Search Results (102)

This study presents the synthesis, physicochemical characterization, and biological evaluation of a novel ternary nickel(II) complex with isoleucine and 1,10-phenanthroline ligands, [Ni(Phen)(Ile)₂]∙6H₂O, designed as a potential antitumor agent. Single-crystal X-ray diffraction revealed a monoclinic structure (C2-space group) with an octahedral Ni(II) coordination involving Phen and Ile ligands. A Hirshfeld surface analysis highlighted intermolecular interactions stabilizing the crystal lattice, with hydrogen bonds (H···H and O···H/H···O) dominating (99.1% of contacts). Density functional theory (DFT) calculations, including solvation effects (in water and methanol), demonstrated strong agreement with the experimental geometric parameters and revealed higher affinity to the water solvent. The electronic properties of the complex, such as HOMO−LUMO gaps (3.20–4.26 eV) and electrophilicity (4.54–5.88 eV), indicated a charge-transfer potential suitable for biological applications through interactions with biomolecules. Raman and infrared spectroscopic studies showed vibrational modes associated with Ni–N/O bonds and ligand-specific deformations, with solvation-induced shifts observed. A study using ultraviolet–visible–near-infrared absorption spectroscopy demonstrated that the complex remains stable in solution. In vitro cytotoxicity assays against MCF-7 (breast adenocarcinoma) and HCT-116 (colorectal carcinoma) cells showed dose-dependent activity, achieving 47.6% and 65.3% viability reduction at 100 μM (48 h), respectively, with lower toxicity to non-tumor lung fibroblasts (GM07492A, 39.8%). Supporting the experimental data, we performed computational modeling to examine the pharmacokinetic profile, with particular focus on the absorption, distribution, metabolism, and excretion properties and drug-likeness potential. Full article

A multimethodic approach based on infrared, Raman, electron spin resonance and photoluminescence spectroscopy, absorption spectroscopy in near infrared, visible and ultraviolet regions, single-crystal X-ray diffraction as well as electron microprobe analyses was applied to the characterization of a new commensurately modulated cubic haüyne analogue with the modulation parameter of 0.2 and unit-cell parameter of 45.3629(3) Å (designated as haüyne-45Å) from the Malobystrinskoe lazurite deposit, in the Baikal Lake area, Siberia, Russia, as well as associated SO₃²⁻-bearing afghanite. Haüyne-45Å is the second member, after vladimirivanovite, of the sodalite group with a commensurately modulated structure. The average structure is based on the tetrahedral aluminosilicate sodalite-type framework with sodalite cages of different sizes. The simplified formula of haüyne-45Å is Na₆Ca_2−x(Si₆Al₆O₂₄)(SO₄²⁻,HS⁻,S₂^●−,S₄,S₃^●−,S₅²⁻)_2−y. The structural modulations of the haüyne-45Å framework are presumably related to the regular alternation of SO₄²⁻ anions with polysulfide S₂^●−, S₃^●−, S₄, and S₅²⁻ groups detected by the spectroscopic methods. Mechanisms of thermal conversions of S-bearing groups in haüyne-45Å under oxidizing and reducing conditions at temperatures up to 800 °C are studied, and their geochemical importance is discussed. Full article

A superconducting transition-edge sensor (TES) as a microcalorimeter detects incoming photons by measuring heat converted from photon energy. With high resolving power and low noise levels, a TES is sensitive to single photons and able to count photons within a wide spectral band from X-ray to near-infrared. We have developed a TES detector aiming at soft X-ray spectroscopy applications. In this work, the performance of this detector is characterized. It is shown that the energy resolution of this detector is about 1.8 eV for 1.5 keV photons. The good resolution is also kept in visible range, enabling photon-number resolving for 405 nm photons. Full article

