Brassinosteroids are an important family of plant hormones involved in various processes of plant growth and development. They also play a crucial role in plant stress responses, improving tolerance to abiotic factors such as temperature extremes, drought, and salinity, and contributing to resistance against biotic stresses. This work describes the synthesis and full structural characterization of three new 23,24-dinorcholane-type brassinosteroid analogs bearing benzoate groups at C-22 and substituted with fluorine and chlorine atoms, while maintaining the structural features of the A/B rings present in active natural brassinosteroids such as castasterone. The synthesis was achieved in two steps: an esterification reaction with acyl chlorides, followed by a stereospecific Sharpless dihydroxylation. Both reactions proceeded with good yields.
Petrochemical hydrocarbons are toxic, persistent environmental pollutants that pose serious ecological and health risks. Bioremediation using microbial enzymes offers a sustainable and effective alternative for their degradation. This study presents an in-silico analysis of Factor-independent urate hydroxylase from Bacillus subtilis to evaluate its potential in hydrocarbon biodegradation. The enzyme's physicochemical properties revealed moderate stability and hydrophilicity, favoring activity in aqueous environments. Post-translational modification analysis predicted multiple regulatory sites, suggesting adaptability to environmental conditions. Structural modeling and validation confirmed a high-quality 3D structure suitable for molecular docking. Nine petrochemical hydrocarbons were selected for virtual screening. Docking results showed strong binding affinities, particularly with 1,2,3,4,7,8-hexachlorodibenzofuran (-7.4 kcal/mol), crystal violet (-7.3 kcal/mol), and dioxins, with key residues (e.g., ARG207, VAL211, PHE289) mediating interactions. Toxicity predictions indicated high neurotoxicity and hepatotoxicity among the compounds, highlighting the urgency for effective remediation tools. The study concludes that Factor-independent urate hydroxylase demonstrates promising interaction with harmful hydrocarbons and play a key role in microbial bioremediation. These computational findings provide a foundation for future experimental validation and potential application in cleaning up petrochemical-contaminated environments.
Due to contradictory experimental results obtained in the determination of impurities by washing in algae of the genus Gracilaria, compared to sieving and manual separation, the methodological basis described by the Instituto Nacional de Normalizaci & oacute;n (INN) to the normative NCh0765 was analyzed. Our results show that for the same sample, 2.4 +/- 0.9% of impurities were determined by sieving and manual separation analysis, while 31.9 +/- 2.9% was detected by the washing methodology. This difference would be mainly due to the exudation of organic compounds, principally the phycocolloid Agar, during the washing procedure which loss can range from 10-20%. The differences in impurities according to the methodology could have consequences for the export restrictions of algal resources due to current Chilean regulations and buyers' demands.
Industrial activities, inadequate waste disposal, and poor control of discharges generated by mining and domestic activities are the primary causes of water pollution with numerous chemical substances, including heavy metals. Several methods have been proposed for removing metals from water, such as precipitation, membrane separation, ion exchange, solid phase extraction, flocculation, and others to address this issue. The metal bio-adsorption using biomass from crops is an alternative that has shown excellent results in recent years. In this work, We studied the bio-adsorption of five metals present in water on biomass from ground banana peel. We evaluated the retention capacity of copper, lead, cadmium, zinc, and mercury on the bio-adsorbent material subjected to acid hydrolysis, basic hydrolysis, and the material without treatment. The material with the best-obtained results was selected to execute a 2(k) experimental design. The factors were pH, adsorbent dose, and contact time between the adsorbent and the metal ion solution. We used the anodic stripping square wave voltammetry for the mercury determination and adsorptive stripping by square wave voltammetry for copper, zinc, cadmium, and lead quantification. The maximum adsorption capacity ranged from 20 to 30 mg for each gram of material used for the five studied metals. The optimum pH value for mercury was 3.0 while for copper, zinc, cadmium, and lead was 5.0. The optimum contact time was 15 minutes. Mercury is captured differently from the other metals. The materials were characterized using the techniques of Infrared Spectroscopy, Scanning Electron Microscopy, energy-dispersive X-ray Spectroscopy, and thermogravimetric analysis.
