Journal of the Mexican Chemical Society
type: channel
description: The Journal of the Mexican Chemical Society (J. Mex. Chem. Soc.) is devoted to the advancement of the understanding of chemistry by means of the publication of research papers and critical reviews. J. Mex. Chem. Soc. is an open-access, peer-reviewed, continuous publication (starting 2026, formerly a quarterly publication) that charges upon acceptance as an Article Processing Charge (APCs). The Journal of the Mexican Chemical Society is currently indexed in: Comprehensive secondary sources: Scopus, WoS. Specialized secondary sources: NCBI, medsci, Sci-Finder. Full-text repositories: SciELO. Tertiary sources: JCR, SJR, Science Citation Index Expanded, Sistema de Clasificación de Revistas Mexicanas de Ciencia y Tecnología- CONACYT. Complementary sources: Latindex. Qualis/Capes: B2/2020
publisher: Sociedad Química de México, A.C.
language: en-US
publication name: Journal of the Mexican Chemical Society
issn: 1870-249X
copyright: Authors who publish with this journal agree to the following terms: Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal. Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
items: In silico Studies of N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl) piperazine-1-carboxamide Derivatives as Potent TRPV1 Antagonists using 3D QSAR, ADMET and Molecular Docking
items: Nanostructured Lipid Carriers-Chitosan Carrier System for Loading of Dipsacus Asper Essential Oil: Preparation, Characterization, Antioxidant Study
items: Investigation of Structure, Reactivity, and Biological Activity of Thiazole-Containing Compounds: A Computational Study
items: Daclatasvir, A Symmetric Drug for an Anti-Symmetric Target
items: The Controversy Surrounding the Toxicity of Biodegradable Plastics: PBAT as a Case Study
items: A Study of the Structural Features and Textural Properties of Carbon Sorbents Derived from Recycled Polyethylene Terephthalate and Polyethylene Waste
items: Optimization of Laboratory-scale Operating Conditions for the Modification of Cassava Starch (Manihot esculenta) Via Acid Hydrolysis and Phosphation
items: The Potential of Green as well as Roasted Coffee Water Extracts as in-vitro Inhibitors of Beta-Hematin Formation
items: Binder-Free Lignite-Derived Carbon/NiFe₂O₄ Fiber Structures as a Potential Anode Material for Na-ion Batteries
items: Eggshell Waste Derived Hydroxyapatite-SBS Composites Toward a Sustainable Future in Polymer Recycling
items: Exploring the Performance of Dye-Sensitized Solar Cells with Escontria chiotilla and Stenocereus sp. dyes
items: Mycelial Secondary Metabolites with Anti-proliferative Potential from the Sediment-associated Fungus Acremonium persicinum
items: First Report on Cultivated Salvia hispanica in an Arid Climate: UPLC-MS/MS Analysis, Antioxidant, and Enzymatic Activities
items: An Efficient and Stable Electrochemical Sensor Based on PtPd/CZO (CuO-doped ZnO) Synergistically Modified Electrode for ppb-level Formaldehyde Detection
items: Insecticidal and repellent effects of Pelargonium graveolens L'Hér., Salvia rosmarinus Spenn., and Mentha × piperita L. essential oils against Dendroctonus mexicanus (Coleoptera: Curculionidae)
items: Pentalinon andrieuxii, a Medicinal Plant with Antiviral Activity Against the Influenza A(H1N1pdm09) Virus
items: Thymol-Loaded Chitosan Nanoparticles: A New Ionic Gelation Method Using a Venturi Tube
items: Antimicrobial Effect on Pathogenic Microorganisms and Physicochemical Characterization of Zn-MgO Nanocomposites
items: Tri-Organotin(IV) Coordination Compounds Derived from a Cholesteryl Dithiophosphonate Ligand. Synthesis, Characterization, Structure, and Antibacterial Evaluation
items: Influence of Fluorine Substitution on π-π Stacking and Molecular Packing in Schiff Base Cocrystals
items: Phytochemical Characterization and Evaluation of Sedum sediforme Extracts as Potential β-lactamase Inhibitors: An In vitro and In Silico Study
items: Size-Specific Synthesis and Biological Evaluation of Silver Nanoparticles: A Computational and Experimental Integration
items: Synthesis of Octahedral Bipyramid TiO₂ Nanoparticles Free of Growth Agent as Congo Red Photocatalyst
items: Synthesis and Catalytic Application of Homoleptic Bis(triazol-5-ylidene)-Silver Complexes
items: Molecular Dynamics Study to Analyze the Interactions between Sodium Alginate and CBD
items: Hemicyanine Compounds as Versatile Tools in Chemical Biology and Medicinal Chemistry

In silico Studies of N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl) piperazine-1-carboxamide Derivatives as Potent TRPV1 Antagonists using 3D QSAR, ADMET and Molecular Docking
type: item
description: Abstract. TRPV1 is a promising therapeutic target given its involvement in pain management and inflammation.TRPV1 antagonists are increasingly sought after for their analgesic, anti-inflammatory and antitumor properties with fewer side effects. This study focused on the design of new effective TRPV1 antagonists by replacing the pyridine ring of BCTC with a pyrimidine ring. Significant 3D-QSAR models were developed using CoMSIA and CoMFA methods and showed a satisfactory correlation between experimental and predicted activity (Q2 = 0.715; R2 = 0.988; SEE = 0.048). Electrostatic, hydrophobic fields and hydrogen bond acceptors contributed significantly to the biological activity of studied compounds as well as the importance of hydrophobic , electrostatic fields and H-bond acceptors on the antagonistic activity of the most active molecule in the series of compounds studied. Molecular docking analysis validated the 3D-QSAR models and explained the interactions of the most active ligands with the binding site. These results permitted the prediction of new compounds, whose pharmacokinetic properties, toxicity and pharmacodynamics effects were assessed using ADMET and drug similarity. Resumen. El TRPV1 es un objetivo terapéutico prometedor debido a su participación en el manejo del dolor y la inflamación. Los antagonistas del trpv1 son cada vez más buscados por sus propiedades analgésicas, antiinflamatorias y antitumorales con menos efectos secundarios. Este estudio se centró en el diseño de nuevos antagonistas efectivos del trpv1 mediante la sustitución del anillo de piridina del bctc por un anillo de pirimidina. Se desarrollaron modelos 3D-QSAR significativos utilizando los métodos Comsia y Comfa, que mostraron una correlación satisfactoria entre la actividad experimental y la prevista (Q2 = 0.715; R2 = 0.988; SEE = 0.048). Los campos electrostáticos e hidrofóbicos y los aceptores de enlaces de hidrógeno contribuyeron significativamente a la actividad biológica de los co…
creator: Abdelilah Toughzaoui
creator: Oussama Chedadi
creator: Abdellah El Aissouq
creator: Youssef El Ouardi
creator: Mohammed Bouachrine
creator: Abdelkrim Ouammou
creator: Kamal Moradi
rights: Copyright (c) 2025 Abdelilah Toughzaoui, Oussama Chedadi , Abdellah El Aissouq, Youssef El Ouardi, Mohammed Bouachrine, Abdelkrim Ouammou, Kamal Moradi http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2105
ending page: e2105
doi: 10.29356/jmcs.v70i1.2105

Nanostructured Lipid Carriers-Chitosan Carrier System for Loading of Dipsacus Asper Essential Oil: Preparation, Characterization, Antioxidant Study
type: item
description: Abstract. Dipsacus asper essential oil (DEO) was encapsulated within a nanostructured lipid carrier (DEO-NLC), with chitosan (DEO-NLC-CS) subsequently applied as a surface coating. These carriers ' physicochemical and morphological properties, stability, in vitro release performance, and antioxidant activity were investigated. This study presents a new approach to address the challenges of Dipsacus essential oil's volatility and poor water solubility. The average diameter of DEO-NLC and DEO-NLC-CS were 68.90 ± 1.18 and 119.40 ± 1.40 nm, respectively, as determined by dynamic light scattering (DLS). Scanning electron microscope (SEM) and transmission electron microscope (TEM) confirmed both carriers were spherical-like coating structures, which confirmed the results of DLS. Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) showed the successful physical capture of DEO in DEO-NLC and DEO-NLC-CS. The X-ray diffractogram of DEO-NLC and DEO-NLC-CS exhibited a wide high-intensity peak at 2θ = 15~25°, indicating that DEO was entrapped within NLC. It has been confirmed through differential scanning calorimetry (DSC) that the chitosan matrix successfully encapsulated DEO. In vitro release studies showed that both exhibited good sustained release properties. The antioxidant studies showed that blank NLC, DEO-NLC, and DEO-NLC-CS have good 1,1-diphenyl-2-picryl-hydrazyl radical (DPPH·) scavenging activities. Resumen. El aceite esencial de Dipsacus asper (DEO) se encapsuló dentro de un portador lipídico nanoestructurado (DEO-NLC), y posteriormente se aplicó quitosano (DEO-NLC-CS) como recubrimiento de superficie. Se investigaron las propiedades fisicoquímicas y morfológicas, la estabilidad, el rendimiento de liberación in vitro y la actividad antioxidante de estos portadores. Este estudio presenta un nuevo enfoque para abordar los desafíos de la volatilidad y la mala solubilidad en agua del aceite esencial de Dipsacus. El diámetro promedio de DEO-NL…
creator: Yu Zhang
creator: Mengjiao Mengjiao
creator: Jing Zou
creator: Chaojun Li
creator: Ming Kang
creator: Xiaofeng Liang
rights: Copyright (c) 2025 Yu Zhang, Mengjiao Mengjiao, Jing Zou, Chaojun Li, Ming Kang, Xiaofeng Liang http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2165
ending page: e2165
doi: 10.29356/jmcs.v70i1.2165

