Antiparasitic Activity of Isolated Fractions from Parthenium incanum Kunth against the Hemoflagellate Protozoan Trypanosoma cruzi.

This study focused on isolating, identifying, and evaluating the trypanocidal potential against the hemoflagellate protozoan Trypanosoma cruzi of compounds from Parthenium incanum (Mariola), a plant used in traditional Mexican medicine to treat stomach and liver disorders. P. incanum has a wide distribution in Mexico. This study found that methanolic extracts of P. incanum, obtained by static maceration and successive reflux, had promising results. The fractions were compared using thin-layer chromatography (TLC) and those that showed similarities were mixed. A bioguided assay was performed with Staphylococcus aureus ATCC 25923, using agar diffusion and bioautography techniques to determine the preliminary biological activity. The fractions with antimicrobial activity were purified using a preparative thin-layer chromatography (PTLC) plate, obtaining the bioactive bandages that were subjected to a trypanocidal evaluation against the Ninoa strain of T. cruzi in its epimastigote stage. This revealed an IC50 of up to 45 ± 2.5 µg/mL, in contrast to the values obtained from the crude extracts of less than 100 µg/mL. The TLC, Fourier-transform infrared spectroscopy (FT-IR), and high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS) techniques were used to identify the compounds, demonstrating the presence of sesquiterpene lactones, parthenin, and coronopolin. We concluded that these compounds have the potential to inhibit T. cruzi growth.

Microplastics associated with stranded macroalgae on an impacted estuarine beach, Rio de Janeiro, Brazil.

Microplastics (MPs) are contaminants widely distributed in marine ecosystems. Only few studies approached MP interactions with marine plants, which are considered potential traps for MPs. Here, we determined MPs' densities and types associated with stranded macroalgae on a eutrophic beach in Guanabara Bay. Our results showed that red algae exhibited higher MP densities (1.48 MPs g-1), possibly due to their more branched thalli, than green algae (0.27 MPs g-1). The predominant MP types were blue and white fragments <3 mm in size and polymers were classified as polyethylene and polyvinyl chloride in fragments, and polypropylene in fibers. The higher densities of MPs in algae seemed to be influenced by the inner bay waters. The densities of MPs associated with algae from Guanabara Bay surpassed those reported in other studies. High MPs densities increase the chances that organisms associated with algae entangle or ingest MPs, impacting their health and survival.

Supercritical CO2 Treatment to Modify Techno-Functional Properties of Proteins Extracted from Tomato Seeds.

Tomato seeds are a rich source of protein that can be utilized for various industrial food purposes. This study delves into the effects of using supercritical CO2 (scCO2) on the structure and techno-functional properties of proteins extracted from defatted tomato seeds. The defatted meal was obtained using hexane (TSMH) and scCO2 (TSMC), and proteins were extracted using water (PEWH and PEWC) and saline solution (PESH and PESC). The results showed that scCO2 treatment significantly improved the techno-functional properties of protein extracts, such as oil-holding capacity and foaming capacity (especially for PEWC). Moreover, emulsifying capacity and stability were enhanced for PEWC and PESC, ranging between 4.8 and 46.7% and 11.3 and 96.3%, respectively. This was made possible by the changes in helix structure content induced by scCO2 treatment, which increased for PEWC (5.2%) and decreased for PESC (8.0%). Additionally, 2D electrophoresis revealed that scCO2 hydrolyzed alkaline proteins in the extracts. These findings demonstrate the potential of scCO2 treatment in producing modified proteins for food applications.

Red Dragon Fruit Peels: Effect of Two Species Ratio and Particle Size on Fibre Quality and Its Application in Reduced-Fat Alpaca-Based Sausages.

