Search Results (3,275)

The present work reports the bioguided isolation of constituents from the ethanol extract of Holarrhena floribunda stem bark, their identification by UHPLC-ESI-QTOF-MS/MS identification, and the in silico prediction of the pharmacokinetic and toxicity parameters. The crude extract, along with its n-hexane and alkaloid-rich fractions, displayed moderate to good antiplasmodial activity in vitro against chloroquine-sensitive (3D7) and multidrug-resistant (Dd2) strains of Plasmodium falciparum, with IC₅₀ values ranging from 6.54 to 43.54 µg/mL. Seventeen steroidal alkaloids (1–17) were identified in the most active fraction using UHPLC-ESI-QTOF-MS/MS, based on their fragmentation patterns and analysis with the Structural Similarity Network Annotation Platform for Mass Spectrometry (SNAP-MS). Furthermore, bioguided isolation of the ethanol extract yielded twenty-one compounds (3, 5, 10, 14–16, 18–31), whose structures were elucidated by spectroscopic methods. Among them, compounds 5, 14, and 27 showed the highest potency against the two strains of P. falciparum, with IC₅₀ values between 25.97 and 55.78 µM. In addition, the in silico prediction of pharmacokinetic parameters and drug-likeness using the SwissADME web tool indicated that most of the evaluated compounds (1, 3–5, and 14–16) complied with Lipinski’s rule of five. Full article

Siraitia grosvenorii (S. grosvenorii), a traditional medicine food homology plant, serves both dietary and medicinal purposes and is increasingly exploited for its bioactivities in pharmaceuticals and nutritional value. In this research, fifteen glycosides including three new cucurbitane-type triterpenoid glycosides named Luohanguosides A–C (1–3) and twelve known ones (4–15) have been isolated from the aqueous extract of fresh S. grosvenorii fruits. A comprehensive analysis of 1D, 2D-NMR, HRESIMS techniques along with some other spectroscopic methods led to the elucidation of their chemical structures. Further investigation focused on the hepatoprotective activities of compounds 1–15. It turned out that compounds 1, 5, and 10 exhibited significant hepatoprotective activities compared to bicyclol under the same concentration (20 μM), providing scientific support for further research on S.grosvenorii products for their preventive potential of hepatic diseases. Full article

Jefea lantanifolia (S. Schauer) Strother is traditionally used in Hidalgo, Mexico, to manage type 2 diabetes (T2D). The aerial parts are prepared as an infusion and consumed throughout the day. This study conducted a 2 h acute experiment under both fasting and postprandial conditions to evaluate the effects of the aqueous infusion (AE), the ethanol–water extract (EWE), and their isolated constituents in hyperglycemic rats. Structures were established using conventional spectroscopic methods. The absolute configuration was determined by optical rotation and calculated electronic circular dichroism (ECD) methods. Phytochemical analysis led to the isolation of six compounds: luteolin (1); 2β-hydroxy-dimerostemma brasiolide-1-O-(3-hydroxymethacrylate) (2); homoplantaginin (3); cynarin (4); luteolin-7-O-glucoside (5); and nepitrin (6). The extract was deemed safe at a dose of 2 g/kg b. w. in acute toxicity assays. In vivo experiments showed significant reductions in blood glucose levels during fasting, with compounds 2 and 3 achieving reductions of 42% and 40%, respectively, compared to 51% with glibenclamide. Postprandially, all treatments demonstrated effective glucose-lowering activity, particularly compound 3 and the EWE. These findings support the traditional use of J. lantanifolia and highlight its phytochemicals as promising candidates for further pharmacological investigation. Long-term studies and high-dose evaluations are warranted to validate therapeutic potential and establish safety profiles. Full article