Investigation of Structure, Reactivity, and Biological Activity of Thiazole-Containing Compounds: A Computational Study
type: item
description: Abstract. Herein, the structure, stability, reactivity, and biological activity of recently synthesized thiazole-containing compounds are evaluated using density functional theory (DFT), molecular docking, and molecular dynamics (MD) techniques. All the selected thiazole-containing compounds are optimized using DFT (B3LYP/def2-TZVPP) method. The DFT reactivity parameters such as energy gap, chemical hardness, chemical potential, ionization potential, electron affinity, electronegativity, softness, and electrophilicity index are calculated. Our calculations indicate that the thiazole-containing compound M1 shows significant structural stability and reactivity. Our physicochemical and pharmacokinetic studies suggest that the selected thiazole-containing compounds possess a drug-like nature. The antibacterial, anticancer, anticholinergic, and antifungal activity of the selected thiazole-containing compounds are investigated using molecular docking and dynamics methods. Our docking studies revealed that M1 shows higher binding affinity with the selected protein targets, which confirms their biological activity. Similarly, M6, M9, and M10 possess lesser binding energy among the selected thiazole-containing compounds. Our MD simulations show that the ligand M1 strongly interacts with the 1M17 protein. shows higher binding affinity with the selected protein targets, which confirms their biological activity. Similarly, M6, M9, and M10 possess lesser binding energy among the selected thiazole-containing compounds. Our MD simulations show that the ligand M1 strongly interacts with the 1M17 protein. This is further evidence that the ligand M1 is a promising candidate for the development of new drugs against deadly pathogens. Resumen. En este trabajo, se evalúan la estructura, estabilidad, reactividad y actividad biológica de compuestos que contienen tiazol recientemente sintetizados mediante la teoría del funcional de la densidad (DFT), acoplamiento molecular y técnicas de din…
creator: Selvarengan Paranthaman
creator: Saranya Gurumoorthy
creator: Karthikeyan Asokan
creator: Abiram Angamuthu
rights: Copyright (c) 2025 Selvarengan Paranthaman, Saranya Gurumoorthy, Karthikeyan Asokan, Abiram Angamuthu http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2378
ending page: e2378
doi: 10.29356/jmcs.v70i1.2378

Daclatasvir, A Symmetric Drug for an Anti-Symmetric Target
type: item
description: Abstract. Immunotherapy has become a cornerstone in cancer treatment, with anti-PD-L1 antibodies effectively used across various cancers. Although these therapies have shown success, antibodies face limitations in bioavailability compared to low molecular mass compounds. An alternative strategy is to stabilize PD-L1 homodimers to prevent their immunosuppressive activity. The homodimer interface forms a tunnel-like cavity that can accommodate small molecules. However, no small drugs targeting PD-L1 homodimers have been approved for cancer treatment. Drug repurposing offers a promising approach to bridge this gap. In this study, we sought to identify potential PD-L1 inhibitors among FDA-approved drugs using virtual screening, followed by molecular docking, molecular dynamics simulations, and MM/PBSA binding energy calculations. Our results indicate that daclatasvir, an FDA-approved antiviral for hepatitis C, forms a stable and energetically favorable complex with the PD-L1 homodimer, suggesting it as a promising candidate for further investigation in cancer immunotherapy. Due to its symmetry, daclatasvir simultaneously interacts with both PD-L1 monomers in an equivalent manner, bridging the dimer interface. Its biphenyl core anchors at the center of the tunnel, the imidazole rings position at the entrances, and the pyrrolidine rings remain exposed to the solvent. Our in-depth characterization of the binding mode of daclatasvir clarifies its binding mechanism, and recent experimental findings have also indicated that daclatasvir binds to PD-L1, supporting its potential in this new context. Resumen. La inmunoterapia se ha convertido en una piedra angular en el tratamiento del cáncer, y los anticuerpos anti-PD-L1 se utilizan eficazmente en varios tipos de cáncer. Aunque estas terapias han demostrado ser exitosas, los anticuerpos enfrentan limitaciones de biodisponibilidad en comparación con los compuestos de baja masa molecular. Una alternativa al uso de anticuerpos cons…
creator: Luis Córdova-Bahena
creator: Axel Sánchez-Álvarez
creator: Ivonne López-Lerma
creator: Nohemí Salinas-Jazmín
creator: José L. Medina-Franco
creator: Marco Velasco-Velázquez
rights: Copyright (c) 2025 Luis Cordova-Bahena, Axel Sánchez-Álvarez, Ivonne López-Lerma, Nohemí Salinas-Jazmín, José L. Medina-Franco, Marco Velasco-Velázquez http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2393
ending page: e2393
doi: 10.29356/jmcs.v70i1.2393

The Controversy Surrounding the Toxicity of Biodegradable Plastics: PBAT as a Case Study
type: item
description: Abstract. Synthetic plastics contribute to increase human comfort, but they also represent a huge pollution problem. One way to avoid contamination is with biodegradable plastics, such as PBAT [poly(butylene-adipate-co-terephthalate)]. The controversy begins with the apparent negative effect of PBAT on plant growth, and also because it could cause behavioral abnormalities in zebrafish. Previous studies suggest that biodegradation products could be responsible for this. The potential toxicity of biodegradation products and PBAT can be analyzed through the binding energies with biomolecules such as guanine-cytosine (GC). This Density Functional Theory investigation analyzes the interaction of biodegradation products with GC. All compounds under study form stable systems with GC and may be toxic. These results are consistent with previous toxicity research which conclude that PBAT degradation products may be more toxic than PBAT microplastics. Resumen. Los plásticos sintéticos contribuyen a aumentar el confort humano, pero también representan un enorme problema de contaminación. Una forma de evitar la contaminación es con plásticos biodegradables, como el PBAT [poli(butileno-adipato-co-tereftalato)]. La controversia comienza con el aparente efecto negativo del PBAT sobre el crecimiento de las plantas, y también porque podría causar anomalías de comportamiento en el pez cebra. Estudios previos sugieren que los productos de biodegradación podrían ser responsables de esto. La toxicidad potencial de los productos de biodegradación y el PBAT se puede analizar a través de las energías de enlace con biomoléculas como la guanina-citosina (GC). Esta investigación utiliza la Teoría de Funcionales de la Densidad para analizar la interacción de los productos de biodegradación con GC. Todos los compuestos estudiados forman sistemas estables con GC y podrían ser tóxicos. Estos resultados son consistentes con investigaciones de toxicidad que concluyen que los productos de degradación…
creator: Ana Martínez
creator: Diana Salvador-García
rights: Copyright (c) 2025 Ana Martínez, Diana Salvador-García http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2411
ending page: e2411
doi: 10.29356/jmcs.v70i1.2411