In search of new organometallic-1,2,3-triazoles, this work describes a convenient synthesis to obtain ferrocenyl and cyrhetrenyl 1,2,3-triazole derivatives containing aminomethyl fragment. On this regard, the compounds of general formulae [(g5-C5H4-(1)-1,2,3-triazole-(4)-CH2NH2)MLn] [where MLn =Fe(eta(5)-C5H5) (1a), Re(CO)3 (1b)] were obtained via tert-butoxycarbonyl (BOC) deprotection under acid conditions of the corresponding protected triazoles [(eta(5)-C5H4-(1)-1,2,3-triazole-(4)-CH2NH(C=O)OC(CH3)3)MLn] with MLn = Fe(eta(5)-C5H5) (P1), Re(CO)3 (P2)], with good yields (89-95%). In addition, the reactivity of aminomethyl compounds (1a-b) was evaluated in condensation reactions with 4-(1H-1,2,4-triazol-1-yl)benzaldehyde, isolated the Schiff bases [(eta(5)-C5H4-(1)-1,2,3-triazole-(4)-CH2N=CH-(1)-C6H4-(4)-1H-1,2,4-triazole)MLn] (2a-b) [where MLn =Fe(eta(5)-C5H5) (2a), Re(CO)3 (2b)] under mild reactions conditions. All compounds were characterized by FT-IR, 1H NMR spectroscopy and elemental analysis. Moreover, the molecular structure of 2a was determined by single-crystal X-ray diffraction.
The removal of cadmium ions (Cd2+) from aqueous media was systematically investigated using two commercial chelating ion-exchange resins: Puromet MTS9300, functionalized with iminodiacetic acid groups, and Puromet MTS9500, containing aminophosphonic acid groups. The effects of resin dosage, solution pH, temperature, and contact time on Cd2+ removal were evaluated through batch experiments. The results revealed that both resins exhibited high Cd2+ removal efficiencies, achieving complete removal under optimized conditions. Ion exchange performance was strongly influenced by solution pH, as both resins possess weakly acidic functional groups that undergo protonation in acidic media, thereby reducing Cd(2+ )uptake. Kinetic data fitted well to the pseudo-second-order model. The equilibrium data correlated closely with the Langmuir model, with maximum exchange capacities of 201.33 mg/g for MTS9300 and 191.44 mg/g for MTS9500 at 30 degrees C. Thermodynamic analysis confirmed the spontaneous nature of Cd2+ removal for both resins, with Delta G degrees values ranging from-26.37 to-30.09 kJ/mol. MTS9500 exhibited an endothermic exchange process, while MTS9300 displayed exothermic behaviour. Regeneration experiments demonstrated excellent reusability with both HCl and H2SO4 solutions, maintaining nearly 100% regeneration efficiency. These findings highlight the high potential of MTS9300 and MTS9500 resins as efficient, regenerable materials for the removal of cadmium ions from contaminated water.
Carilite oligomers may be easily functionalized with primary amines, such as furfuryl amine (Fu), through the Paal-Knorr reaction, converting polymeric 1,4-diketone groups into N-substituted pyrroles with pendant furanyl groups. The resulting oligomers allow producing polymer and polymer composites materials by adding a bifunctional dienophile, leading to reversible crosslinking through the Diels-Alder reaction. The extent of conversion in the Paal Knorr reaction should determine the amount of polymer chains showing two or more furanyl dienes, condition necessary for extended crosslinking. Thus, the objectives of this work consisted of i) to characterize a sample of Carilite oligomers (PK30), ii) to calculate the probabilistic distribution of the N-substituted pyrroles in the oligomer chains as a function of the expected diketone conversion, and iii) to compare the prediction with experimental data of a sample obtained after reaction between PK30 and Fu aiming at 20 % of conversion (PK(30)Fu(18)). Methods: GPC, NMR, and ESI mass spectroscopies are used for the analysis of the polymers. Poisson distribution and one-dimensional hard-dimer exclusion models have been applied for probabilistic calculations. Results: Carilite oligomers are a polydisperse mixture where the most abundant molecules present 1 - 15 ketone moieties. After functionalization, the most abundant derivatized molecules consist of oligomers functionalized with only one Fu residue. Good matching with the predictions were found. Conclusions: The use of NMR combined with ESI-mass spectroscopy has served to understand the molecular structure of Carilite oligomers and their Fu-functionalized derivatives. This allows determining refined molecular weights that allow calculating effective conversion aimed and, in combination with the probabilistic predictions, obtaining insights of the expected Fu content per chain, contributing to the improvement of design, handling, and control strategies for reversibly crosslinked polymer matrices.