This research aimed to assess the influence of red dragon fruit peels ratio (RDF-PR) from two species, Hylocereus hybridum (HH) and Hylocereus undatus (HU), and particle size (PS) on quality parameters of red dragon fruit peel powder (RDF-PP) and its further application in emulsified alpaca-based sausages as partial substitutes of pork-back fat. A three-level full factorial design (nine treatments) was employed to evaluate the effect of RDF-PR (HH(0%):HU(100%), HH(50%):HU(50%), and HH(100%):HU(0%)) and PS (499-297, 296-177, and <177 µm) on the dependent variables: L*, a*, b*, C, h°, water-holding capacity, oil-holding capacity, swelling capacity, pectin yield, degree of esterification (analysed through FT-IR), and crude fibre content. The data analysed through a response surface methodology showed that treatment one (T1) is the best with the optimised conditions at 100% HU RDF-PR and PS of <177 µm. The statistical validation of T1 exhibited the highest water-holding capacity (32.1 g/g peel), oil-holding capacity (2.20 g oil/g peel), and pectin yield (27.1%). A completely randomised design (four formulations) was then used to assess the effect of partial replacement of pork-back fat by T1 in emulsified alpaca-based sausages on the colourimetric, physicochemical, and texture properties (hardness, chewiness, cohesiveness, springiness, adhesiveness, and adhesive force). Likewise, a sensory hedonic scale was employed to evaluate the appearance, colour, odour, flavour, texture, and overall acceptability of sausages. The results revealed that 65.7% of pork-back fat content was successfully replaced compared with a control formulation. Additionally, F3 showed significantly (p < 0.05) better colourimetric, physicochemical, and textural characteristics, such as lower hardness (34.8 N) and chewiness (21.7 N) and higher redness (a* = 19.3) and C (22.9), compared to a control formulation. This research presents RDF-PP as a promising fat substitute for developing healthier, reduced-fat meat products using fibre-rich agroindustry by-products.

Providing potential solutions by using FT-IR spectroscopy for biofluid analysis: Clinical impact of optical screening and diagnostic tests.

BACKGROUND: Currently, the potential of FT-IR spectroscopy for rapid diagnosis of many pathologies has been demonstrated by numerous research studies including those targeting COVID-19 detection. However, the number of clinicians aware of this potential and who are willing to use spectroscopy in their clinics and hospitals is still negligible. In addition, lack of awareness creates a huge gap between clinicians and researchers involved in clinical translation of current FT-IR technology hence hindering initiatives to bring basic and applied research together for the direct benefit of patients. METHODS: Knowledge and medical training on FT-IR on the side of clinicians should be one of the first steps to be able to integrate it into the list of complementary exams which may be requested by health professionals. Countless FT-IR applications could have a life-changing impact on patients' lives, especially screening and diagnostic tests involving biofluids such as blood, saliva and urine which are routinely non-invasively or minimally-invasively. RESULTS: Blood may be the most difficult to obtain by the invasive method of collection, but much can be evaluated in its components, and areas such as hematology, infectiology, oncology and endocrinology can be directly benefited. Urine with a relatively simple collection method can provide pertinent information from the entire urinary system, including the actual condition of the kidneys. Saliva collection can be simpler for the patient and can provide information on diseases affecting the mouth and digestive system and can be used to diagnose diseases such as oral cancer in its early-stages. An unavoidable second step is the active involvement of industries to design robust and portable instruments for specific purposes, as the medical community requires user-friendly instruments of advanced computational algorithms. A third step resides in the legal situation involving the global use of the technique as a new diagnostic modality. CONCLUSIONS: It is important to note that decentralized funds for variety of technologies hinders the training of clinical and medical professionals for the use of newly arising technologies and affect the engagement of these professionals with technology developers. As a result of decentralized funding, research efforts are spread out over a range of technologies which take a long time to get validated and translated to the clinic. Partnership over similar groups of technologies and efforts to test the same technologies while overcoming barriers posed to technology validation in different areas around the globe may benefit the clinical/medical, research and industry community globally.

Tweaking the conjugation effects on a pair of new triazene compounds by targeted deprotonation: a spectroscopic and theoretical overview.

CONTEXT: Triazene compounds (-NNN(H)-) exhibit versatility in biological, physical, and chemical applications. In their anionic form (-NNN-)(-), they can act as coordinating sites for metals, forming metallic complexes. In this study, two new isomeric triazene compounds with meta- and para-substituents in their neutral and anionic forms were investigated. A combination of detailed experimental spectroscopic characterization and computational chemistry analyses were employed. The new compounds, 1-(2-benzamide)-3-(3-nitrophenyl) triazene (m-TZN) and 1-(2-benzamide)-3-(4-nitrophenyl) triazene (p-TZN), were compared to 1,3-diphenyltriazene (dph-TZN) to understand the effects of functionalization and targeted triazene deprotonation. The anionic forms are stable, and our investigation suggests that these new compounds are suitable tridentate ligands that can act as chelating agents for metallic cations in stable complexes, similar to those found in vitamin B12. METHODS: The absorption, vibrational, and electronic properties of the newly synthesized triazene compounds were extensively characterized using FT-IR/FT-Raman and UV-Vis spectroscopy. Their distinct molecular properties, intramolecular hydrogen bond effects, stability, and electronic transitions were investigated using the ORCA software. These analyses involved DFT and TD-DFT calculations at the ωB97X-D3/Def2-TZVP level of theory with THF CPCM implicit solvation to determine the molecular topology and electronic structure. The advanced STEOM-DLPNO-CCSD method for excited states was employed, enabling an in-depth analysis of ground and excited-state chemistry, accounting for precise electronic correlation and solvation effects. Explicit THF solvation was tested on the full TD-DFT ωB97X-D3/Def2-TZVP level and using ONIOM on the STEOM calculation. Reactivity was studied using Fukui functions, and action as chelating agents was investigated using GFN-xTB2 and DFT.