A Study of the Structural Features and Textural Properties of Carbon Sorbents Derived from Recycled Polyethylene Terephthalate and Polyethylene Waste
type: item
description: Abstract. This article presents the results of a study on carbon sorbents obtained from recycled polyethylene terephthalate (PET) and polyethylene (PE) waste. The research focused on analyzing the structural features and textural properties of the sorbents, as well as their adsorption capabilities. It was found that the specific surface area of sorbents derived from PET with the addition of oxidized graphite reached 318.76 m²/g, while similar materials based on PE achieved up to 420.47 m²/g. These parameters, combined with an increased volume of micropores and mesopores, significantly enhance adsorption efficiency, particularly in water purification applications. The addition of a pore-forming resulted in a further increase in specific surface area, reaching 825.99 m²/g for PET-OG10 and 1011.78 m²/g for PE-OG10, making these materials particularly promising for adsorption processes. Experimental results confirmed that such carbon-based sorbents effectively remove heavy metals and organic pollutants from water due to their well-developed micro- and mesoporous structure. Thus, the findings of this study highlight the potential of recycled polymeric materials for the development of novel high-performance sorbents, contributing to enhanced environmental safety and sustainable waste management. Resumen. Este artículo presenta los resultados de un estudio sobre sorbentes de carbono obtenidos a partir de residuos reciclados de politereftalato de etileno (PET) y polietileno (PE). La investigación se centró en el análisis de las características estructurales y las propiedades texturales de los sorbentes, así como en su capacidad de adsorción. Se encontró que el área superficial específica de los sorbentes derivados del PET con la adición de grafito oxidado alcanzó los 318.76 m²/g, mientras que materiales similares basados en PE lograron hasta 420,47 m²/g. Estos parámetros, combinados con un aumento en el volumen de microporos y mesoporos, mejoran significativamente la eficie…
creator: Alisher Kalbaev
creator: Aziza Abdikamalova
creator: Dilzoda Asqarova
creator: Shahrom Khoshimov
creator: Rahimjon Paygamov
creator: Khayot Bakhronov
creator: Kamoliddin Kholikov
creator: Dilnoza Salikhanova
creator: Dilnoza Jumaeva
creator: Izzat Eshmetov
creator: Nursultan Maratov
creator: Mamataliev Nozim
rights: Copyright (c) 2025 Alisher Kalbaev, Aziza Abdikamalova, Dilzoda Asqarova, Shahrom Khoshimov, Rahimjon Paygamov , Khayot Bakhronov , Kamoliddin Kholikov , Dilnoza Salikhanova , Dilnoza Jumaeva, Izzat Eshmetov, Nursultan Maratov, Mamataliev Nozim http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2438
ending page: e2438
doi: 10.29356/jmcs.v70i1.2438

Optimization of Laboratory-scale Operating Conditions for the Modification of Cassava Starch (Manihot esculenta) Via Acid Hydrolysis and Phosphation
type: item
description: Abstract. This study explores the chemical modification of natural cassava starch through acid hydrolysis and phosphation, evaluating the impact of these treatments on key physicochemical properties such as viscosity, gelatinization temperature, water solubility, and acidity index. The reaction parameters for each process were optimized, including HCl concentration, sodium tripolyphosphate (TPS) concentration, and reaction time, achieving optimal conditions of 0.5 N HCl for 1 h for acid hydrolysis and 0.1 % TPS for 1 h for phosphation. These parameters were selected for their efficiency and cost-effectiveness in terms of reagent consumption and processing time, resulting in a significant improvement in the physicochemical properties of the starch. Acid hydrolysis reduced the viscosity of the starch, indicating a change in its molecular structure, while the gelatinization temperature increased, suggesting enhanced thermal stability. Water solubility showed a substantial increase, indicating greater availability for different applications. Phosphation with sodium tripolyphosphate also improved solubility and the acidity index due to the introduction of phosphate groups. Together, these results demonstrate that both treatments are highly effective in modifying cassava starch, expanding its potential for use in industries such as food, bioplastics, and pharmaceuticals, where the improved properties can offer new opportunities for the development of innovative products. Resumen. Este estudio explora la modificación química del almidón de yuca natural mediante hidrólisis ácida y fosfatación, evaluando el impacto de estos tratamientos sobre sus propiedades fisicoquímicas clave, como la viscosidad, la temperatura de gelatinización, la solubilidad en agua y el índice de acidez. Se optimizaron los parámetros de reacción para cada proceso, incluyendo la concentración de HCl, la concentración de tripolifosfato de sodio (TPS) y el tiempo de tratamiento, alcanzando condiciones óp…
creator: Diana Fiallos
creator: Vanessa Rosales
creator: Kiara Montiel-Centeno
creator: Danilo López-Valerio
rights: Copyright (c) 2025 Diana Fiallos, Vanessa Rosales, Kiara Montiel-Centeno , Danilo López-Valerio http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2416
ending page: e2416
doi: 10.29356/jmcs.v70i1.2416

The Potential of Green as well as Roasted Coffee Water Extracts as in-vitro Inhibitors of Beta-Hematin Formation
type: item
description: Abstract. This study investigates the antimalarial potential of coffee extracts exploring their relationship with roasting, absorption, effectiveness, and hemozoin production, while also identifying flavonoids and phenolic compounds. Research on the antimalarial properties of coffee extracts is crucial for developing new therapies. Coffee extracts could provide a natural and accessible source and understanding the effects of the roasting process can optimize their efficacy. Water extracts were obtained from both green and roasted coffee beans subjected to varying roasting times. The effectiveness of the extracts was measured by the absorption of dissolved β- hematin at a wavelength of 405 nm. Chromatographic analysis using high-performance liquid chromatography (HPLC) was employed to separate and detect flavonoids and phenolic compounds within the extracts. Specific compound identification was achieved by comparing retention times and UV spectrum wavelengths of standards and samples. The study found that the absorption of coffee extracts was inversely correlated with their effectiveness, indicating that lower absorption corresponds to higher effectiveness. Green coffee water extracts exhibited limited efficacy, while roasted extracts demonstrated the highest efficacy. Chromatographic analysis identified flavonoids and phenolic compounds. Overall, the study reveals the antimalarial potential of coffee extracts, with extract effectiveness inversely related to absorption and inhibitory effects on hemozoin production. Chrysin as well as Galangin were identified as key constituents, highlighting their potential in antimalarial therapies. Further research is needed to understand their mechanisms of action. Resumen. Este estudio se investigó el potencial antipalúdico de los extractos de café, explorando su relación con el tostado, la absorción, la eficacia y la producción de hemozoína, a la vez que se identificaron flavonoides y compuestos fenólicos. La investigación sobre…
creator: Mutaz Akkawi
creator: Fuad Al-Rimawi
creator: Qassem Abu-Remeleh
creator: Latifah Al Shammari
creator: Amal N. Alanazi
creator: Salma Saddeek
creator: Fadel Wedian
creator: Ghassab M. Al-Mazaideh
creator: Mohammed Helmy Faris Shalayel
rights: Copyright (c) 2025 Mutaz Akkawi; Fuad Al-Rimawi; Qassem Abu-Remeleh, Latifah Al Shammari, Amal N. Alanazi, Salma Saddeek, Fadel Wedian, Ghassab M. Al-Mazaideh, Mohammed Helmy Faris Shalayel http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2474
ending page: e2474
doi: 10.29356/jmcs.v70i1.2474

Binder-Free Lignite-Derived Carbon/NiFe₂O₄ Fiber Structures as a Potential Anode Material for Na-ion Batteries
type: item
description: Abstract. Rational structural design is crucial for achieving superior sodium storage performance in anode materials for Na-ion batteries. Although cost-effective coal-based carbon materials are highly attractive, their diverse structures often lead to poor performance during the Na/Na⁺ process. In this study, lignite-based activated carbon/NiFe₂O₄ nanofiber composites were synthesized using a simple low-temperature co-precipitation method at 100 °C. ZnCl₂ and KOH were selected as activating agents for fabricating activated carbons from raw lignite sources. By employing different structural models, the estimated crystallite size of the lignite-based activated carbon ranges from 41 to 47 nm, while the range for NiFe₂O₄ nanofiber incorporation is between 95 and 143 nm. The Raman spectrum of the samples confirms sharp D, G, and shallow 2D bands of activated carbon located at ~1340, 1580, and 2700 cm⁻¹, respectively. The presence of sulfur and silicon residues in the activated carbon structure hinders sodium ion transport. The reduction of silicon content and the elimination of sulfur, combined with the incorporation of NiFe₂O₄ fibers and the creation of additional active zones, enhances the electrochemical performance by providing more Na-storage sites. The results indicate that the lignite-based activated carbon/NiFe₂O₄ nanofiber composites exhibit improved rate performance compared to individual lignite-derived activated carbons. Resumen. El diseño estructural racional es crucial para lograr un mayor rendimiento almacenamiento de sodio en materiales para ánodos de baterías de iones de Na. Aunque los materiales de carbono a base de carbón rentables son muy atractivos, sus diversas estructuras a menudo dan como resultado un bajo rendimiento durante el proceso Na/Na⁺. En este estudio, se sintetizaron compuestos de nanofibras de carbón activado/NiFe₂O4 a base de lignito mediante una coprecipitación fácil a baja temperatura a 100 °C. Se seleccionaron ZnCl₂ y KOH como agen…
creator: Fatma Sarf
creator: Emin Yakar
rights: Copyright (c) 2025 Fatma Sarf, Emin Yakar http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2456
ending page: e2456
doi: 10.29356/jmcs.v70i1.2456