Royal jelly (RJ) is a bee-derived secretion rich in 10-hydroxy-2-decenoic acid (10-HDA), a fatty acid responsible for its antimicrobial, antioxidant, and neuroprotective effects. However, 10-HDA is sensitive to heat and digestive conditions, which limits its stability in functional formulations. This study investigated the thermal degradation kinetics and in vitro gastrointestinal stability of 10-HDA in pure RJ and its mixtures with honey, pollen, and propolis. Samples were thermally treated at 30, 50, 70, and 90 degrees C for 0-20 minutes. LC-MS/MS analysis showed that in pure RJ, 10-HDA content decreased from 1.905 g/100 g to 0.149 g/100 g at 90 degrees C, following first-order kinetics with an activation energy of 29,27. In contrast, all mixtures followed zero-order kinetics, suggesting that matrix components provided thermal protection. Calculated activation energies and Q10 values confirmed the compound's thermal sensitivity. Gastrointestinal stability was assessed using simulated salivary, gastric, and intestinal fluids. The highest degradation occurred in the oral and intestinal phases. The soft candy formulation showed the highest intestinal loss (57.14%), while the RJ-honey-propolis mixture retained the most 10-HDA (31.19 g/100 g). Propolis-containing formulations consistently performed better. In conclusion, 10-HDA degradation is strongly affected by temperature, digestion time, and formulation composition. Propolis and honey enhanced 10-HDA retention, especially under digestive conditions. These findings offer practical insights for developing heat-stable and bioaccessible RJ-based functional products for food, supplement, and apitherapy applications.
Lippia alba is a medicinal plant commonly used in Cuba and the Caribbean for thedevelopment of herbal formulations against skin inflammatory illnesses thus generating residual biomass whose environmental impact remains unassessed. This study aimed to evaluate the ecotoxicological effects of L. alba residues and their aqueous extract fractions on key terrestrial ecosystem organisms. Soil microbial community activity was analyzed through CO2 emissions and ammonium (NH4+) quantification, as well as degradation and toxicity tests on earthworms (Eisenia andrei). Phytotoxicity was assessed using Phaseolus vulgaris seeds to determine germination rates and radicle length. Results showed that CO2 emissions increased in the groups treated with L. alba residues, suggesting enhanced microbial respiration, whereas NH4+ levels remained unchanged across all treatments. Seed germination rates remained above 75% at all tested extract concentrations except at 75%. Radicle length, however, was significantly reduced at higher concentrations (75% and 100%).No toxic effects were observed in E. andrei (earthworms). These findings indicate that L. alba residues are not toxic to soil macro- or microfauna and may contribute to soil organic enrichment, although higher concentrations of aqueous extracts exhibit moderate phytotoxic effects. The study supports the potential incorporation of L. alba waste into sustainable soil management strategies, such as composting and vermicomposting.
