Search Results (275)

Aqueous biphasic systems (ABSs) based on tetrabutylammonium bromide (TBABr) and potassium thiocyanate or citrate (K₃Cit) were proposed as “green” tools for liquid–liquid microextraction of Azorubine, Allura Red, Sunset Yellow, Tartrazine and Fast Green followed by spectrophotometric determination. The dye extraction into the water-saturated tetrabutylammonium thiocyanate phase, which separates from water when mixing aqueous solutions of TBABr and KSCN, depends on the hydrophobicity of dyes. Only Azorubine is extracted quantitatively at HCl concentration ≥ 0.05 mol L⁻¹, with an equimolar TBABr/KSCN ratio and total concentration of 0.4 mol L⁻¹ in less than 1 min. To estimate the hydrophobicity and identify factors affecting the distribution of dyes in ABSs, the experimental 1-octanol-water distribution coefficients of the dyes were determined. In contrast, all the dyes studied are quantitatively extracted into the TBABr–K₃Cit–H₂O ABS regardless of their hydrophobicity. The effects of pH, concentration of phase-forming components, extraction/centrifugation time and other factors were investigated for both ABSs. The linearity ranges and detection limits were 0.05–2.60 mg L⁻¹ and 0.006–0.02 mg L⁻¹, respectively. The proposed procedures were applied for the determination of dyes in food samples. Full article

An indirect, novel, fast, and facile assay was developed for the colorimetric determination of fluoride anions using 96-well plates. The proposed method relies on the colorimetric degradation caused by fluoride ions after their reaction with the iron–thiocyanate complex in an acidic medium. The procedure required the addition of minimal amounts of ferric iron and thiocyanate anion solutions to form the corresponding complex with an intense blood-red color, after which, upon addition of fluoride ions, this complex would dissociate, and its color would gradually fade depending on the analyte concentration. The colorimetric differences were measured using a simple imaging device such as a flatbed scanner. Various parameters affecting the analytical performance of the proposed method were optimized, including solution concentrations, pH values, and reaction time for Fe(III)-SCN complex formation and its disintegration process. The proposed assay was successfully applied to the determination of F⁻ in oral hygiene product samples. The method exhibited acceptable detection limits (3.2 mg L⁻¹) with sufficient precision, good intra-day and inter-day reproducibility (ranging from 1.5 to 5.2%), and high selectivity against other anions and components of the samples under study. Full article

A series of glycosylated thienopyrimidinone derivatives (7a–e and 8a–e), previously synthesized through a multi-step sequence involving a Gewald reaction, thiocyanate cyclization, functionalization with chloroacetic acid, and subsequent coupling with aldose sugars (glucose, mannose, galactose, xylose, and arabinose), were subjected to comprehensive biological evaluation. Structural confirmation of all compounds was achieved by spectroscopic and elemental analyses. Among them, compound 8e displayed remarkable antioxidant capacity, with radical scavenging activity surpassing standard controls, and demonstrated significant neuroprotective potential through its ability to attenuate oxidative stress, a key driver of neurodegeneration. Furthermore, 8e exhibited notable anti-arthritic and anti-diabetic effects, which may indirectly enhance neuroprotection by alleviating systemic inflammation and metabolic dysfunction—recognized risk factors for neurodegenerative disorders. Molecular docking and molecular dynamics studies revealed favorable binding interactions and structural stability of 8e with multiple biological targets, supporting its promise as a multifunctional neuroprotective candidate against oxidative stress and neurodegeneration. Full article