Vanadium-bearing beryl is a vanadium-bearing variety of green beryl (distinct from emerald) that exhibits an “electro-optical” green (blue-green) color, which has led to its commercial popularity. However, the underlying coloration mechanism remains unclear. The present study adopted standard gemological tests and non-destructive spectroscopic tests, such as X-ray fluorescence, UV-visible-near infrared (UV-Vis-NIR), infrared and Raman spectroscopy, to analyze the vanadium-bearing beryl from Nigeria. The results of these tests indicated the presence of Fe as the predominant chromogenic element of vanadium-bearing beryl, followed by V, at a level exceeding that of Cr. Furthermore, the samples displayed lower levels of alkali and magnesium when compared to other beryls, accompanied by lower refractive indices and specific gravities. Spectroscopic analysis indicates that the structural channels are dominated by type I H₂O, with CO₂, HDO, and D₂O molecules also present. The inclusions observed in vanadium-bearing beryl bear a resemblance to those found in typical aquamarines, which are raindrop-shaped inclusions, and to those found in emeralds of various origins, which are irregular, jagged, gas–liquid two-phase/three-phase inclusions. The broad UV-Vis-NIR absorption bands at 427 and 610 nm are characteristic of V³⁺ (and a minor amount of Cr³⁺). Charge transfer between Fe²⁺ and Fe³⁺ may also contribute to the 610 nm band, which is superimposed on the absorption bands of V³⁺ and Cr³⁺. These factors primarily contribute to the blue-green coloration of beryl. The absorption induced by V³⁺ in the visible violet-blue region exhibits stronger intensity and a greater tendency towards the blue region compared to Cr³⁺. Consequently, the resultant vanadium-bearing beryl acquires the yellow-green hue (induced by V) overlaid with the light blue (induced by charge transfer between Fe²⁺-Fe³⁺ pairs), resulting in the so-called “electro-optical” green (blue-green) beryl. Full article

Extreme ultraviolet (EUV) imagers are key tools to monitor the space environment and forecast space weather. EUV filters are important components to block radiation in the ultraviolet (UV), visible, and near-infrared (IR) regions. In this study, various characterization methods were proposed for the nickel mesh-supported indium (In) filter, and their spectral characteristics were comprehensively studied. The material and thickness of the filter were chosen based on atomic scattering principles, determined through theoretical calculation and software simulation. The metal film was deposited using the vacuum-resistive thermal evaporation method. The measured transmission of the filter was 10.06% at 83.4 nm. The surface elements of the sample were analyzed using X-ray photoelectron spectroscopy (XPS). The surface and cross-sectional morphologies of the filter were observed using a scanning electron microscope (SEM). The impact of the oxide layer and carbon contamination on the filter’s transmittance was investigated using an ellipsometer. A multilayer “In-In₂O₃-C” model was established to determine the thickness of both the oxide layer and carbon contamination layer on the filter. This model introduces the filling factor based on the original model and considers the diffusion of the contamination layer, resulting in more accurate fitting results. The transmittance of the filter in the visible light range was measured using a UV-VIS spectrophotometer, and the measurement error was analyzed. This article provides preparation methods and test methods for the 83.4 nm EUV filter and conducts a detailed analysis of the spectral characteristics of the prepared optical filters, which hold significant value for space exploration applications. Full article

Daily exposure to contaminated environments and surfaces leads to serious health issues, increasing healthcare costs. Active materials that act against pathogens can effectively prevent their proliferation and contribute to increased protection against infections. In this contribution, nanostructured thin films containing silver are investigated, using SiO₂ and TiO₂ as transparent matrices to embed the Ag atoms. The thin transparent films were obtained via magnetron sputtering, using HiPIMS for Ag deposition and RF sputtering for oxides, in either an Ar or Ar/O₂ environment. Atomic Force Microscopy provided information on coating topography and the thin films’ preferential growth on the textured polymer foil, X-Ray Diffraction highlighted the structural difference between different versions, Ultraviolet–Visible–Near-Infrared spectroscopy proved the thin films’ optical quality and their transparency and Energy-Dispersive X-ray Spectroscopy revealed the composition changes for different processes. The effect of O₂ addition is analyzed and compared in terms of changes induced on the properties of the thin films. Following 24 h of incubation in a media containing 10⁴ CFU/mL Escherichia coli, the TiO₂+Ag sample with O₂ addition showed the highest antibacterial effectiveness, as indicated by the largest inhibition zone. Experiments on selective media showed a hierarchy of efficiency, namely, TiO₂+Ag+O₂ > TiO₂+Ag > SiO₂+Ag. Full article