The Gangdese metallogenic belt (GMB), spanning nearly 2000 km across central Tibet, represents the primary copper–polymetallic metallogenic belt in Tibet and a world-class porphyry copper province. However, extreme high-altitude conditions, ecological fragility, and limited accessibility in western GMB have significantly constrained the efficacy of conventional exploration methods. Identifying effective mineralogical indicators and rapidly delineating mineralization–hydrothermal centers within this metallogenic system remain critical challenges for exploration geologists. This study integrates multispectral remote sensing (MSRS; Sentinel-2) with short-wave infrared (SWIR) spectral analysis to establish mineral spectroscopic exploration indicators for the periphery of the Zhunuo porphyry copper ore-concentrated area. Principal Component Analysis (PCA) and band ratio techniques were employed to delineate remote sensing alteration anomalies, followed by SWIR spectral features to identify mineralization–hydrothermal centers. Hydrothermal alteration in the study area is dominated by sericite, chlorite, and epidote, with subordinate carbonate and sulfate minerals. Multispectral anomalies (Al-OH, ferric contamination, and carbonate alterations) in the Dingyang area exhibit intensity and compositional patterns comparable to those of the Cimabanshuo, Beimulang, and Zhigunong deposits, indicating high mineralization potential. SWIR analysis identified sericite-based exploration indicators (Pos2200 < 2203 nm, Dep2200 > 0.3, SWIR-IC > 1.6). A Spectral Feature-Based Geological Content Method (SFGCM) model was developed to delineate mineralization–hydrothermal centers, revealing new malachite and azurite mineralization in the Dingyang area. The MSRS-SWIR provides a novel perspective for applying spectroscopy to rapidly identify porphyry copper mineralized hydrothermal centers in high-altitude, ecologically fragile areas. Full article

This study investigates the structural and magnetic properties of CoFe₂O₄ nanoparticles prepared by five different synthesis methods: coprecipitation, ultrasound-assisted coprecipitation, coprecipitation coupled with mechanochemical treatment, microemulsion and microwave-assisted hydrothermal synthesis. The produced powders were additionally functionalized with starch to improve biocompatibility and colloidal stability. The starch-coating procedure itself by sonication in starch solution, as well as its result, affects the structural and magnetic properties of functionalized nanoparticles. The resulting changes of properties in the process of ligand addition depend significantly on the starting nanoparticles, or rather, on the method of their synthesis. The structural, magnetic and spectroscopic properties of the resulting materials were systematically investigated using X-ray diffraction (XRD), Raman spectroscopy, Mössbauer spectroscopy and magnetic measurements. Taken together, XRD, Raman and Mössbauer spectroscopy show that starch deposition reduces structural disorder and internal stress, resulting in nanoparticles with a more uniform size distribution. These changes, in turn, affect all magnetic properties—magnetization, coercivity and magnetic anisotropy. Magnetic responses are preserved what is desirable for future biomedical applications. This work emphasizes the importance of surface modification for tailoring the properties of magnetic nanoparticles while maintaining their desired functionality. Full article

The search for bioactive compounds against chronic diseases such as cancer and diabetes
includes curcuminoids as promising scaffolds. Here, we report the synthesis of a family
of curcuminoid analogue compounds with an extended unsaturated central chain, as follows:
difluoroboron complex 1, the enolised curcuminoid 2, and its homoleptic copper
complex 3, in moderate to good yields (68–90%). Additionally, their β-cyclodextrin (BCD)
association complexes, 4 and 5, were prepared through a mechanochemical method and
characterised by spectroscopic techniques. Complete ¹H and ¹³C NMR assignments and
NOESY correlations revealed unique solvent effects on the conformational disposition of
compound 2, while the copper complex 3 displayed the highest extinction coefficient (1.20
× 10⁵ M⁻¹·cm⁻¹). Furthermore, the authentication of the polymorph of 1 and the new crystal
structures of 2 and 3, determined by single-crystal X-ray analysis, were highlighted. Although
the copper complex 3 initially exhibited the lowest a-glucosidase inhibitory activity
(IC₅₀ > 100 μM), it showed a significant increase (IC₅₀ = 36.27 μM) upon association with
BCD, reaching values comparable to the free ligand (IC₅₀ = 45.63 μM). Compounds 1–5
were non-toxic to healthy cells (COS-7), but compound 5 stands out as a promising candidate
against this metabolic condition. Full article