Eggshell Waste Derived Hydroxyapatite-SBS Composites Toward a Sustainable Future in Polymer Recycling
type: item
description: Abstract. This research evaluated styrene-butadiene-styrene (SBS) composites modified with varying concentrations of hydroxyapatite (HAP) synthesized from eggshells. Hydroxyapatite is a versatile material with diverse applications, including its use as an adsorbent. The study investigated the incorporation of HAP particles into an SBS matrix a melt blending method in a mixing chamber. The composites were analyzed by X-ray diffraction (XRD), optical microscopy, infrared spectroscopy, and mechanical tests. The results indicate that incorporating hydroxyapatite significantly enhances several characteristics of the SBS composites, as evidenced by structural changes observed in XRD, morphological features revealed by optical microscopy, and improvements in mechanical strength and chemical properties according to the infrared analysis performed. The SBS/HAP composites containing synthetic hydroxyapatite derived from eggshells a 120 % improvement in mechanical properties compared to the reference sample, with compatibility between the components observed in the microscopy images. Resumen. Esta investigación evaluó compuestos de estireno-butadieno-estireno (SBS) modificados con concentraciones variables de hidroxiapatita (HAP) sintetizada a partir de cáscaras de huevo. La hidroxiapatita es un material versátil con diversas aplicaciones, incluyendo su uso como adsorbente. El estudio investigó la incorporación de partículas de HAP en una matriz de SBS mediante un método de mezcla en fundido en una cámara de mezcla. Los compuestos se analizaron mediante difracción de rayos X (DRX), microscopía óptica, espectroscopia infrarroja y ensayos mecánicos. Los resultados indican que la incorporación de hidroxiapatita mejora significativamente varias características de los compuestos de SBS, como lo evidencian los cambios estructurales observados en la DRX, las características morfológicas reveladas por microscopía óptica y las mejoras en la resistencia mecánica y las propiedades químic…
creator: Beatriz Adriana Salazar‑Cruz
creator: Cynthia Graciela Flores‑Hernández
creator: Alexia Guadalupe Dávila-Quiroz
creator: José Luis Rivera‑Armenta
creator: Edgar Onofre-Bustamante
creator: Juventino López Barroso
rights: Copyright (c) 2025 Beatriz Adriana Salazar‑Cruz, Cynthia Graciela Flores‑Hernández, Alexia Guadalupe Dávila-Quiroz, José Luis Rivera‑Armenta, Edgar Onofre-Bustamante, Juventino López Barroso http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2459
ending page: e2459
doi: 10.29356/jmcs.v70i1.2459

Exploring the Performance of Dye-Sensitized Solar Cells with Escontria chiotilla and Stenocereus sp. dyes
type: item
description: Abstract. In this study, natural dyes were extracted from two different cacti: Stenocereus sp. and Escontria chiotilla peel. The dyes were used as potential sensitizers for Dye-Sensitized Solar Cells (DSSCs). For Stenocereus sp. fruit, microfiltration and ultrafiltration processes were applied to obtain a purified sample and to investigate their effects on the photovoltaic response of DSSCs. The Escontria chiotilla peel extract was used directly. The chemical properties and stability of the dyes were investigated using UV-Vis spectroscopy, while FT-IR and XRD were used to identify the dye chemical composition and the structural features of working electrodes. Additionally, the photovoltaic properties of the fabricated devices were examined by measuring the J-V curves. It was found that the best performance was achieved using the Escontria chiotilla extract, yielding an efficiency of approximately 0.039 % due to the presence of chlorophyll as a sensitizer agent. Resumen. En este estudio, se extrajeron colorantes naturales de dos distintos cactus: Stenocereus sp. y de Escontria chiotilla. Los colorantes se utilizaron como posibles colorantes para Celdas Solares Sensibilizadas por Tinte. Para el caso de Stenocereus sp, el extracto se sometió a procesos de microfiltración y ultrafiltración para obtener una muestra purificada y posteriormente, investigar sus efectos en la respuesta fotovoltaica de las DSSC. El extracto de cáscara de Escontria chiotilla se utilizó directamente. Las propiedades químicas y la estabilidad de los tintes se investigaron mediante espectroscopia UV-Vis, mientras que las técnicas FT-IR y XRD se utilizaron para identificar la composición química de los tintes y la estructura de los electrodos de trabajo respectivamente. Adicionalmente, las propiedades fotovoltaicas de los dispositivos fabricados se examinaron midiendo las curvas J-V. Se encontró que el mejor rendimiento fue alcanzado utilizando el extracto de Escontria chiotilla, obteniéndose una …
creator: Romero-Contreras A.
creator: González-Juárez E.
creator: Sandate-Flores L.
creator: Sinagawa-García S.
creator: De La Fuente-Loera R.
creator: Sánchez-Cervantes E.
rights: Copyright (c) 2025 Romero-Contreras A., González-Juárez E., Sandate-Flores L., Sinagawa-García S., De La Fuente-Loera R., Sánchez-Cervantes E. http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2426
ending page: e2426
doi: 10.29356/jmcs.v70i1.2426

Mycelial Secondary Metabolites with Anti-proliferative Potential from the Sediment-associated Fungus Acremonium persicinum
type: item
description: Abstract. Fungi associated with marine organisms, sediments and the mangrove rhizosphere are a promising source of bioactive compounds. However, lagoon-craters-associated fungi have been little explored. Therefore, this work reports on the mycelial secondary metabolites of the liquid culture of Acremonium persicinum CF25 isolated from the sediment of an alkaline lagoon-crater as having an anti-proliferative potential. In this way, from the biomass generated in 50 L of A. persicinum CF25 culture, 4 extracts of intermediate polarity were obtained, of which fractions F3 and F4 showed anti-proliferative potential with values of [GI50=µg/mL] equal to F3 (7.8, 13.0, 9.6, 11.0, 8.9, 21.0) and F4 (21.0, 35.0, 27.0, 27.0, 18.0, 27.0) against human solid tumor cell lines [A549, HBL-100, HeLa, SW1573, T-47D, WiDr], respectively. From the purification of F3, the sterols ergosterol, ergosterol peroxide and cerevisterol were isolated, while from F4 the anthraquinone known as questin was obtained. Questin presented a greater anti-proliferative effect against the A549 lung cancer and HeLa cervical cancer cell lines [GI50=μM] of 27.0 and 31.0, respectively. In addition, questin was shown to induce cell death by apoptosis, with a high selectivity index in SW1573 and T-47D tumor cells. Finally, these results support the importance of bioprospecting studies in ecosystems such as alkaline lagoon-craters, since they are a good source of microorganisms from which it is possible to obtain bioactive compounds. Resumen. Los hongos asociados a organismos marinos, los sedimentos y la rizosfera de manglares son una fuente prometedora de compuestos bioactivos. Sin embargo, los hongos asociados lagunas cráter han sido poco explorados. Por ello, en este trabajo se reportan los metabolitos secundarios con potencial antiproliferativo obtenidos a partir del cultivo líquido miceliar de Acremonium persicinum CF25 aislado del sedimento de una laguna cráter alcalina. De esta manera, a partir de la biomas…
creator: César Espinoza
creator: César Franceschy
creator: Alan Couttolenc
creator: María de la Soledad Lagunes-Castro
creator: José M. Padrón
creator: José J. Fernández
creator: Ángel Trigos
rights: Copyright (c) 2025 César Espinoza, César Franceschy, Alan Couttolenc, María de la Soledad Lagunes-Castro, José M. Padrón, José J. Fernández, Ángel Trigos http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2382
ending page: e2382
doi: 10.29356/jmcs.v70i1.2382