The study aims to investigate the phenolic compounds, antioxidant-enzyme inhibitory activities, and cytotoxic effects of the flavonoid subgroups and phenolic acid extracts of the Teucrium chamaedrys ssp chamaedrys (TCC), T. chamaedrys ssp lydium (TCL), T. polium (TP), endemic T. alyssifolium (TA), T. kotschyanum (TK) from T & uuml;rkiye. Among the phenolics determined, phenolic acids were found to be in the highest concentration, particularly caffeic, p-coumaric, and t-cinnamic acids. In term of antioxidant activity, the best IC50 values of 1,1-diphenyl-2-picrylhydrazyl (23.21 +/- 0.78 mu g/mL), hydroxyl (HO center dot) (1.01 +/- 0.01 mu g/mL), nitric oxide scavenging (12.28 +/- 0.91 mu g/mL) and metal chelating (20.10 +/- 0.66 mu g/mL) were determined in TP, TCL, TK, and TA, respectively. Additionally, TCL has a 5.05-times higher quenching capacity of HO center dot compared to butylated-hydroxytoluene. The best acetylcholinesterase and tyrosinase inhibitions were detected in TK and TCC, respectively. While the cytotoxic properties of these extracts against HepG2, OE-33, HeLa, ACC-201, and MCF-7 cancer cells were detected, more extensive effect was observed against HepG2 in TCC, TP, TA, and TCL. According to the results, the richness of Teucrium species in phenolic compounds, the importance of their antioxidant-enzyme inhibitory properties and their cytotoxic effects make their potential as natural component sources in food and medical come to the fore.
Pollution load of water from urban networks is very notable, especially in large towns and industrial sites. In this context, the search for good solutions for this problem is highly important in current studies. Many chemical, physical and biological treatment methods have been developed. However, each of these methods has specific advantages. Therefore, the search for other solutions remains an exploited area. Among these new techniques to be developed are electrochemical methods. They present significant techniques in the elimination of organic and minerals pollutants; as well as, biological contaminants. In the present work, we have contributed to the design of an industrial electrochemical plant for the treatment of different pollutants based in previous studies. Firstly: we carried out an exhaustive study on the electrochemical processes used in the elimination of different pollutants. We approved a simulation to design a simple form of an electrochemical reactor. Furthermore, we regrouped the necessary information on electrode materials and experimentally confirmed the use of a general economic electrode. This investigation allowed constructing an efficient database to design an industrial scale electrochemical processing reactor, from which we used economic and efficient materials.
This research explores the use of natural polymers as a sustainable alternative to synthetic polymers for developing patches with diverse applications. We created a bilayer patch utilizing sodium alginate (SA) and carboxymethylcellulose (CMC) as natural polymers. Each layer contained an active ingredient: cannabidiol (CBD) in the SA layer and activated carbon (AC) in the CMC layer. CBD and AC were chosen due to their potential as natural treatments for skin conditions like acne. The SA layer was formed using ionic gelation, while the CMC layer was created through compression, both considered eco-friendly methods. The mechanical properties of the patch were evaluated, showing the SA layer had a breaking strength of 11.617 N f 0.2839, and the CMC layer had a strength of 12.36 N f 0.1300. Both layers exhibited effective swelling capacity for exudate containment, with swelling percentages of 75.78% f 1.120 for SA and 76.84% f To quantify the amount of CBD in the patch, high-performance liquid chromatography was employed, optimizing separation conditions based on the column used. The analysis revealed that the SA layer contained 2.08 mg of CBD. The analytical method proved accurate for quantifying CBD in various patch samples. In summary, the developed bilayer patch, using natural materials and sustainable techniques, presents a viable alternative to conventional acne treatments. It demonstrates suitable mechanical properties and effective CBD release, aligning with greener and more sustainable practices.