Silicon-doped C₆₀ fullerenes represent a distinctive class of heterofullerenes with tunable structural, electronic, and chemical properties arising from substitutional incorporation of Si atoms into the carbon cage. This review provides a comprehensive analysis of substitutional Si–C₆₀ systems and their endohedral and exohedral complexes, with emphasis on synthesis strategies, structural features, and theoretical investigations. Experimental methods, including laser vaporization and arc discharge of Si-containing graphite targets, have enabled the preparation of Si-doped fullerenes, although challenges remain in controlling the dopant number, position, and distribution. Computational studies, dominated by density functional theory and molecular dynamics simulations, elucidate the effects of Si substitution on cage geometry, HOMO–LUMO modulation, charge localization, aromaticity, and finite-temperature stability. Exohedral functionalization and endohedral encapsulation of Si-doped cages significantly enhance their potential for applications in sensing, catalysis, energy storage, and nanomedicine. Si incorporation consistently strengthens adsorption of small molecules, pharmaceuticals, biomolecules, and environmental pollutants, often transforming weak physisorption into strong chemisorption with pronounced electronic and spectroscopic changes. The synergistic insights from experimental and theoretical work establish Si-doped fullerenes as versatile, electronically responsive nanoplatforms, offering a balance between stability, tunability, and reactivity, and highlighting future opportunities for targeted synthesis and application-specific design. Full article

A series of guaiazulene derivatives were efficiently synthesized by one-step reaction using guaiazulene as the substrate. Their structures were fully characterized by comprehensive spectroscopic methods, and their antiviral activities against influenza A (H1N1) virus were evaluated. Compounds 2b, 2d, 2e, 2f, 3a, and 3b exhibited significant anti-influenza activity, with IC₅₀ values of 89.03 µM, 98.48 µM, 78.38 µM, 108.20 µM, 50.96 µM, and 56.09 µM, respectively. Ribavirin was used as a positive control (IC₅₀ = 130.22 µM). Full article

In laser wireless power transmission systems, the powersphere serves as a spherical enclosed receiver that performs photoelectric conversion, achieving uniform light distribution within the cavity through infinite internal light reflection. However, in practical applications, the high level of light absorption displayed by photovoltaic cells leads to significant disparities in light intensity between directly irradiated regions and reflected regions on the inner surface of the powersphere, resulting in poor light uniformity. One approach aimed at addressing this issue uses a spectroscope to split the incident beam into multiple paths, allowing the direct illumination of all inner surfaces of the powersphere and reducing the light intensity difference between direct and reflected regions. However, experimental results indicate that light transmission through lenses introduces power losses, leading to improved uniformity but reduced output power. To address this limitation, this study proposes a method that utilizes multiple incident laser beams combined with a centrally positioned spherical reflector within the powersphere. A wireless power transmission system model was developed using optical simulation software, and the uniformity of the intracavity light field in the system was analyzed through simulation. To validate the design and simulation accuracy, an experimental system incorporating semiconductor lasers, spherical mirrors, and a powersphere was constructed. The data from the experiments aligned with the simulation results, jointly confirming that integrating a spherical reflector and distributed incident lasers enhances the uniformity of the internal light field within the powersphere and improves the system’s efficiency. Full article

Background/Objectives: Hypericum cerastoides (Spach) N. Robson is a lesser-known species with potential pharmacological importance. This study aimed to profile phenolic compounds in its aerial parts and assess biological activities of isolated constituents, focusing on radical-scavenging, anti-α-glucosidase, and pro-lipase effects. Methods: Phenolic compounds from H. cerastoides aerial parts were dereplicated via UHPLC-HRMS/MS. The structures of isolated compounds were determined using spectroscopic methods (1D and 2D NMR, UV, and HRMS-ESI). Radical-scavenging was evaluated by DPPH and ABTS assays; anti-α-glucosidase and pro-lipase activities were measured by LC-MS. Results: UHPLC-HRMS profiling of a hydroalcoholic extract tentatively identified and quantified 39 phenolic compounds, mainly flavonoids and hydroxycinnamic acid derivatives. Furthermore, two new phenolic compounds, namely hypercerastoside A (HC4) and hypercerastoside B (HC6), together with three known compounds, coumaroylquinic acid (HC1), myricetin-3-O-glycoside (HC2), and myricetin-3-O-galactoside (HC3), as well as two artifacts, namely methyl ester of chlorogenic acid (HC5) and hypercerastoside C (HC7), were isolated from the ethylacetate extract of the aerial parts of title plant. Compounds HC2, HC3, and HC5 displayed the highest radical-scavenging activity. The anti-α-glucosidase test showed that compounds HC1 (IC₅₀ = 44 µM) and HC3 (IC₅₀ = 206 µM) possessed similar activity to acarbose (IC₅₀ = 206 µM). Myricetin glycosides HC2 and HC3 enhanced lipase activity fivefold at 200 µM. Conclusions: H. cerastoides is a promising source of bioactive phenolic compounds with significant radical-scavenging and enzyme-modulating activities. These preliminary findings support further exploration of its therapeutic potential, especially for oxidative stress-related disorders, type 2 diabetes, and cachexia. Full article