FT-IR spectroscopy analysis of HF-treated mineral soils, a direct approach for deciphering organo-mineral interactions.

Soil organic matter (SOM) constitutes roughly 60% organic carbon (OC) and therefore plays a crucial role in regulating global climate. However, our understanding of the long-term dynamics of the soil carbon pool remains constrained by limitations in analytical approaches capable of providing high resolution molecular-level information from arguably the most complex biomaterial on the planet. In this contribution, we combine hydrofluoric acid (HF) treatment with a spectroscopic approach as a strategy to provide refined molecular-level information on the interactions between soil minerals and SOM. Critically, we have not seen the use of this combined approach anywhere in the literature and strongly believe that it could allow us to improve our overall understanding to the mechanisms and pathways that regulate SOM transformation. Results clearly illustrates which organic structures are preferentially adsorbed to soil minerals and are likely to be protected from degradation, as well as spatial co-variations of SOM with specific mineral components such as Al3+, Si4+ and dibasic cations such as Mg2+as a function of their importance in the interaction process.•Soil samples were collected from different land-use types in rural farming communities of the Upper Rio Grande Valley.•Samples were oven dried, disaggregated, sieved, treated with 10% HF, rinsed and oven dried.•Oven dried samples were subjected to Mid-infrared (4000-400 cm-1), XRD and ED-XRF analyses.

Effect of ß - hydroxy - γ -aminophosphonate (ß - HPC) on the hydrolytic activity of Nocardia brasiliensis as determined by FT-IR spectrometry.

The use of immunomodulatory and metabolic modulating drugs has been considered a better strategy to improve the efficacy of conventional treatments against pathogens and metabolic diseases. L-carnitine is relevant in fatty acid metabolism and energy production by ß-oxidation, but it also has a beneficial therapeutic immunomodulatory effect. The ß-hydroxy-γ-aminophosphonate (ß-HPC) was developed, synthesized and studied in different pathologies as a more soluble and stable analog than L-carnitine, which has been studied in bacterial physiology and metabolism; therefore, we set out to investigate the direct effect of ß-HPC on the metabolism of N. brasiliensis, which causes actinomycetoma in Mexico and is underdiagnosed. To analyze the effect of ß-HPC on the metabolic capacity of the bacterium for the hydrolysis of substrate casein, L-tyrosine, egg yolk, and tween 80, Fourier transform infrared spectroscopy (FT-IR) was employed. It was found that ß-HPC increases the metabolic activity of N. brasiliensis associated with increased growth and increased hydrolysis of the substrates tested. By the effect of ß-HPC, it was observed that, in the hydrolysis of L-tyrosine, the aromatic ring and functional groups were degraded. At 1515 cm-1, any distinctive signal or peak for this amino acid was missing, almost disappearing at 839, 720, 647, and 550 cm-1. In casein, hydrolysis is enhanced in the substrate, which is evident by the presence of NH, OH, amide, and CO. In casein, hydrolysis is enhanced in the substrate, which is evident by the presence of NH, OH, amide, COO, and P = O signals, characteristic of amino acids, in addition to the increase of the amide I and II bands. In Tween 80 the H-C = and C = C signals disappear and the ether signals are concentrated, it was distinguished by the intense band at 1100 cm-1. Egg yolk showed a large accumulation of phosphate groups at 1071 cm-1, where phosvitin is located. FT-IR has served to demonstrate that ß-HPC is a hydrolysis enhancer. Furthermore, by obtaining the spectrum of N. brasiliensis, we intend to use it as a quick comparison tool with other spectra related to actinobacteria. Eventually, FT-IR may serve as a species identification option.