The use of biomass feedstocks for producing high-value-added chemicals is gaining significant attention in the academic community. In this study, near-infrared carbon dots (NIR-CDs) with antimicrobial and bioimaging functions were prepared from Epigynum auritum branches and leaves using a novel green synthesis approach. The spectral properties of the synthesized NIR-CDs were characterized by ultraviolet–visible (UV-Vis) absorption and fluorescence spectroscopy. The crystal structures of the NIR-CDs were further characterized by high-resolution transmission electron microscopy (HR-TEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR), and X-ray diffraction (XRD). The NIR-CDs exhibited minimal toxicity, excellent biocompatibility, and high penetrability in both in vivo and in vitro environments, making them ideal luminescent probes for bioimaging applications. Moreover, the antimicrobial activity of NIR-CDs was tested against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli), showing significant bacterial growth inhibition. The antimicrobial effect is likely attributed to the NIR-CDs disrupting the cell membrane integrity, leading to the leakage of the intracellular contents. Therefore, NIR-CDs hold promise as fluorescent bioimaging probes and antimicrobial agents. Full article

Acid mine drainage (AMD) generated during the exploitation and utilization of mineral resources poses a severe environmental problem globally within the mining industry. The Xiaomixi Stream in Ziyang County, Shaanxi Province, is a primary tributary of the Han River, which is surrounded by historically concentrated mining areas for stone coal and vanadium ores. Rainwater erosion of abandoned mine tunnels and waste rock piles has led to the leaching of acidic substances and heavy metals, which then enter the Haoping River and its tributaries through surface runoff. This results in acidic water, posing a significant threat to the water quality of the South-to-North Water Diversion Middle Route within the Han River basin. According to this study’s investigation, Xiaomixi’s acidic water exhibits yellow and white precipitates upstream and downstream of the river, respectively. These precipitates stem from the oxidation of iron-bearing minerals and aluminum-bearing minerals. The precipitation process is controlled by factors such as the pH and temperature, exhibiting seasonal variations. Taking the Xiaomixi Stream in Ziyang County, Shaanxi Province, as the study area, this paper conducts field investigations, systematic sampling of water bodies and river sediments, testing for iron and aluminum pollutants in water, and micro-area observations using field emission scanning electron microscopy (FESEM) on sediments, along with analyzing the iron and aluminum content. The deposition is analyzed using handheld X-ray fluorescence (XRF) analyzers, X-ray diffraction (XRD), and visible–near-infrared spectroscopy data, and a geochemical model is established using PHREEQC software. This paper summarizes the migration and transformation mechanisms of iron and aluminum pollutants in acidic water and proposes appropriate prevention and control measures. Full article

Different sulfates (Ca-, Mg, and Fe- sulfates) have been extensively detected on the Martian surface. As one of the Martian sulfates, the presence of ferrous sulfates will provide valuable clues about the redox environment, hydrological processes, and climatic history of ancient Mars. In this study, three hydrated ferrous sulfates were prepared in the laboratory by heating dehydration reactions. These samples were analyzed using X-ray Diffraction (XRD) to confirm their phase and homogeneity. Subsequently, Raman, mid-infrared (MIR) spectra, visible near-infrared (VNIR) spectra, and laser-induced breakdown spectroscopy (LIBS) were measured and analyzed. The results demonstrate that the spectra of three hydrated ferrous sulfates exhibit distinctive features (e.g., the v₁ and v₃ features of ${\mathrm{S}\mathrm{O}}_4^{2-}$ tetrahedra in their Raman and MIR spectra) that can offer new insights for identifying different ferrous sulfates on Mars and aid in the interpretation of in-situ data collected by instruments such as the Scanning Habitable Environments with Raman & Luminescence for Organics & Chemicals (SHERLOC), SuperCam, and ChemCam, etc. Full article