Carmustine (BCNU) is a powerful alkylating agent primarily used in the chemotherapeutic treatment of malignant brain tumors. However, its clinical application faces significant constraints due to its lipophilicity, low thermal stability, and rapid degradation in physiological environments. To tackle these challenges, our research aimed at the development and detailed characterization of α-cyclodextrin (α-CD) inclusion complexes (ICs) with BCNU employing three different synthesis techniques: co-grinding, cryomilling, and co-precipitation. The selected synthetic methods displayed variations dependent on the technique used, affecting the efficiency, inclusion ratios, and drug-loading capacities, with co-precipitation achieving the most favorable complexation parameters. Structural elucidation through ¹H NMR chemical shifts analysis indicated that only partial inclusion of BCNU occurred within α-CD in ICs produced via co-grinding, while cryomilling and co-precipitation allowed for complete inclusion. Multimodal spectroscopic analyses (FT-IR, UV-Vis, ¹³C CP MAS NMR, and ESI-MS) further substantiated the effective encapsulation of BCNU within α-CD, and systematic solubility assessments via Job’s continuous variation and the Benesi-Hildebrand method revealed a 1:1 host-guest stoichiometry. The ICs obtained were evaluated for BCNU release in vitro at pH levels of 4, 5, 6.5, and 7.4. The mechanism of BCNU drug release was determined to be Fickian diffusion, with the highest cumulative release noted in the acidic microenvironment. These findings collectively validate the effectiveness of α-CD as a functional excipient for the modulation of BCNU’s physicochemical properties through non-covalent complexation. This strategy shows potential for increasing the stability and solubility of BCNU, which may enhance its therapeutic effectiveness in the treatment of brain tumors. Full article

Cyclodextrin-based nanosponges (CDNSs) are novel polymers composed of cross-linked cyclodextrin (CD) macrocyclic units, whose characteristics make them great candidates for drug delivery systems with adjustable properties for the drug release process. Examination of the molecular structure and dynamics of CDNSs is a necessary starting point in the first step toward their broad application. Spectroscopic methods are effective analytical tools for probing the structure–property relationships of polymer structures. Infrared (IR) and Raman spectroscopies provide insight into the behavior of hydrogen bond (H-bond) networks influencing the properties of CDNS polymeric networks. Scattering techniques such as inelastic neutron scattering (INS) and Brillouin light scattering (BLS) probe elastic properties, while small-angle neutron scattering (SANS) examines the structural inhomogeneities and water sorption abilities of CDNS materials. Complete evaluation is possible using nuclear magnetic resonance (NMR), which can provide data on CDNS network dynamics. This article summarizes the results of a wide examination of CDNSs with the use of spectroscopic methods and reveals the links between the microscopic behavior and macroscopic properties of CDNSs, enabling the customization of their properties for various biomedical purposes. Full article