Potential Role of Fourier Transform Infrared Spectroscopy as a Screening Approach for Breast Cancer.

Breast cancer is a heterogeneous disease, and its spread involves a succession of clinical and pathological stages. Screening is predominantly based on mammography, which has critical limitations related to the effectiveness and production of false-positive or false-negative results, generating discomfort and low adherence. In this context, infrared with attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy emerges as a non-destructive sample tool, which is non-invasive, label-free, has a low operating-cost, and requires only a small amount of sample, including liquid plasma samples. We sought to evaluate the clinical applicability of ATR FT-IR in breast cancer screening. ATR FT-IR spectroscopy through its highest potential spectral biomarker could distinguish, by liquid plasma biopsy, breast cancer patients and healthy controls, obtaining a sensitivity of 97%, specificity of 93%, a receiver operating characteristic ROC curve of 97%, and a prediction accuracy of 94%. The main variance between the groups was mainly in the band 1511 cm-1 of the control group, 1502 and 1515 cm-1 of the cancer group, which are the peaks of the bands referring to proteins and amide II. ATR FT-IR spectroscopy has demonstrated to be a promising tool for breast cancer screening, given its time efficiency, cost of approach, and its high ability to distinguish between the liquid plasma samples of breast cancer patients and healthy controls.

Fourier Transform Infrared Spectroscopy (FT-IR) of Pseudomonas aeruginosa post photodynamic therapy with Curcumin in vitro.

Alternative therapies against pathogens are under intense investigation because of their increasing resistance to antibiotics. Photodynamic therapy (PDT) is one such alternative that has shown promising results. However, for the widespread use of PDT, it is essential to decipher underlying mechanisms, so as to improve PDT's therapeutic applications. Because of this, we have studied biochemical changes in pathogen Pseudomonas aeruginosa, a medically important bacteria that has developed antibiotic resistance, after PDT with curcumin photosensitizer. Results show a drastic decrease in α-helix protein and increased disordered and ß-sheet secondary structure proteins in P. Aeruginosa post-PDT compared to control. Interestingly, these biochemical changes differ from PDT of pathogens Leishmania braziliensis and Leishmania major with photosensitizer methylene blue. This observation underlines the need for extensive studies on PDT of different pathogens to understand mechanisms of action and develop better PDT strategies.

The use of microplastics as a reliable chronological marker of the Anthropocene onset in Southeastern South America.

Microplastics (MPs) represent an emergent contamination marker. For this reason, we analyzed the vertical distribution of MPs in six sediment cores retrieved from the Patos-Mirim System, the world's largest coastal lagoonal system. The sediment cores span from mid Holocene to present times according to both radiocarbon and lead dating and are located close to both urban/industrial and agricultural regions. We identified a basal pre-disturbance MP-free zone in all cores and an uppermost contaminated 70-cm-zone, where a general increasing trend in MPs content resembling the human anthropization process was recorded. The predominant format of MPs was fiber, followed by fragments. The most commonly identified polymers were rayon, PVC, acrylate, polycarbonate and cellophane. Urban/industrial and agricultural activities were shown as clear sources of MPs, leading to comparable MPs concentration values in the sediment cores. Thus, MPs are collectively a reliable indicator of the Anthropocene onset, and in the Patos-Mirim System the most appropriate chronology can be assigned to the beginning of 1970s, matching the intensification of anthropogenic activities in the area.

Agave Fructans in Oaxaca's Emblematic Specimens: Agave angustifolia Haw. and Agave potatorum Zucc.

Despite the recognition of Agave tequilana Weber var. Azul as raw material for producing tequila and obtaining prebiotics, there are other highly relevant Agave species in Mexico. Oaxaca contains a startlingly diverse range of Agave species; Agave angustifolia Haw. and Agave potatorum Zucc. are two classic specimens with great commercial potential. In this study, we examined the fructan fluctuation in these two species during their lifetime in the field (from 1 to 6 years old). First, we analyzed their morphological diversity based on vegetative characteristics. Subsequently, fructan extracts were analyzed by TLC, FT-IR, and HPAEC-PAD to identify carbohydrates. Multivariate analyses of the morphological parameters indicated a morphological divergence between the two species. Furthermore, we found that the concentration of simple carbohydrates and fructans, as well as the fructan DP, changed during plant development. Glucose, fructose, and fructooligosaccharides (FOS) were more abundant in A. potatorum, while A. angustifolia showed a greater amount of sucrose and fructans with a high DP. Fructan DP heatmaps were constructed using HPAEC-PAD profiles-the heatmaps were very helpful for establishing an easy correlation between age and the carbohydrate types present in the fructan extracts. This study is an important contribution to the agave fructan knowledge of the Mexican agave diversity.