To enhance lychee quality assessment and address inconsistencies in post-harvest pest detection, this study presents a multi-source fusion approach combining hyperspectral imaging, X-ray imaging, and visible/near-infrared (Vis/NIR) spectroscopy. Traditional single-sensor methods are limited in detecting pest damage, particularly in lychees with complex skins, as they often fail to capture both external and internal fruit characteristics. By integrating multiple sensors, our approach overcomes these limitations, offering a more accurate and robust detection system. Significant differences were observed between pest-free and infested lychees. Pest-free lychees exhibited higher hardness, soluble sugars (11% higher in flesh, 7% higher in peel), vitamin C (50% higher in flesh, 2% higher in peel), polyphenols, anthocyanins, and ORAC values (26%, 9%, and 14% higher, respectively). The Vis/NIR data processed with SG+SNV+CARS yielded a partial least squares regression (PLSR) model with an R² of 0.82, an RMSE of 0.18, and accuracy of 89.22%. The hyperspectral model, using SG+MSC+SPA, achieved an R² of 0.69, an RMSE of 0.23, and 81.74% accuracy, while the X-ray method with support vector regression (SVR) reached an R² of 0.69, an RMSE of 0.22, and 76.25% accuracy. Through feature-level fusion, Recursive Feature Elimination with Cross-Validation (RFECV), and dimensionality reduction using PCA, we optimized hyperparameters and developed a Random Forest model. This model achieved 92.39% accuracy in pest detection, outperforming the individual methods by 3.17%, 10.25%, and 16.14%, respectively. The multi-source fusion approach also improved the overall accuracy by 4.79%, highlighting the critical role of sensor fusion in enhancing pest detection and supporting the development of automated non-destructive systems for lychee stem borer detection. Full article

The microstructure of aluminum thin films, including the grain morphology and surface roughness, are key parameters for improving the thermal or electrical properties and optical reflectance of films. The first step in optimizing these parameters is a thorough understanding of the grain growth mechanisms and film structure. To investigate these issues, thin aluminum films with thicknesses ranging from 25 to 280 nm were coated on SiO_x/Si substrates at ambient temperature under high-vacuum conditions and a low argon pressure of 3 × 10⁻³ mbar (0.3 Pa) using the radio frequency magnetron sputtering method. Quantitative analyses of the surface roughness and nanograin characteristics were conducted using atomic force microscopy (AFM), transmission electron microscopy (TEM), and X-ray diffraction. Changes in specular reflectance were measured using ultraviolet–visible and near-infrared spectroscopy. The low roughness values obtained from the AFM images resulted in high film reflectivity, even for thicker films. TEM and AFM results indicate monomodal, randomly oriented grain growth without a distinct columnar or spherical morphology. Using TEM cross-sectional images and the dependence of the grain size on the film thickness, we propose a grain growth mechanism based on the diffusion mobility of aluminum atoms through grain boundaries. Full article

This paper reports on the successful preparation of a low absorption–emission thermal control coating on the surface of LAZ933 magnesium–lithium alloy using the micro-arc oxidation method. This study analyzed the microstructure, phase composition, and thermal control properties of the coating using Scanning Electron Microscopy (SEM), X-ray diffraction (XRD), UV–visible near-infrared spectroscopy (UV-VIS-NIR) and infrared emissivity measurements. The results indicate that the hemispherical emissivity of the coating remains unaffected with an increase in temperature and holding time, while the solar absorption ratio gradually increases. The thermal control performance of the coating after a high-temperature experiment was found to be related to the diffusion of the Li metal element in the magnesium lithium alloy matrix, as determined by X-ray photoelectron spectroscopy (XPS), flame graphite furnace atomic absorption spectrometry (GFAAS) and Glow Discharge Optical Emission Spectroscopy (GD-OES). As the holding time is extended, the coating structure gradually loosens under thermal stress. The Li metal element in the substrate diffuses outward and reacts with O₂, H₂O and CO₂ in the air, forming LiO₂, LiOH, Li₂CO₃ and other products. This reaction affects the coating’s solar absorption ratio in the end. Full article