Excessive copper ions in the human body can cause a variety of diseases, such as gastrointestinal disorders, cirrhosis, and Alzheimer’s disease. Techniques like Inductively Coupled Plasma–Mass Spectroscopy and Atomic Absorption Spectroscopy are available for copper detection, but the associated cost issues for sample preparation and labor limit their application for on-site detection. Herein, we are reporting a versatile method for detecting copper ions using a peptide-functionalized gold nanoparticle sensor in combination with various optical spectroscopic techniques. The peptide (CW) exhibited selective sensing ability for Cu(II) with visual colorimetric and optical spectroscopic changes compared to other metal ions tested. CW showed a visual colorimetric response from colorless to light brown color after interaction with Cu(II). Converting CW to a gold nanoparticle appended (CW-AuNPs) nanoplatform enabled a multimodal detection platform for Cu (II), which utilizes colorimetric and optical spectrum changes and surface-enhanced Raman spectroscopy (SERS) to enable highly sensitive sensing of Cu(II), even at extremely low concentrations (76 nms.). CW-AuNPs exhibit a controlled aggregation property in the presence of Cu(II), resulting in the creation of hot spots for SERS-based detection. Moreover, the peptide unit attached to the gold nanoparticles serves both as a binding motif for Cu(II) and as a Raman reporter for Cu(II) sensing. Our comprehensive analysis, including solution-state and dry-mapping Raman spectroscopic studies, demonstrates remarkable picomolar sensitivity of the peptide–gold nanoparticle system for Cu(II) detection. Moreover, we prepared a paper test strip from CW-AuNPs and used it as a visual colorimetric platform for sensitive detection of copper ions. Full article

Bimetallic mesoporous photocatalysts were synthesized via a wet impregnation method using SBA-15 as a support, and characterized by UV–visible diffuse reflectance spectroscopy, low-angle X-ray diffraction and N₂ physisorption. Among the tested materials, the Ti/Mn combination exhibited the highest photocatalytic activity in azo dye degradation. To understand this enhanced performance, catalysts with varying Mn loads and calcination ramps were evaluated. Additionally, experiments with radical scavengers (isopropanol, chloroform) and under N₂ insufflation were conducted to identify the active radical species. Catalysts prepared with low Mn content and higher calcination ramps showed the greatest activity, which significantly decreased with isopropanol, indicating hydroxyl radicals as the main reactive species. In contrast, samples with higher Mn content and quicker heating displayed reduced activity in the presence of chloroform, suggesting superoxide radical involvement. Spectroscopic analyses (XPS, UV–Vis DRS) revealed that increasing Mn load promotes the formation of Mn²⁺ over Mn⁴⁺ species and lowers the band gap energy. These findings highlight the direct correlation between synthesis parameters, surface composition and optical properties, providing a strategy for fine-tuning the performance of a photocatalyst. Full article

High-precision measurements of direct solar radiation spectra are crucial for the development of solar resources, climate change research, and agricultural applications. However, the current measurement systems all rely on a moving two-axis tracking system with a complex structure and many error transmission links. In response to the above problems, a polar-axis rotating solar direct radiation spectroscopic measurement method is proposed, and an overall architecture consisting of a rotating reflector and a spectroradiometric measurement system is constructed, which simplifies the system’s structural form and enables year-round, full-latitude solar direct radiation spectroscopic measurements without requiring moving tracking. The paper focuses on the study of its optical system, optimizes the design of a polar-axis rotating solar direct radiation spectroscopy measurement optical system with a spectral range of 380–780 nm and a spectral resolution better than 2 nm, and carries out spectral reconstruction of the solar direct radiation spectra as well as the assessment of measurement accuracy. The results show that the point error distribution of the AM0 spectral curve ranges from −9.05% to 13.35%, and the area error distribution ranges from −0.04% to 0.09%; the point error distribution of the AM1.5G spectral curve ranges from −9.19% to 13.66%, and the area error distribution ranges from −0.03% to 0.11%. Both exhibit spatial and temporal uniformity exceeding 99.92%, ensuring excellent measurement performance throughout the year. The measurement method proposed in this study enhances the solar direct radiation spectral measurement system. Compared to the existing dual-axis moving tracking measurement method, the system composition is simplified, enabling direct solar radiation spectrum measurement at all latitudes throughout the year without the need for tracking, providing technical support for the development and application of new technologies for solar direct radiation measurement. It is expected to promote future theoretical research and technological breakthroughs in this field. Full article