Wide-bandgap (WBG) perovskite solar cells (PSCs) are critical for high-efficiency tandem photovoltaic devices, but their practical application is severely limited by phase separation and poor film quality. To address these challenges, this study proposes a dual-additive passivation strategy using potassium thiocyanate (KSCN) and potassium chloride (KCl) to synergistically optimize the crystallinity and defect state of WBG perovskite films. The selection of KSCN/KCl is based on their complementary functionalities: K⁺ ions occupy lattice vacancies to suppress ion migration, Cl⁻ ions promote oriented crystal growth, and SCN⁻ ions passivate surface defects via Lewis acid-base interactions. A series of KSCN/KCl concentrations (relative to Pb) were tested, and the effects of dual additives on film properties and device performance were systematically characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), photoluminescence (PL), space-charge-limited current (SCLC), current-voltage (J-V), and external quantum efficiency (EQE) measurements. Results show that the dual additives significantly enhance film crystallinity (average grain size increased by 27.0% vs. control), reduce surface roughness (from 86.50 nm to 24.06 nm), and passivate defects-suppressing non-radiative recombination and increasing electrical conductivity. For WBG PSCs, the champion device with KSCN (0.5 mol%) + KCl (1 mol%) exhibits a power conversion efficiency (PCE) of 16.85%, representing a 19.4% improvement over the control (14.11%), along with enhanced open-circuit voltage (Voc: +2.8%), short-circuit current density (Jsc: +6.7%), and fill factor (FF: +8.9%). Maximum power point (MPP) tracking confirms superior operational stability under illumination. This dual-inorganic-additive strategy provides a generalizable approach for the rational design of stable, high-efficiency WBG perovskite films. Full article

Mesenchymal stem cells are widely cultivated in stirred tank bioreactors. Due to their adhesion properties, they are attached to small spherical spheres called microcarriers. To understand the hydromechanical stresses encountered by the cells, it is essential to characterize the flow using the PIV technique. However, the usual solid–liquid system used in cell cultures has poor optical properties. Thus, shifting to one with better optical properties, while respecting the physical characteristics, is mandatory to achieve a relevant representation. PMMA microparticles suspended with 61 wt% ammonium thiocyanate solution NH₄SCN were found to be a robust candidate. The refractive index (RI) of both sides is of the order of 1.491 with a density ratio of ${\rho }_f/{\rho }_p\approx$ 0.96, and particle size averaged around 168 μm. Using the RIM-PIV (refractive index matched particle image velocimetry) technique for a 0.7 L volume stirred tank equipped with an HTPG down-pumping axial impeller and operating at full homogeneous speed $N=150$ rpm, mean and turbulence quantities of the liquid phase were measured as a function of PMMA particle volume fractions ${\alpha }_p$, which ranged from 0.5 to 3 v%. This corresponds to a particle number density of $n=12$ particles/mm³, which is considered original and challenging for the PIV technique. At 3 v%, the addition of particles dampened the turbulent kinetic energy (TKE) of the liquid phase locally by 20% near the impeller. This impact became trivial (<10%) at the local-average level. The structure and direction of the recirculation loop also shifted. Full article

The aim of this work was to prepare new heterodimeric molecules containing pharmacophoric fragments of 3-cyanoquinoline/3-aminothieno[2,3-b]pyridine/3-aminothieno[2,3-b]quinoline on one side and phenothiazine on the other. The products were synthesized via selective S-alkylation of readily available 2-thioxo-3-cyanopyridines or -quinolines with N-(chloroacetyl)phenothiazines, followed by base-promoted Thorpe–Ziegler isomerization of the resulting N-[(3-cyanopyridin-2-ylthio)acetyl]phenothiazines. We found that both the S-alkylation and the Thorpe–Ziegler cyclization reactions, when conducted with KOH under heating, were accompanied to a significant extent by a side reaction involving the elimination of phenothiazine. Optimization of the conditions (0–5 °C, anhydrous N,N-dimethylacetamide and NaH or t-BuONa as non-nucleophilic bases) minimized the side reaction and increased the yields of the target heterodimers. The structures of the products were confirmed by IR spectroscopy, ¹H, and ¹³C DEPTQ NMR studies. It was demonstrated that the synthesized 3-aminothieno[2,3-b]pyridines can be acylated with chloroacetyl chloride in hot chloroform. The resulting chloroacetamide derivative reacts with potassium thiocyanate in DMF to form the corresponding 2-iminothiazolidin-4-one; in this process, phenothiazine elimination does not occur, and the Gruner–Gewald rearrangement product was not observed. The structural features and spectral characteristics of the synthesized 2-iminothiazolidin-4-one derivative were investigated by quantum chemical methods at the B3LYP-D4/def2-TZVP level. A range of drug-relevant properties was also evaluated using in silico methods, and ADMET parameters were calculated. A molecular docking study identified a number of potential protein targets for the new heterodimers, indicating the promise of these compounds for the development of novel antitumor agents. Full article