The global diabetes epidemic requires safer therapeutic alternatives to conventional alpha-glucosidase and alpha-amylase inhibitors, which cause significant gastrointestinal side effects. Natural products provide structurally diverse scaffolds for antidiabetic drug discovery. This study evaluated the dual enzyme inhibitory potential of Hyoscyamus niger L. (black henbane) through integrated experimental and computational approaches. Methanolic extracts of H. niger seeds were assessed for alpha glucosidase and alpha-amylase inhibitory activities using enzymatic assays. H. niger extract exhibited superior inhibitory activity compared to acarbose, with IC50 values of 35.85 +/- 5 mu g/mL (alpha-glucosidase) and 44.56 +/- 5 mu g/mL (alpha-amylase) versus acarbose's IC50 values of 141.0 +/- 5 mu g/mL and 131.0 +/- 10 mu g/mL, respectively. 100 phytochemicals were subjected to molecular docking against target enzymes (PDB IDs: 3L4Y and 3BAJ). Lead compounds were evaluated for drug-likeness using Lipinski's Rule of Five and comprehensive ADMET profiling. Molecular docking identified one coumarinolignan called cleomiscosin B as the most promising lead compound, demonstrating excellent binding affinities (-8.1 kcal/mol for both enzymes), complete Lipinski compliance, and favorable safety profiles with no AMES toxicity. Inspite to pongamoside D was also founded as the top dual-target inhibitor with binding affinities of-9.3 kcal/mol (alpha-amylase) and-8.3 kcal/mol (alpha glucosidase). However, ADMET analysis suggested that pongamoside D violated Lipinski's rule and showed positive AMES toxicity with possible carcinogenicity risk. This study establishes H. niger as a valuable source of novel dual-target antidiabetic compounds, with cleomiscosin B representing a promising alternative to synthetic inhibitors.
Analytical chemistry is pivotal in the progression of bioanalysis, facilitating precise quantification and characterization ofbiomolecules within intricate biological environments. This chapter offers an outline of the basic principles of analytical chemistry employed in bioanalytical techniques. It covers key topics including sample preparation techniques, separation methods such as chromatography and electrophoresis, detection techniques including mass spectrometry and spectroscopy, and data analysis strategies. In addition, advancements in instrumentation, miniaturization, and automation are discussed, highlighting their impact on improving the sensitivity, selectivity, and throughput of bioanalytical workflows. Overall, this review emphasizes the pivotal role of analytical chemistry in driving innovations and advancements in bioanalysis.
A novel spectrophotometric method for the determination of aluminum (III) in aqueous samples was developed, validated, and optimized, based on the complex formation, between the analyte and Chromo azurol S using flow injection (FI) system. A five factor central composite design (CCD) using the response surface methodology (RSM) was employed to optimize the experimental reaction variables. The resulting second order polynomial model was found to be highly statistically significant, cofirming its excellent fit to the experimental data. Under the optimized conditions, the method demostrated satisfactory accuracy and precisi & oacute;n. The method s robustness was confirmed using a Youden-Steiner test, and was successful applicated and validated to tap w & aacute;ter samples. The FI method shows advantages over the batch conventional operation, such as high sensitivity, low volume simple consumption, and high sample throughput (40 samples hr (-1)). Also achieved a high analytical GREEnness metric (AGREE) and blue applicability grade index (BAGI), which confirms its ecological quality and practicality. This work provides a rapid, cost-effective, and reliable analytical tool for the determination of aluminium in aqueous matrices.
The synthesis and characterization of Zinc Oxide Nanoparticles (ZnO NPs) is reported at 0 degrees C and room temperature, with 1-octadecanol, zinc acetate and lithium hydroxide. The structural and electronic nature of the obtained ZnO NPs was confirmed by Transmission Electron Microscopy, powder X-Ray Diffraction and UV-Vis absorption. NPs exhibited diameters within 8-13 nm and ellipsoidal morphology. The synergism between the ZnO NPs on the luminescent response of a Cu(I) complex in solid-state was evaluated by stacking layers on a glass substrate. Main results show that the complex increases emission response by 2.45 times compared to the absence of the ZnO NPs layer. This behaviour could be interpreted by a possible energy transfer due to the interaction between the optical band gap of ZnO NPs semiconductor with the emitting Cu(I) complex. These preliminary results suggest a close interaction between the ZnO NPs and the heteroleptic Cu(I) complex, inducing a strong emissive response on the coated glass. These results appear as outstanding to the future performance hybrid material using nanomaterials to enhance the luminescence of non-expensive metal for optical applications.