First Report on Cultivated Salvia hispanica in an Arid Climate: UPLC-MS/MS Analysis, Antioxidant, and Enzymatic Activities
type: item
description: Abstract. This study is the first to identify polyphenols and flavonoids in ethanolic extracts of aerial parts of Salvia hispanica cultivated under arid conditions using UPLC–MS analysis. Antioxidant activity was evaluated through DPPH, ABTS, PHE, and FRAP tests, while enzymatic activity was assessed via α-amylase inhibition. The polyphenol and flavonoid contents were highest in the inflorescences, followed by the leaves and stems. The major compounds identified included oleanolic acid, riboflavin, rutin, naringenin, curcumin, caffeic acid, resveratrol, quercetin, epicatechin, and luteolin. The chelating activity of leaf, inflorescences, and stem extracts ranged from 11.97 to 145.86 μg mL-1, while α-amylase inhibitory activity ranged from 7.66 to 21.25 μg mL-1. These findings highlight the pharmacological potential of S. hispanica, particularly its antioxidant and antidiabetic properties. This research enhances scientific understanding of Chia’s aerial parts, supporting the development of plant-based supplements and medicinal applications for health and wellness. Resumen. Este estudio es el primero en identificar polifenoles y flavonoides en extractos etanólicos de las partes aéreas de Salvia hispanica cultivadas en condiciones áridas mediante análisis UPLC-MS. La actividad antioxidante se evaluó mediante pruebas DPPH, ABTS, PHE y FRAP, mientras que la actividad enzimática se evaluó mediante inhibición de la α-amilasa. Los contenidos de polifenoles y flavonoides fueron más altos en las inflorescencias, seguidos de las hojas y los tallos. Los principales compuestos identificados incluyeron ácido oleanólico, riboflavina, rutina, naringenina, curcumina, ácido cafeico, resveratrol, quercetina, epicatequina y luteolina. La actividad quelante de los extractos de hojas, inflorescencias y tallos varió de 11.97 a 145.86 μg mL-1, mientras que la actividad inhibidora de α-amilasa varió de 7.66 a 21.25 μg mL-1. Estos hallazgos resaltan el potencial farmacológico de S. hispanica…
creator: Ibtissem Rahmoune
creator: Samira Karoune
creator: Clara Azzam
creator: Somia Saad
creator: Noui Hendel
creator: Hadji Toka
creator: Farid Chebrouk
creator: Thamere Cheriet
creator: Mohamed SeifAllah Kechebar
creator: Ouahiba Mizab
rights: Copyright (c) 2025 Ibtissem Rahmoune, Samira Karoune, Clara Azzam, Somia Saad, Noui Hendel, Hadji Toka, Farid Chebrouk, Thamere Cheriet, Mohamed SeifAllah Kechebar, Ouahiba Mizab http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2485
ending page: e2485
doi: 10.29356/jmcs.v70i1.2485

An Efficient and Stable Electrochemical Sensor Based on PtPd/CZO (CuO-doped ZnO) Synergistically Modified Electrode for ppb-level Formaldehyde Detection
type: item
description: Abstract. An efficient formaldehyde (FA) detection system was developed through the functionalization of a glassy carbon electrode (GCE) with PtPd nanoparticles and CuO-doped ZnO (CZO) composite. A comprehensive suite of analytical techniques was employed to investigate the composite materials' morphology and electrocatalytic performance. The findings indicated that the bandgap energy and resistance value (Rct + Rp) of PtPd/CZO nanoparticles (NPs) were 1.95 eV and 912.61 Ω, respectively, which are lower than those of CZO NPs. This indicates a higher surface electron transfer rate and enhanced catalytic properties for PtPd/CZO NPs. The electrocatalytic oxidation performance of the PtPd/CZO/GCE were thoroughly evaluated. The PtPd/Nafion/GCE sensor exhibited remarkable electrocatalytic performance toward formaldehyde electro-oxidation within a 0.1 M sulfuric acid medium, showing a linear response between 50.0 and 7000.0 µM along with a detection threshold of 5.8 µM. This sensor offers exceptional stability and reliability, with its practical application value proven through experiences. Resumen. Se desarrolló un sistema eficiente de detección de formaldehído (FA) mediante la funcionalización de un electrodo de carbono vítreo (ECV) con nanopartículas de PtPd y con un compuesto de ZnO (CZO) dopado con CuO. Se empleó un conjunto completo de técnicas analíticas para investigar la morfología y el rendimiento electrocatalítico de los materiales compuestos. Los resultados indicaron que la energía de banda prohibida y el valor de resistencia (Rct + Rp) de las nanopartículas (NP) de PtPd/CZO fueron de 1,95 eV y 912,61 Ω, respectivamente, inferiores a los de las NP de CZO. Esto indica una mayor tasa de transferencia de electrones en la superficie y mejores propiedades catalíticas para las NP de PtPd/CZO. Se evaluó exhaustivamente el rendimiento de la oxidación electrocatalítica en PtPd/CZO/ECV. El sensor PtPd/Nafion/GCE mostró un rendimiento electrocatalítico excepcional en la e…
creator: Siyu Chen
creator: Li Jiang
creator: Yahong Luo
creator: Xiaowei Huang
creator: Fan Zhang
creator: Zhu Tao
creator: Yanxia Liang
creator: Jiao Liu
rights: Copyright (c) 2025 Siyu Chen, Li Jiang, Yahong Luo, Xiaowei Huang, Fan Zhang, Zhu Tao, Yanxia Liang, Jiao Liu http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2490
ending page: e2490
doi: 10.29356/jmcs.v70i1.2490

Insecticidal and repellent effects of Pelargonium graveolens L'Hér., Salvia rosmarinus Spenn., and Mentha × piperita L. essential oils against Dendroctonus mexicanus (Coleoptera: Curculionidae)
type: item
description: Abstract. Bark beetles are insects that help regenerate coniferous forests; however, they can become a devastating pest, causing widespread tree mortality. In Mexico, these insects are one of the most important pests. The use of synthetic insecticides has resulted in environmental damage, human health risks, and increased pest resistance. Aromatic plants offer a potential alternative for forest pest management. This study evaluated the insecticidal and repellent activities of essential oils (EOs) from Pelargonium graveolens, Salvia rosmarinus, and Mentha × piperita against Dendroctonus mexicanus. EOs were extracted through steam distillation, identified by gas chromatography-mass spectrometry (GC-MS), and tested for bioactivity. The major constituents were citronellol (54.0 %) and trans-menthone (9.9 %) in P. graveolens; 1,8-cineole (32.4 %) and α-pinene (30.7 %) in S. rosmarinus, and menthol (37.4 %) and menthyl acetate (20.1 %) in M. × piperita. The terpene geraniol exhibited the strongest insecticidal effect (LD50= 14.82 µg/insect). P. graveolens EO showed significant repellency at 80 μg/cm2 (50 %). In the acetylcholinesterase inhibition assay, α-pinene showed the most potent effect (IC50=3.49 mg/mL). These findings suggest that the tested EOs are promising natural alternatives to synthetic insecticides for managing D. mexicanus infestations. Resumen. Los escarabajos descortezadores son insectos que ayudan a la regeneración de bosques de coníferas, sin embargo, pueden convertirse en una plaga devastadora, provocando la mortalidad generalizada de árboles. En México estos insectos son uno de los agentes de disturbio más importantes. El uso de insecticidas sintéticos ha generado daños ambientales, riesgos para la salud humana y aumento de la resistencia de plagas. Las plantas aromáticas ofrecen una alternativa potencial para el manejo de plagas forestales. Este estudio evaluó la actividad insecticida y repelente de los aceites esenciales (AE) de Pelargonium graveole…
creator: Luis Mario Ayala-Guerrero
creator: Patricia Ibarra-Torres
creator: Petra Andrade-Hoyos
creator: María Berenice González-Maldonado
creator: Víctor Eric López y López
creator: Aarón Mendieta-Moctezuma
rights: Copyright (c) 2025 Aarón Mendieta-Moctezuma, Luis Mario Ayala-Guerrero, Víctor Eric López y López, Patricia Ibarra-Torres, Petra Andrade-Hoyos, María Berenice González-Maldonado http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2484
ending page: e2484
doi: 10.29356/jmcs.v70i1.2484