The potentially tetradentate SNNS ligand N,N′-(ethane-1,2-diyl)bis(N″-(diethylcarbamothioyl)benzimidamide, H₂L, was synthesized by the reaction of ethylenediamine with two equivalents of the corresponding benzimide chloride. H₂L readily reacts with [AuCl(tht)] (tht = tetrahydrothiophene) under formation of the binuclear gold(I) complex [(AuCl)₂(H₂L-κS,S′)] (1) using its thiocarbonyl units as donors, while the nitrogen atoms remain uncoordinated, and no deprotonation was observed. The gold atoms establish almost linear Cl–Au–S bonds. The terminal Cl⁻ ligands can be replaced with thiocyanate units, giving [Au(SCN-κS)}₂((H₂L-κS,S′)] (2). The use of [Au(PPh₃)Cl] as a starting material gives the cation [{Au(PPh₃)}₂(H₂L-κS,S′)]²⁺ (3), which can be isolated as its PF₆⁻ salt. The products are air-stable compounds, which have been isolated in crystalline form and studied by X-ray diffraction and spectroscopic methods (IR, NMR, and MS). Full article

Hypergolic ionic liquid fuels are promising alternatives to the toxic hydrazine-based propellants. The present study investigates the combustion performance of a fuel composed of 1-ethyl-3-methylimidazolium thiocyanate ([EMIM][SCN]) and copper(I) thiocyanate (CuSCN) with 95 wt% hydrogen peroxide (H₂O₂) in a 50 N thruster. Two injectors, DM1 (low pressure drop) and DM2 (high pressure drop), were tested at chamber pressures of 10 and 15 bar. The DM1 injector at 15 bar chamber pressure showed high combustion efficiency but suffered from strong pressure oscillations (>10% instability). Switching to the DM2 injector reduced instability (<5%) by increasing the pressure drop. Combustion stability was also improved as the fuel injector orifice diameter/fuel jet velocity (D/V) decreased. FFT analysis showed an instability frequency of 253 Hz with DM1/15 bar, which was higher than the DM1/10 bar test results. In conclusion, the test results revealed the injector or chamber design and pressure drop are the key factors in improving combustion stability for hypergolic propulsion systems. Full article

This paper assesses experimentally and theoretically the hydrogen-assisted cracking sensitivity of an ultrahigh-strength lath martensitic steel, recently used to manufacture tendon rods for structural engineering. The experimental values of the J-integral were obtained by tensile testing up to failure precracked SENT specimens in air, as an inert environment and in a thiocyanate aqueous solution, as a hydrogen-promoter medium. In parallel, the theoretical resources necessary to apply the Dugdale cohesive model to the SENT specimen were developed from the Green function in order to predict the J-integral dependency on the applied load and the crack size, with the cohesive resistance being the only material constant concerning fracture. The comparison of theoretical and experimental results strongly supports the premise that the cohesive crack accurately models the effect of the mechanisms by which the examined steel opposes crack propagation, both when in hydrogen-free and -embrittled conditions. The identification of experimental and theoretical limit values respectively involving a post-small-scale-yielding regime and unstable extension of the cohesive zone allowed for the value of the cohesive resistance to be determined, its condition as a material constant in hydrogen-free medium confirmed, and its strong decrease with hydrogen exposure revealed. Full article