A series of Sr_1−xDy_xTi_1−yNb_yO_3−δ (0.05 ≤ x, y ≤ 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N₂ + 5% H₂) reducing atmosphere. We studied the crystal structure and optical properties of Sr_1−xDy_xTi_1−yNb_yO_3−δ using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV−VIS−NIR) spectroscopy. The sintered Sr_1−xDy_xTi_1−yNb_yO_3−δ had a tetragonal structure (I4/mcm space group). In the sintered samples, Ti ions existed as a mixture of Ti³⁺ and Ti⁴⁺, and Nb ions existed as a mixture of Nb⁴⁺ and Nb⁵⁺. The band-gap energies decreased with increasing Dy/Nb concentrations. The incorporation of Ti and Nb ions, the formation of both Ti³⁺ and Nb⁴⁺ ions, and the reduction in band-gap energies are likely highly effective for increasing the electron concentration and the corresponding electrical conductivity. Sr_1−xDy_xTi_1−yNb_yO_3−δ with high electrical conductivity is suitable for energy and electronics applications. Full article

New Nd³⁺-doped cadmium molybdato-tungstates with the chemical formula of Cd_1−3x▯_xNd_2x(MoO₄)_1−3x(WO₄)_3x (where x = 0.0283, 0.0455, 0.0839, 0.1430, 0.1875, 0.2000, 0.2500, and ▯ denotes a vacant site in the crystal lattice) were successfully synthesized by the high-temperature solid state reaction method, using CdMoO₄ and Nd₂(WO₄)₃ as the initial reactants. The structure and change in their lattice parameters as a function of Nd³⁺ ion concentration were investigated by the XRD (X-ray diffraction) method. The surface morphology and grain size of the doped materials were characterized by SEM (scanning electron microscopy). Their thermal properties and initial reactants were analyzed by DTA-TG (differential thermal analysis coupled with thermogravimetry) techniques. The optical properties of the Nd³⁺-doped cadmium molybdato-tungstates, such as optical band gap, were determined by UV–vis–NIR (ultraviolet–visible–near infrared) spectroscopy. The EPR (electron paramagnetic resonance) technique provided information on the type of magnetic interactions between Nd³⁺ ions. Full article

Despite advances in conservation–restoration treatments, most surface cleaning tests are subjectively evaluated. Scores according to qualitative criteria are employed to assess results, but these can vary by user and context. This paper presents a range of cleaning efficacy and homogeneity evaluation metrics for appraising cleaning trials, which minimise user bias by measuring quantifiable changes in the appearance and characteristic spectral properties of surfaces. The metrics are based on various imaging techniques (optical imaging by photography using visible light (VIS); spectral imaging in the visible-to-near-infrared (VNIR) and shortwave infrared (SWIR) ranges; chemical imaging by Fourier transform infrared (FTIR) spectral mapping in the mid-infrared (MIR) range; and scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDX) element mapping). They are complemented by appearance measurements (glossimetry and colourimetry). As a case study showcasing the low-cost to high-end metrics, agar gel spray cleaning tests on exposed ground and unvarnished oil paint mock-ups are reported. The evaluation metrics indicated that spraying agar (prepared with citric acid in ammonium hydroxide) at a surface-tailored pH was as a safe candidate for efficacious and homogenous soiling removal on water-sensitive oil paint and protein-bound ground. Further research is required to identify a gel-based cleaning system for oil-bound grounds. Full article