Investigation of the influence of clathrate hydrate crystals on the structuring of homeopathic high dilutions

High dilutions (HD) of drugs used in homeopathy are mostly too dilute to contain original drug molecules. But evidences support their specific biological and therapeutic effects. The reason behind this is thought to be water structure characteristic of the original drug. Spectroscopic studies indicate that the specific water structure in HDs can be resolved into free water molecules, hydrogen bonding strength of water hydroxyl, number of hydrogen bonds and clathrate hydrate crystals (CHC). HDs are prepared in EtOH water solution by serial dilution and mechanical agitation, and are called potencies. The objective of the present study is to further confirm the presence of CHCs in the two potencies of three drugs. Electronic spectra of the HDs of the potencies indicate two broad peaks and marked difference in intensities of absorption. Furior Transform Infrared (FT-IR) spectra of the test potencies and their control show difference in intensity shift and contour shape of OH stretching and bending bands. All the experimental data indicate the presence of CHCs in varying amounts in the test potencies.

Novel techniques for drug loading quantification in mesoporous SBA-15 using chemometric-assisted UV and FT-IR data.

Albendazole is a crystalline drug that is poorly soluble in water, thus the dissolution rate in gastrointestinal fluids is limited. Mesoporous materials loaded with poorly water-soluble drugs become an interesting strategy to increase their solubility/dissolution rate as the drug state changes from crystalline to amorphous. In order to determine the drug loading content into mesoporous materials analytical methods such as elemental analysis, UV and HPLC are commonly used. However, elemental analysis and HPLC are destructive and relatively expensive. In addition, UV is time consuming. Moreover, UV and HPLC require the drug release from the mesoporous material before the quantification step. Therefore, the aim of this work was to develop quantifications techniques based on chemometric models combined with UV and FT-IR spectra without needing the drug release from the mesoporous material. Partial least squares regression (PLSR) was used as chemometric regression method. Albendazole content in the SBA-15 powders was first quantified by elemental analysis as reference measurement for multivariate calibration. The excellent drug loading predictions prove that robust calibration models can be obtained from both techniques (i.e., 0.999 and 0.998 adjusted correlation coefficient for UV and FT-IR, respectively). Additionally, the adjusted correlation coefficients determined from the validation models for UV and FT-IR are 0.963 and 0.930, respectively. It is important to highlight that the prediction adjustment of the FT-IR model (root-mean-square error of prediction=2.196%) presented lower error than the UV model (root-mean-square error of prediction=3.553%). Therefore, this development contributes to improve the overall time and cost of drug loading determination into mesoporous materials.

Germinated chickpea-maize extrudates with high protein content and reduced starch digestibility.

The objective of this study was to produce maize extrudates supplemented with germinated chickpea flour to increase the contents of resistant starch (RS) and protein. Six extrudates were formulated using maize grits (ME), germinated chickpea flour (GCE) and different blends of maize and 10%, 20%, 30%, or 40% of germinated chickpea flour (MGCE-10, MGCE-20, MGCE-30, or MGCE-40). Increase of RS was observed in the defatted samples due to germinated chickpea flour addition. In the nondefatted samples, the highest content of RS was observed in GCE followed by ME and the different MGCE. Interaction between fat, starch, and protein by improved intramolecular association was assessed by Fourier transform- infrared spectroscopy (FTIR). Amylose-lipid complexes in nondefatted samples increased the content of RS in comparison to defatted samples. The highest expansion index was obtained in MGCE-30 and MGCE-40. ME had the highest hardness and crispiness. Germinated chickpea flour increased the water absorption index (WAI), but reduced water solubility index (WSI) when it was combined with maize grits to produce extrudates. The in vitro protein digestibility (IVPD) was higher in the GCE and MGCE with more than 20% of germinated chickpea flour compared to ME. MGCE-20 and MGCE-30 showed the highest acceptability of the supplemented extrudates with 50% more protein than ME, a similar IVPD to that of GCE, and good functional characteristics. PRACTICAL APPLICATION: Combining maize and germinated chickpea flour is a good strategy to have a controlled digestibility of starch and increase the plant based protein content in healthier snacks.