Background: Acute lung injury (ALI) is driven by inflammatory cascades and reactive oxygen species (ROS) generation, with the progression to severe cases markedly increasing mortality. Sinapine thiocyanate (ST), a bioactive natural compound isolated from Sinapis Semen Albae (SSA), demonstrates both anti-inflammatory and antioxidant pharmacological activities. However, no monotherapeutic formulation of ST has been developed to date. A dry powder inhaler (DPI) enables targeted pulmonary drug delivery with excellent stability profiles and high inhalation efficiency. Methods: ST was purified and prepared as inhalable dry powder particles via an antisolvent crystallization technique. The therapeutic mechanisms of ST against ALI were elucidated by network pharmacology and pharmacokinetic analyses, with the therapeutic efficacy of the ST DPI in ALI mitigation being validated using LPS-induced rat models. Results: The ST DPI showed ideal aerodynamic characteristics. Notably, ST exhibited a three-compartment (triexponential) pharmacokinetic profile following both intravenous tail vein injection and inhalation administration. Furthermore, the inhaled formulation displayed a prolonged systemic residence time, which confers therapeutic advantages for pulmonary disease management. Furthermore, the inhalation administration of ST demonstrated a 2.7-fold increase in AUC compared with oral gavage, with a corresponding enhancement in systemic exposure. The ST DPI formulation demonstrated significant therapeutic efficacy against ALI in rats by downregulating inflammatory cytokines and modulating oxidative stress levels, mechanistically achieved through the MAPK-mediated regulation of cellular apoptosis via a positive feedback loop. Conclusions: The unique triexponential plasma level profiles of an ST DPI provide a promising pharmacokinetics-based therapeutic strategy for ALI, leveraging its marked efficacy in attenuating inflammation, oxidative stress, and pulmonary injury. Full article

As part of a systematic study on the structures of the mixed halide isothiocyanates, Sn^IIHal(NCS), their single crystals were grown and structurally characterized. For Hal = F (1), the SnClF structure type was confirmed, while with Hal = Cl (2), Br (3), and I (4), there are three isostructural compounds of a new structure type, and for Hal = Cl (5), there is a second modification of a third structure type. These structure types have been described with respect to the composition and coordination geometry of the first, second, and van der Waals crust coordination spheres and their dependence on the halogen size and thiocyanate binding modes. With respect to the first coordination spheres, all three structure types constitute one-dimensional coordination polymers. In 1, “ladder”-type double chains result from μ₃-bridging fluorine atoms, and in 2–4, single-chains built up from μ₂-halogen atoms are pairwise “zipper”-like interconnected via κ²NS-bridging NCS ligands, which manage the halogen-linked chain assembly in the double chains of 5. Based on the octet rule, short atom distances are interpreted in terms of 2c-2e and various (symmetrical, quasi-symmetrical, and asymmetrical) kinds of 3c-4e bonds. Weak contacts, the topology of which suggests the extension of the latter bonding concept, are identified as electron-deficient, bifurcated tetrel bonds. Full article

Salivary thiocyanate (SCN⁻) has long been recognized for its role in mucosal defense and antioxidant function, yet its behavior during physical activity remains unexplored. This study aimed to investigate salivary thiocyanate as a novel salivary biomarker responsive to exercise. A standard Vis–photometric method (thiocyanatoiron-complex formation) was utilized and validated for the rapid quantification of thiocyanate in saliva. The method was applied to two experimental setups: (i) a controlled treadmill protocol involving incremental running intensities (20%, 60%, and 90% VO₂max-mL/kg/min), and (ii) field sampling of athletes from various sports before and after their typical training sessions, managing a total of 162 athletes. This work is the first to quantitatively investigate thiocyanate as an exercise-induced salivary biomarker, validated through both controlled and real-world settings. Additionally, subgroup analysis across sex and smoking status revealed inter-individual variation in salivary SCN⁻ profiles. Across both setups, during controlled exercise intensity increment and typical training routine, thiocyanate concentrations consistently decreased in response to physical exertion. These results were statistically significant and reflected in both male and female athletes. This is the very first study that determines salivary SCN⁻ during any kind of physical exercise and opens new pathways for non-invasive sampling and for monitoring physiological stress and immune response in athletic populations. Full article