Pentalinon andrieuxii, a Medicinal Plant with Antiviral Activity Against the Influenza A(H1N1pdm09) Virus
type: item
description: Respiratory viral infections, including influenza, continue to pose a significant global health challenge, leading to seasonal epidemics every year. The 2009 outbreak, triggered by a new strain of the influenza A(H1N1pdm09) virus, marked the first influenza pandemic of the 21st century that resulted in over 200,000 fatalities across more than 214 countries. Presently, and despite the availability of vaccines and antiviral medications, the ongoing mutations of these viruses necessitates continuing the search for new and more effective antiviral treatments. Pentalinon andrieuxii, a vine native to the Yucatán Península, is traditionally used in Mayan medicine to treat snake bites and the skin lesions caused by cutaneous leishmaniasis. Current phytochemical knowledge of P. andrieuxii includes reports of tri-nor-sesquiterpenes, triterpenes, steroid derivatives, and sterols. However, to date, there are no reports on the antiviral activity of the extract or secondary metabolites from this plant. As part of our search for new antiviral metabolites from plants of the Apocynaceae family, we wish to report herein on the inhibition of the cytopathic effect of the semipurified fractions from the leaf extract of P. adrieuxii, when tested against the A/Yucatan/2370/09 (H1N1pdm09) strain of the influenza A virus, and the identification of polyphenolic metabolites in the bioactive fraction. Resumen. Las infecciones respiratorias causadas por virus, entre ellas la gripe, siguen siendo un importante reto sanitario a nivel mundial, cada año provocan epidemias estacionales. El brote de 2009, desencadenado por una nueva cepa del virus de la gripe A(H1N1pdm09), marcó la primera pandemia de gripe del siglo XXI y causó más de 200,000 víctimas mortales en más de 214 países. En la actualidad, pese a la disponibilidad de vacunas y medicamentos antivirales, las continuas mutaciones de estos virus obligan a seguir buscando tratamientos antivirales nuevos y más eficaces. Pentalinon andrieuxii, un…
creator: Ismael Fernando Villegas-Acosta
creator: Guadalupe Ayora-Talavera
creator: Neith Pacheco-López
creator: Iván Emanuel Herrera-Pool
creator: Karlina García-Sosa
creator: Luis Manuel Peña-Rodríguez
rights: Copyright (c) 2026 Ismael Fernando Villegas-Acosta, Guadalupe Ayora-Talavera, Neith Pacheco-López, Iván Emanuel Herrera-Pool, Karlina García-Sosa, Luis Manuel Peña-Rodríguez http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2494
ending page: e2494
doi: 10.29356/jmcs.v70i1.2494

Thymol-Loaded Chitosan Nanoparticles: A New Ionic Gelation Method Using a Venturi Tube
type: item
description: This study aimed to explore the potential of the Venturi tube as an innovative and scalable platform for preparing thymol-loaded chitosan nanoparticles (Tym-Ch-NP´s) using the ionic gelation method. Chitosan and thymol was used as polymer and bioactive compound, respectively. Unlike conventional processes, the Venturi tube provides continuous and efficient mixing, enhancing mass transfer and process reproducibility, which are key challenges in nanoparticle production. The effects of recirculation rate, stabilizing and crosslinking agent concentrations were evaluated. The systems obtained showed particle size around of ~ 300 nm, polydispersity index ~ 0.3 and zeta potential ~ +30 mV. Encapsulation efficiency ranged from 18.5 to 67.5 %. The highest efficiency was obtained under the following conditions: stabilizer 3.0 % (w/v), tripolyphosphate 0.5 % (w/v) and recirculation rate 5.8 L/min. The transmission and backscattering profiles verified that the nanoparticles prepared showed slight flocculation, with a DBS < 10 %, but are considered stable due to their zeta potential. These findings highlight the novelty and importance of adapting the Venturi tube to ionic gelation, demonstrating its capacity to produce stable nanoparticles and include model drug with potential application in the pharmaceutical chemical industry in a reproducible and scalable manner. Resumen. El principal objetivo de este estudio fue explorar el potencial del tubo Venturi como una plataforma innovadora y escalable en la preparación de nanopartículas de quitosano cargadas con timol usando el método de gelación iónica. Para este método se utilizó quitosano como polímero y timol como compuesto bioactivo. A diferencia de los sistemas convencionales por lote, el tubo Venturi proporciona una mezcla continua y eficiente, mejorando la transferencia de masa y la reproducibilidad del proceso, que representan desafíos clave en la producción de nanopartículas. Los resultados demostraron el efecto de la veloc…
creator: Gilberto Garcia-Salazar
creator: Diego Francisco Romero-Alatorre
creator: Maria de la Luz Zambrano-Zaragoa
creator: Luis Eduardo Serrano-Mora
creator: Gustavo Vidal-Romero
creator: David Quintanar-Guerrero
rights: Copyright (c) 2026 Gilberto Garcia-Salazar, Diego Francisco Romero-Alatorre, Maria de la Luz Zambrano-Zaragoa, Luis Eduardo Serrano-Mora, Gustavo Vidal-Romero, David Quintanar-Guerrero http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2467
ending page: e2467
doi: 10.29356/jmcs.v70i1.2467

Antimicrobial Effect on Pathogenic Microorganisms and Physicochemical Characterization of Zn-MgO Nanocomposites
type: item
description: Abstract. Zn-MgO nanocomposites have attracted interest due to their antimicrobial potential against pathogens. The antimicrobial activity of ZnO/MgO mixed oxides with different ratios (1 %, 3 %, 5 % w/w) was evaluated against Escherichia coli, Enterococcus faecalis, Staphylococcus aureus, Salmonella paratyphi A, and Listeria monocytogenes. The nanomaterials were synthesized using the microwave method and characterized by FT-IR, XRD, and SEM, confirming the presence of Zn-O and Mg-O bonds, particle sizes ranging from 20 to 42 nm, and cubic/semiglobular morphologies. The results revealed that the addition of MgO influences the particle size and the MgO ratio used, with 1 % ZM being the most effective treatment. This study contributes to the development of new antimicrobial agents to combat the growing bacterial resistance. Resumen. Los nanocompuestos de Zn-MgO han despertado interés por su potencial antimicrobiano contra patógenos. Se evaluó la actividad antimicrobiana de óxidos mixtos de ZnO/MgO con diferentes relaciones (1 %, 3 %, 5 % w/w) sobre Escherichia coli, Enterococcus faecalis, Staphylococcus aureus, Salmonella paratyphi A y Listeria monocytogenes. Los nanomateriales fueron sintetizados mediante el método de microondas y caracterizados por FT-IR, DRX y SEM, confirmando la presencia de enlaces Zn-O y Mg-O, tamaños de partícula entre 20-42 nm y morfologías cúbicas/semiglobulares. Los resultados revelaron que la adición de MgO influye en el tamaño de partícula y la relación de MgO utilizada, siendo el mejor tratamiento ZM 1 %. Este estudio contribuye al desarrollo de nuevos agentes antimicrobianos para combatir la creciente resistencia bacteriana.
creator: Miramontes Escobar Herenia Adilene
creator: Ruvalcaba-Díaz Betsy Krisel
creator: Sánchez Burgos Jorge Alberto
creator: Suresh Ghotekar
creator: Mamoun Fellah
creator: Pérez-Larios Alejandro
rights: Copyright (c) 2025 Miramontes Escobar Herenia Adilene, Ruvalcaba-Díaz Betsy Krisel, Sánchez Burgos Jorge Alberto, Suresh Ghotekar, Mamoun Fellah, Pérez-Larios Alejandro http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2475
ending page: e2475
doi: 10.29356/jmcs.v70i1.2475

Tri-Organotin(IV) Coordination Compounds Derived from a Cholesteryl Dithiophosphonate Ligand. Synthesis, Characterization, Structure, and Antibacterial Evaluation
type: item
description: Among the dithio-organophosphorus metal coordination compounds, dithiophosphonates have received significantly less attention than dithiophosphates and dithiophosphinates. This is partly due to the inherent difficulties in synthesizing phosphonates. Herein, we report the synthesis and characterization of four new organotin(IV) dithiophosphonate coordination compounds, bearing an O-cholesteryl substituent on phosphorus: [Me3Sn{S2P(O-cholesteryl)(4-MeOC6H4)}] (2), [Bu3Sn{S2P(O-cholesteryl)(4-MeOC6H4)}] (3), [Cy3Sn{S2P(O-cholesteryl)(4-MeOC6H4)}] (4), [Ph3Sn{S2P(O-cholesteryl)(4-MeOC6H4)}] (5). These compounds were obtained through the reaction between the triethylammonium salt of O-3-b-cholest-5-en-3-yl)(4-methoxyphenyl)dithiophosphonate (1) and the corresponding triorganotin(IV) chlorides. The compounds were characterized using elemental analysis, IR spectroscopy, and NMR spectroscopy (1H, 13C, 31P, and 119Sn). Infrared spectra (solid-state) suggest that the Sn(IV) is coordinated in an anisobidentate mode. In solution, the 119Sn NMR chemical shifts indicate tetracoordination for 2 and 4 and pentacoordination for 3 and 5. Single-crystal X-ray analysis of 5 revealed an anisobidentate coordination mode of the dithiophosphonate and a highly distorted trigonal bipyramidal geometry around Sn(IV), closer to a trigonal bipyramid than to a square pyramid. The phosphorus atom is chiral and adopts the relative configuration R. The antibacterial test indicates that compound 5 exhibits antibacterial activity, while the others show no inhibition against any of the bacterial strains used. Resumen. Dentro de los compuestos metálicos de coordinación conteniendo ligantes ditio-organofosforados, los ditiofosfonatos han recibido significativamente mucha menos atención que los bien estudiados ditiofosfinatos y ditiofosfatos. Lo anterior es parcialmente debido a las inherentes mayores dificultades sintéticas de los ditiofosfonatos. En esta investigación informamos la síntesis y caracteriz…
creator: Perla Román-Bravo
creator: Gabriela Vargas-Pineda
creator: Fernando Carvajal-Román
creator: Marcela López-Cardoso
creator: Macdiel Acevedo-Quiroz
creator: Patricia Alvarez-Fitz
creator: Raymundo Cea Olivares
rights: Copyright (c) 2026 Perla Román-Bravo, Gabriela Vargas-Pineda, Fernando Carvajal-Román, Marcela López-Cardoso, Macdiel Acevedo-Quiroz, Patricia Alvarez-Fitz, Raymundo Cea Olivares http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2489
ending page: e2489
doi: 10.29356/jmcs.v70i1.2489