Influence of surface roughness on the spectroscopic characterization of jadeite and greenstones archaeological artifacts: The axe-god pendants case study.

Spectroscopic techniques are commonly used for the non-invasive characterization of the molecular and elemental composition of greenstone archaeological artifacts. The surface topography of these artifacts is greatly influenced by the crafting and polishing techniques employed in their making. However, no study of the effect of roughness on spectra has ever been reported for greenstones. Here we show that infrared, Raman and X-ray fluorescence spectra are strongly influenced by the sample's surface roughness. Spectral changes were seen in both geological (45 jadeite and green stone samples) and archaeological artifacts (12 axe-God pendants); in every case, the variations were more prominent in samples with higher arithmetic average height values. The results show that these changes can affect the interpretation of the spectroscopic data and limit the efficacy of statistical analysis. Consequently, any spectroscopic characterization of this type of samples should be performed preferably in areas with lower values of roughness parameters. Overall, FT-IR appears to be the most advantageous technique to distinguish the differences in mineral composition of this type of samples during in situ studies; its performance was evaluated with an innovative statistical analysis that treats the spectra as functional data. Additionally, the results suggest that confocal Raman spectroscopy is an ideal complementary technique that enhances mineralogical characterization, nevertheless its applicability is limited to laboratory settings.

Characterization of Capsicum oleoresin microparticles and in vivo evaluation of short-term capsaicin intake.

Gum arabic, modified corn starch (EMCAP), modified malt (MALT), either blended or isolated, were assessed as encapsulating agents for Capsicum oleoresin. Capsicum oleoresin microparticles were obtained by spray drying and analysed for physicochemical properties and in vivo. Obtained powders were adequate for storage, given their low water activity (<0.150), hygroscopicity (<11.43 g/100 g), moisture (<4.76%) and high glass transition temperature (<98.3 °C). FT-IR analysis concluded that carbohydrates matrices were loaded after spray drying, with peaks around 2850 cm -1 for aromatic compounds, and bands around 1760 cm-1, pointing to the presence of capsaicin inside the microparticles. All formulations exhibited high antioxidant activity, low contact angles and great solubility in water. Any adverse effect was observed in the experimental assay, neither change on the level of hepatic aminotransferases. The intake of a High-Fat Diet (HFD) supplemented with Capsicum oleoresin microparticles decreased weight gain when compared to the HFD control.

High dilutions of a drug of COVID-19 origin show difference in ranks

High dilutions (HDs) of drugs, used in Homeopathy, are prepared in aqueous EtOH (ethanol) through serial dilution accompanying mechanical agitation or succussion, and are called potencies. The potencies from the rank 12 onwards are too dilute to contain any original drug molecules. Do the potency ranks show any difference from each other? Do serial dilution and succussion contribute to the difference in potency ranks? This study aims to address these two questions. The throat swab of a Covid-19 patient was preserved and diluted with aqueous EtOH 90% to prepare the mother tincture (MT) and five different potencies of Covid named Covidinum. These potencies and their solvent media were analysed by electronic and vibrational spectroscopy. Charge transfer (CT) and proton transfer interactions occur during preparation of the potencies. The FT-IR spectra of all the test samples after normalization show difference from each other with respect to O-H stretching and bending (v2) bands. Serial dilution and succussion contribute to the observed difference in ranks and CT interactions.

One- and two-dimensional PbII compounds resulting from reaction of PbBr2 and Pb(SCN)2 with pyrimidine-2-thione.