Thermodynamic parameters play a crucial role in analyzing and optimizing crystallization processes. In this investigation, the solubility profiles of erythromycin thiocyanate dihydrate were determined gravimetrically under atmospheric pressure (0.1 MPa) across six monosolvent systems (methanol, n-propanol, methyl acetate, ethyl acetate, propyl acetate, and water) and two binary solvent mixtures (water–methanol and water–n-propanol), spanning a temperature range of 278.15–318.15 K. The results showed that the solubility of erythromycin thiocyanate dihydrate is apparently affected by temperature and solvent type. For pure solvents, erythromycin thiocyanate dihydrate has higher solubility in alcohol solvents, and lower solubility in ester solvents and water. In mixed solvent systems, erythromycin thiocyanate dihydrate exhibits reduced solubility with higher water content. The experimental solubility values in monosolvent systems were correlated using the Apelblat, Yaws, and Van’t Hoff models, with the Apelblat model showing the best fitting effect. The Apelblat model, Apelblat Jouyban Acre model, and CNIBS/R-K model were employed for data correlation in binary solvent systems, with the Apelblat model and CNIBS/R-K model showing better fitting results. Full article

In the first part of this study, Y₂O₃-doped copper thiocyanate (CuSCN) with different x wt% (named CuSCN-xY, x = 0, 1, 2, and 3) films were synthesized onto ITO substrates using the spin coating method. UV-vis, SEM, AFM, EDS, and cyclic voltammetry were used to investigate the material properties of the proposed films. The conductivity and carrier mobility of the films increased with additional yttrium doping. It was found that the films with 2% Y₂O₃ (CuSCN-2Y) have the smallest valence band edges (5.28 eV). Meanwhile, CuSCN-2Y films demonstrated the densest surface morphology and the smallest surface roughness (22.8 nm), along with the highest conductivity value of 764 S cm⁻¹. Then, P-I-N self-powered UV photodetectors (PDs) were fabricated using the ITO substrate/ZnO seed layer/ZnO nanorod/CsPbBr₃/CuSCN-xY/Ag structure, and the characteristics of the devices were measured. In terms of response time, the rise time and fall time were reduced from 26 ms/22 ms to 9 ms/5 ms; the responsivity was increased from 243 mA/W to 534 mA/W, and the on/off ratio was increased to 2.47 × 10⁶. The results showed that Y₂O₃ doping also helped improve the P-I-N photodetector’s device performance, and the mechanisms were investigated. Compared with other published P-I-N self-powered photodetectors, our proposed devices show a fairly high on/off ratio, quick response times, and high responsivity and detectivity. Full article

Neutrophil extracellular trap (NET) formation is a process known as NETosis and is a critical innate immune response mechanism that can become pathologically dysregulated in various inflammatory, autoimmune, infectious, and neoplastic diseases. Reactive oxygen species (ROS) play a central role in NETosis induction, making antioxidants a promising therapeutic approach. This review outlines the molecular mechanisms underlying NET formation and highlights three principal antioxidant-based inhibitory strategies: NADPH oxidase (NOX) inhibition, ROS scavenging, and myeloperoxidase (MPO) inhibition. Evidence supports the use of agents such as diphenylene iodonium (NOX inhibitor), N-acetylcysteine and glutathione (ROS scavengers), and thiocyanate (MPO inhibitor), which significantly reduce NETosis in vitro and in vivo. Moreover, natural compounds like resveratrol show pleiotropic effects by modulating neutrophil activation, ROS production, and protease activity. Combination therapies that enhance total antioxidant capacity are particularly effective, though their translation to clinical practice faces challenges such as stimulus specificity, bioavailability, and maintaining immune competence. Antioxidant-based therapies thus represent a promising avenue for targeted NETosis modulation. Future research should focus on improving delivery systems, identifying NET-specific biomarkers, and integrating antioxidants into broader immunomodulatory strategies. Full article