Influence of Fluorine Substitution on π-π Stacking and Molecular Packing in Schiff Base Cocrystals
type: item
description: In this study, we investigate the role of fluorine atom positioning in the supramolecular organization, π-π stacking interactions, and molecular packing of Schiff base cocrystals. Three cocrystals, each containing (E)-N-(trifluoroaniline)-1-(4-pyridinyl)-methanimine with p-dimethylaminobenzoic acid, were synthesized with fluorine atoms positioned at different sites on the aromatic rings (2,3,4; 2,4,5; and 3,4,5). IR spectroscopy confirmed the formation of cocrystals, highlighting the presence of strong O−H···N hydrogen bonds. Crystal structure analysis revealed that fluorination at the 2,3,4 positions led to parallel molecular packing, whereas fluorination at the 2,4,5 and 3,4,5 positions resulted in oblique-angle packing. Hirshfeld surface analysis and density functional theory (DFT) calculations demonstrated that π-π interactions, particularly between the pyridine and trifluorinated aromatic rings, are energetically significant and often surpass the strength of hydrogen bonds. These findings underscore the importance of fluorine atom positioning in determining the molecular packing and provide valuable insights into the design of cocrystals through the strategic manipulation of intermolecular forces. Resumen. En este estudio investigamos el papel de la posición de los átomos de flúor en la organización supramolecular, las interacciones de apilamiento π-π y el empaquetamiento molecular de cocristales de una base de Schiff. Tres cocristales, cada uno conteniendo (E)-N-(trifluoroanilina)-1-(4-piridinil)-metanimina con ácido p-dimetilaminobenzóico, fueron sintetizados con átomos de flúor posicionados en diferentes sitios de los anillos aromáticos (2,3,4; 2,4,5; y 3,4,5). La espectroscopía IR confirmó la formación de cocristales, destacando la presencia de fuertes enlaces de hidrógeno O−H···N. El análisis de las estructuras cristalinas reveló que el patrón de fluoración en las posiciones 2,3,4 condujo a un empaquetamiento molecular paralelo, mientras que la fluoración …
creator: Mónica Hernández-Vergara
creator: Addi Dana Sánchez-Pacheco
creator: Simón Hernández-Ortega
creator: Jesús Valdés-Martínez
rights: Copyright (c) 2026 Mónica Hernández-Vergara, Addi Dana Sánchez-Pacheco, Simón Hernández-Ortega, Jesús Valdés-Martínez http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2508
ending page: e2508
doi: 10.29356/jmcs.v70i1.2508

Phytochemical Characterization and Evaluation of Sedum sediforme Extracts as Potential β-lactamase Inhibitors: An In vitro and In Silico Study
type: item
description: Abstract. This study investigated the flavonoid content and β-lactamase inhibitory activity of three Sedum sediforme extracts: crude (CrE), chloroform (ChE), and ethyl acetate (EAe). Total flavonoids were quantified using AlCl3 complexation, and HPLC analysis revealed quercetin (36.52 %) and gallic acid (24.11 %) as the predominant compounds in CrE. Enzymatic assays showed that CrE exhibited the highest β-lactamase inhibition, followed by ChE and EAe. In addition, an in silico analysis was conducted to explore the molecular interactions between phenolic compounds from S. sediforme and various β-lactamase enzymes. Seventeen phenolic constituents were identified by HPLC, with notable levels of caffeic acid (6.65 %), hesperetin (6.17 %), syringic acid (5.47 %), kaempferol (4.05 %), and rutin (3.83 %). Three-dimensional structures of these compounds were obtained from PubChem, optimized using Avogadro, and docked against four β-lactamase targets—TEM-1 (PDB: 1NYM), NDM-1 (PDB: 4EXS), AmpC (PDB: 1C3B), and OXA-48 (PDB: 7KHQ)—via AMDock. Docking results revealed strong binding affinities, including quercetin with TEM-1 (–8.9 kcal/mol), rutin with AmpC (–9.3 kcal/mol) and NDM-1 (–6.79 kcal/mol), and gallic acid with OXA-48 (–7.45 kcal/mol). Interaction profiling using BIOVIA Discovery Studio confirmed hydrogen bonding, hydrophobic interactions, and steric complementarity. A significant correlation was found between compound concentration and binding energy for TEM-1 (p = 0.023) and AmpC (p = 0.010). Pharmacokinetic predictions from Swiss ADME showed that quercetin and gallic acid satisfy Lipinski’s Rule of Five, indicating good oral bioavailability, whereas rutin does not. BOILED-Egg analysis predicted blood–brain barrier permeability for quercetin and gallic acid. Toxicity predictions using ProTox-II revealed potential organ-specific toxicities among top ligands. Resumen. En este estudio se investigó el contenido de flavonoides y la actividad inhibidora en β-lactamasas de …
creator: Boussoualim Naouel
creator: Krache Imane
creator: Trabsa Hayat
creator: Kara Anfal
creator: Louamen Choukrane
creator: Manallah Rahma
creator: Benguerba Yacine
rights: Copyright (c) 2025 Boussoualim Naouel, Krache Imane, Trabsa Hayat, Kara Anfal, Louamen Choukrane, Manallah Rahma, Benguerba Yacine http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-01-01
publication date: 2026-01-01
starting page: e2525
ending page: e2525
doi: 10.29356/jmcs.v70i1.2525

Size-Specific Synthesis and Biological Evaluation of Silver Nanoparticles: A Computational and Experimental Integration
type: item
description: During the last years, nanomaterials, such as silver nanoparticles (AgNPs), have revolutionized various areas due to their antimicrobial properties. However, their impact on human health in the short, medium, and long term has yet to be fully understood due to the variability in their sizes and the lack of standards that define a specific size and their biological impact. Specialized software can help develop mathematical models and predict the conditions necessary to produce AgNPs of a controlled size. These tools complement experimental techniques, facilitating physical-chemical characterization and contributing to a more precise regulation and safe use of AgNPs in various applications. This study aimed to determine the optimal conditions for the chemical synthesis of AgNPs of different sizes through the design of experiments (DOE) to optimize the synthesis conditions and to evaluate their effects in the NIH-3T3 cell line. A 24 DOE was carried out, varying the temperature, reaction time, concentration of the precursor agent, and concentration of the reducing agent, using the nanoparticle size as a response variable supported by the MiePlot software. AgNPs were characterized by ultraviolet-visible light absorption spectroscopy, dynamic light scattering, and transmission electron microscopy. It was possible to synthesize and characterize the AgNPs with a predominant size of 60 nm, which conditions were also complemented with the MiePlot software. It was found that temperature and the concentration of reducing agents influence nanoparticle size and that the smaller the nanoparticle, the more significant toxicity they exhibit in NIH-3T3 cells. The present study shows the value of the complementary use of computational tools like MiePlot integrated with experimental methods for the size-specific synthesis of AgNPs. These findings provide a reference point for comparing and predicting the biological effects of similarly sized AgNPs, offering a broader framework for thei…
creator: Aída J. Velarde-Salcedo
creator: Karen O Ruiz-Reyes
creator: Gabriela Navarro-Tovar
creator: Carmen Gonzalez
rights: Copyright (c) 2026 Aída J. Velarde-Salcedo, Karen O Ruiz-Reyes, Gabriela Navarro-Tovar, Carmen Gonzalez http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2410
ending page: e2410
doi: 10.29356/jmcs.v70i1.2410