Pyrimidine-2-thione (HSpym) reacts with lead(II) thiocyanate and lead(II) bromide in N,N-dimethylformamide (DMF) to form poly[(µ-isothiocyanato-κ2N:S)(µ4-pyrimidine-2-thiolato-κ6N1,S:S:S:S,N3)lead(II)], [Pb(C4H3N2S)(NCS)]n or [Pb(Spym)(NCS)]n, (I), and the polymeric one-dimensional (1D) compound catena-poly[[µ4-bromido-di-µ-bromido-(µ-pyrimidine-2-thiolato-κ3N1,S:S)(µ-pyrimidine-2-thione-κ3N1,S:S)dilead(II)] N,N-dimethylformamide monosolvate], {[Pb2Br3(C4H3N2S)(C4H4N2S)]·C3H7NO}n or {[Pb2Br3(Spym)(HSpym)]·DMF}n, (IIa), respectively. Poly[µ4-bromido-di-µ3-bromido-(µ-pyrimidine-2-thiolato-κ3N1,S:S)(µ-pyrimidine-2-thione-κ3N1,S:S)dilead(II)], [Pb2Br3(C4H3N2S)(C4H4N2S)]n or [Pb2Br3(Spym)(HSpym)]n, (IIb), could be obtained as a mixture with (IIa) when using a lesser amount of solvent. In the crystal structures of the pseudohalide/halide PbII stable compounds, coordination of anionic and neutral HSpym has been observed. Both Spym- (in the thiolate tautomeric form) and NCS- ligands were responsible for the two-dimensional (2D) arrangement in (I). The Br- ligands establish the 1D polymeric arrangement in (IIa). Eight-coordinated metal centres have been observed in both compounds, when considering the Pb...S and Pb...Br interactions. Both compounds were characterized by FT-IR and diffuse reflectance spectroscopies, as well as by powder X-ray diffraction. Compound (IIa) and its desolvated version (IIb) represent the first structurally characterized PbII compounds containing neutral HSpym and anionic Spym- ligands. After a prolonged time in solution, (IIa) is converted to another compound due to complete deprotonation of HSpym. The structural characterization of (I) and (II) suggests HSpym as a good candidate for the removal of PbII ions from solutions containing thiocyanate or bromide ions.

Investigación de la aplicación del niosoma como nanoportador de extracto de salvia (Salvia officinalis L. ) por espectroscopia y quimiometría / Investigation the application of niosome as a nanocarrier for sage (Salvia officinalis L. ) extract by spectroscopy and chemometrics

Objetivo: Investigar la aplicación del niosoma como nanoportador de extracto de salvia (Salvia officinalis L.) mediante espectroscopia y quimiometría. Material y método: En este estudio, se prepararon nanopartículas de niosoma que contienen colesterol y sin colesterol mediante el método de hidratación de película fina. El extracto etanólico de salvia se extrajo mediante microondas y se cargó dentro de las nanopartículas de niosoma. El tamaño de las nanopartículas se determinó mediante microscopía electrónica de barrido de imágenes de campo (FE-SEM). El potencial zeta de los niosomas se determinó mediante dispersión dinámica de luz (DLS). Para investigar el tipo de interacciones entre los tensioactivos y el colesterol utilizados en la estructura del niosoma, se utilizó la espectroscopia infrarroja por transformada de Fourier (FT-IR). Se investigó la liberación de fármaco durante 5 días consecutivos en tampón fosfato salina (PBS) 0/01 M con pH = 7,4 a T = 37ºC. Resultados: El potencial zeta de los niosomas con colesterol y sin colesterol fue de -24 / 1 y -15 / 6 mv. La capacidad de carga del fármaco en el rango de concentración (1-3% p / p de niosum) para ambos tipos de niosoma estuvo entre 61% y 93%. Conclusión: Estos resultados muestran que la tasa de liberación de niosma con colesterol es significativamente más regular y más baja que la de niosoma sin colesterol. En general, se puede concluir que el niosoma puede ser un nanoportador adecuado para el suministro de extracto hidrófilo de la salvia.

Objetive:Investigation the application of niosome as a nanocarrier for sage (Salvia officinalis L.) extract by spectroscopy and chemometrics. In this Material and Method:study,niosomenanoparticlescontainingcholesterolandwithoutcholesterolwere prepared by thin film hydration method. Ethanol extract of sage was extracted by microwave and loaded inside the niosome nanoparticles. The size of the nanoparticles was determined by field imaging scanning electron microscopy (FE-SEM). The zeta potential of the niosomes was determined by Dynamic light scattering (DLS). to investigate the type of interactions between surfactants and cholesterol used in the niosome structure, Fourier transform infrared spectroscopy (FT-IR) was used. Drug release was investigated for 5 consecutive days in phosphate buffer salin (PBS) 0/01 M with pH=7.4 at T=370C. The zeta potential of the niosomes with cholesterol and without Results:cholesterol was -24/1&-15/6 mv . The loading capacity of the drug in the concentration range (1-3% w / w of niosum) for both types of niosome was between 61% and 93%. Conclusion:This results show that the release rate of niosme with cholesterol is significantly more regular and lower than of niosome without cholesterol. In general, it can be concluded that niosome can be a suitable nano-carrier for delivery of hydrophilic extract of the sage.