long enough to enable cross-bridge rebinding. Together, this work further elucidates the effects of RLC-P in regulating muscle function, thereby promoting a better understanding of thick-filament regulatory contributions to cardiac function in health and disease. KEY POINTS: Myosin regulatory light chain (RLC) is a thick-filament protein in the cardiac sarcomere that can be phosphorylated (RLC-P), and changes in RLC-P are associated with cardiac dysfunction and disease. This study assesses how RLC-P alters cardiac muscle structure and function at different sarcomere lengths and calcium concentrations. At low, non-activating levels of Ca2+, RLC-P contributed to myofilament disorder, though there were no effects on isometric stress production and viscoelastic stiffness. With increases in sarcomere length and Ca2+-activation, the structural changes due to RLC-P become greater, which translates into greater force production, greater viscoelastic stiffness, slower myosin detachment rate and altered cross-bridge nucleotide handling rates. This work elucidates the role of RLC-P in regulating muscle function and facilitates understanding of thick-filament regulatory protein contributions to cardiac function in health and disease.

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This paper reports results obtained using white light diffraction phase microscopy (wDPM) on captured images of breast and colon tissue samples, marking a contribution to the advancement in biomedical imaging. Unlike conventional brightfield microscopy, wDPM offers the capability to capture intricate details of biological specimens with enhanced clarity and precision. It combines high resolution, enhanced contrast, and quantitative capabilities with non-invasive, label-free imaging. These features make it a useful tool for tissue imaging, providing detailed and accurate insights into tissue structure and dynamics without compromising the integrity of the samples. Our findings underscore the potential of quantitative phase imaging in histopathology, in the context of automating the process of tissue analysis and diagnosis. Of particular note are the insights gained from the reconstructed phase images, which provide physical data regarding peripheral glandular cell membranes. These observations serve to focus attention on pathologies involving the basal membrane, such as early invasive carcinoma. Through our analysis, we aim to contribute to catalyzing further advancements in tissue (breast and colon) imaging.

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A new complex of copper(II) with methyl-5-(trifluoromethyl)pyrazol-3-yl-ketazine (H2L) was synthesized with the composition [Cu2L2]∙C2H5OH (1). Recrystallization of the sample from DMSO yielded a single crystal of the composition [Cu2L2((CH3)2SO)] (2). The coordination compounds were studied by single-crystal X-ray diffraction analysis, IR spectroscopy, and static magnetic susceptibility method. The data obtained indicate that the polydentate ligand is coordinated by both acyclic nitrogen and heterocyclic nitrogen atoms. The cytotoxic activity of the ligand and complex 1 was investigated on human cell lines MCF7 (breast adenocarcinoma), Hep2 (laryngeal carcinoma), A549 (lung carcinoma), HepG2 (hepatocellular carcinoma), and MRC5 (non-tumor lung fibroblasts). The complex was shown to have a pronounced dose-dependent cytotoxicity towards these cell lines with LC50 values in the range of 0.18-4.03 µM.

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The structure and physicochemical properties of polyvinyl alcohol (PVA) and PVA/glycerol films have been investigated by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), thermogravimetry/differential thermal analysis (TG/DTA), and advanced scanning probe microscopy (SPM). In the pure PVA films, SPM allowed us to observe ribbon-shaped domains with a different frictional and elastic contrast, which apparently originated from a correlated growth or assembly of PVA crystalline nuclei located within individual PVA clusters. The incorporation of 22% w/w glycerol led to modification in shape of those domains from ribbon-like in pure PVA to rounded in PVA/glycerol 22% w/w films; changes in the relative intensities of the XRD peaks and a decrease in the amorphous halo in the XRD pattern were also detected, while the DTA peak corresponding to the melting point remained at almost the same temperature. For higher glycerol content, FT-IR revealed additional glycerol-characteristic peaks presumably related to the formation of glycerol aggregates, and XRD, FT-IR, and DTA all indicated a reduction in crystallinity. For more than 36% w/w glycerol, the plasticization of the films complicated the acquisition of SPM images without tip-induced surface modification. Our study contributes to the understanding of crystallinity in PVA and how it is altered by a plasticizer such as glycerol.