The present work reports the chemical and functional profile of Chiloe's giant garlic. Applying AOAC's official methods the proximal content of giant garlic was determined finding a moisture content of 62.34 +/- 0.35%, carbohydrates 20.64 +/- 0.01%, protein 2.80 +/- 0.10%, fat (crude) 0.09 +/- 0.00%, ash 0.74 +/- 0.02%, and fiber (crude) 13.04 +/- 0.01%. Three saccharides [sucrose (5.92 +/- 0.02 mg g(-1)), glucose (0.11 +/- 0.00 mg g(-1)) and fructose (0.46 +/- 0.01 mg g(-1))], four fatty acids [linoleic acid (57.67 +/- 0.00%), palmitic acid (23.46 +/- 0.00%), oleic acid (7.20 +/- 0.00%), and alpha-linolenic acid (5.06 +/- 0.00%)], and three sulfoxide compounds [alliin (2.66 +/- 0.90 mg g1), methiin (9.61 +/- 0.33 mg g(-1)) and isoalliin (5.02 +/- 1.24 mg g(-1))] were determined by high-performance thin-layer chromatography (HPTLC), gas chromatography 0.250 +/- 0.001 mmol TE per 100 g(-1) and a total (poly)phenols content (TPC) of 40.66 +/- 2.08 mg EAG 100 g(-1). (Poly)phenols profile analyzed by liquid chromatography (LC)/MS showed only the presence of caffeic acid (0.57 +/- 0.05 mu g g(-1)) and rutin (at traces level). Bioactive molecules with antioxidant (DPPH) and COX-2 inhibition activities were identified through HPTLC (bio)autography and MS analysis, finding the presence of tryptophan (antioxidant) and gamma-glutamyl-S-allyl-L- cysteine (GSAC), gamma-glutamyl-S-(trans-1-propenyl)-L- cysteine (GSPC), alliin and isoalliin with antioxidant and COX-2 inhibitory activity.
Quinolines are heterocyclic compounds with significant therapeutic potential, initially recognized for their role in treating malaria. Their structural versatility has led to the development of derivatives used in the treatment of various diseases, including Alzheimer's and Parkinson's. Found primarily in plants of the Rutaceae and Rubiaceae families, quinoline derivatives target key enzymes and receptors in the central nervous system. Recent advances focus on enhancing their pharmacokinetic properties to improve efficacy and selectivity in treating neurodegenerative disorders.
Arbutus unedo L., commonly known as the Strawberry tree, is gaining increasing interest due to its traditional, industrial, and medicinal applications. This study evaluates the in vitro and in silico biological activities of the ethanolic extract of A. unedo fruit, namely its antioxidant, anti-inflammatory and antibacterial properties. HPLC analysis was carried out for the determination of the main components of the extract. Antioxidant activity was assessed via DPPH radical scavenging method, ABTS, metal chelation and beta-carotene/linoleic acid bleaching assays while the antiinflammatory activity was done via the inhibition of albumin denaturation method. The in vitro antibacterial activity was evaluated by the disk diffusion method against four ATTC strains. Molecular docking was performed using Autodock Vina PyRx docking techniques against ten bacterial protein targets. HPLC analysis identified 11 compounds whose majority components are: chlorogenic acid (22.66 mu g/mL) and gallic acid (15.43 mu g/mL). The extract exhibited strong antioxidant potential, with IC(50 )values of 0.1 +/- 0.007 mg/mL for DPPH, 0.021 +/- 0.02 mg/mL for ABTS, and 0.011 +/- 0.006 mg/mL for iron chelation. The beta-carotene/linoleic acid test showed inhibition rates ranging from 35.43% +/- 0.03 to 89.42% +/- 0.05. Additionally, the in vitro anti-inflammatory activity revealed an inhibitory effect of 92.97% compared to aspirin (97.40%) at 20 mu g/mL. Naringenin, ellagic acid and chlorogenic acid are the best antibacterial candidates with binding energies of less than -8 kcal/mol and more bacterial targets bound. Ferulic acid, methyl gallate, caffeic acid, synergistic acid, and coumaric acid are the safest and pharmacokinetically favorable, while gallic acid, naringenin, and chlorogenic acid have limitations as toxicity or poor absorption. These findings support the traditional medicinal use of A. unedo and highlight its potential as a natural bioactive source.