Synthesis of Octahedral Bipyramid TiO₂ Nanoparticles Free of Growth Agent as Congo Red Photocatalyst
type: item
description: In this work, we prepared anatase TiO2 nanoparticles with octahedral bipyramidal shapes with different (001)/(101) ratio facets as photocatalysts for Congo red (CR) dye. The general method to prepare such nano-TiO2 photocatalysts involves a peptization step with HNO3 and hydrothermal treatment at different temperatures, making this a facile and friendly method to controllably synthesize TiO2 with octahedral bipyramidal shape and tuned (001)/(101) ratio free of capping surfactants or direction agent like HF. The photocatalytic activity of these anatase TiO2 nanoparticles was evaluated through CR dye photodegradation under UV light illumination. It was shown that all samples can present a photocatalytic activity, and the degradation efficiency and kinetics depend on nanoparticle size and (001)/(101) ratio facets. Resumen. En este trabajo preparamos nanopartículas de TiO2 anatasa con forma bipiramidal octaédrica con diferentes facetas de proporción (001)/(101) como fotocatalizadores para el colorante Congo rojo (CR). El método general parapreparar dichos nano-fotocatalizadores de TiO2 implica un paso de peptización con HNO3 y un tratamiento hidrotermal a diferentes temperaturas, lo que hace de este un método fácil y amigable para sintetizar de manera controlada TiO2 con forma bipiramidal octaédrica y proporción ajustada (001)/(101) libre de surfactantes de recubrimiento o agentes de dirección como HF. La actividad fotocatalítica de estas nanopartículas de TiO2 anatasa se evaluó a través de la fotodegradación del colorante RC bajo iluminación de luz UV. Se demostró que todas las muestras pueden presentar una actividad fotocatalítica y la eficiencia de degradación y la cinética dependen del tamaño de las nanopartículas y de la proporción de facetas (001)/(101).
creator: Paulina Vargas-Rodriguez
creator: Carla Marlene Toledo Bonola
creator: Carolina Silva-Carrillo
creator: Brenda Cecilia Alcantar-Velazquez
creator: Rosa-María Félix-Navarro
creator: Rosalio Velarde-Barraza
creator: Edgar-Alonso Reynoso-Soto
rights: Copyright (c) 2026 Paulina Vargas-Rodriguez, Carla Marlene Toledo Bonola, Carolina Silva-Carrillo, Brenda Cecilia Alcantar-Velazquez, Rosa-María Félix-Navarro, Rosalio Velarde-Barraza, Edgar-Alonso Reynoso-Soto http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2436
ending page: e2436
doi: 10.29356/jmcs.v70i1.2436

Synthesis and Catalytic Application of Homoleptic Bis(triazol-5-ylidene)-Silver Complexes
type: item
description: Treatment of 1,2,3-triazolium salts with equimolar amounts of silver oxide (in presence of potassium hexafluorophosphate) generates a series of bis-triazol-5-ylidene silver(I) complexes with the general formula [(MIC)2Ag]PF6 (MIC = triazol-5-ylidene). The new biscarbenic species have been fully characterized including FT-IR and NMR spectroscopies, melting points, and elemental analysis. The catalytic performance of the silver(I) complexes in the solvent free KA2 (ketone-alkyne-amine) coupling for the generation of propargylic amines and the A3 coupling (aldehyde, amine, alkyne) is investigated. Resumen. El tratamiento de sales de 1,2,3-triazolio con cantidades equimolares de óxido de plata (en presencia de hexafluorofosfato de potasio), genera una serie de complejos de plata soportados por bis(triazol-5-ilidenos) con formula general [(MIC)2Ag]PF6 (MIC = triazol-5-ilideno). Los nuevos complejos de plata(I) han sido completamente caracterizados mediante espectroscopías de FT-IR y RMN, así como puntos de fusión y análisis elementales. El potencial catalítico de los biscarbenos de plata en el acoplamiento KA2 (cetona, aldehído, alquino) para la generación de aminas propargílicas así como el acoplamiento A3 (aldehído, amina, alquino), es investigado.
creator: Hugo Omar Quezada-Márquez
creator: Emmanuel Campos-Dominguez
creator: Leonardo Kaleb Méndez-Jiménez
creator: Daniel Mendoza-Espinosa
rights: Copyright (c) 2026 Hugo Omar Quezada-Márquez, Emmanuel Campos-Dominguez, Leonardo Kaleb Méndez-Jiménez, Daniel Mendoza-Espinosa http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2518
ending page: e2518
doi: 10.29356/jmcs.v70i1.2518

Molecular Dynamics Study to Analyze the Interactions between Sodium Alginate and CBD
type: item
description: Sodium alginate is a hydrophilic polysaccharide, widely recognized for its biocompatibility, making it suitable for applications in the human body. Its growing use as a matrix for encapsulating hydrophobic molecules and in controlled drug release highlights its research potential. Cannabinoids, on the other hand, are generally hydrophobic; cannabidiol (CBD) stands out for its therapeutic properties, attracting significant interest in recent years. In this study, molecular dynamics simulations were used to investigate the interactions between sodium alginate and CBD in water and a simulated CaCl₂ saline solution to assess their affinity and the potential of alginate as an encapsulation matrix. Both systems were evaluated under identical simulation conditions to observe interactions within the CBD-SA complexes. Molecular parameterization employed the OPLS-AA force field, with simulations running for 100 ns. The results revealed significant interactions in saline and aqueous environments, with differences suggesting the optimal physiological medium for CBD encapsulation. Overall, sodium alginate showed limitations in fully encapsulated CBD due to inconsistent interactions, although cases are highlighted where alginate combined with other compounds showed promising results. Resumen. El alginato de sodio, es un polisacárido hidrofílico, ampliamente reconocido por su biocompatibilidad, lo que lo hace adecuado para aplicaciones en el cuerpo humano. Su creciente uso como matriz para encapsular moléculas hidrofóbicas y en la liberación controlada de fármacos destaca su potencial de investigación. Los cannabinoides, en cambio, son generalmente hidrofóbicos; el cannabidiol (CBD) sobresale por sus propiedades terapéuticas, atrayendo gran interés en los últimos años. En este estudio, se usaron simulaciones de dinámica molecular para investigar las interacciones entre el alginato de sodio y el CBD en agua y en una solución salina simulada de CaCl₂, con el fin de evaluar su afinid…
creator: Erik De La Rosa Montelongo
creator: Lucero Rosales-Marines
creator: Lorena Farías-Cepeda
creator: Juan De La Peña-Zúñiga
rights: Copyright (c) 2026 Erik De La Rosa Montelongo, Lucero Rosales-Marines, Lorena Farías-Cepeda, Juan De La Peña-Zúñiga http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2440
ending page: e2440
doi: 10.29356/jmcs.v70i1.2440

Hemicyanine Compounds as Versatile Tools in Chemical Biology and Medicinal Chemistry
type: item
description: Hemicyanine dyes comprise a versatile family of donor–π–acceptor (D–π–A) chromophores, characterized by tunable intramolecular charge-transfer transitions that yield strong visible-to-near-infrared absorption and emission. Their modular scaffolds, high molar absorptivity, and environment-responsive photophysics have made them indispensable in fluorescence imaging, photoacoustic sensing, and the development of theranostic probes. Over the past two decades, structural refinements, including the incorporation of heterocyclic donors, polymethine elongation, and acceptor substitution, have expanded the spectral range into the NIR-II region, improved photostability, and enabled ratiometric and activatable response mechanisms. In this review, we summarize fundamental photophysical principles, structural determinants of optical behavior, and representative examples of hemicyanine derivatives that bridge chemistry and biology. Resumen. Los compuestos hemicianina constituyen una familia versátil de cromóforos donador–π–aceptor (D–π–A), caracterizados por transiciones de transferencia de carga intramolecular sintonizables que dan lugar a una intensa absorción y emisión en la región visible–infrarrojo cercano. Sus estructuras modulares, la alta absorbancia molar y una fotofísica sensible al entorno los han convertido en herramientas indispensables en bioimagen por fluorescencia, detección fotoacústica y desarrollo de sondas teranósticas. Durante las últimas dos décadas, las optimizaciones estructurales, incluida la incorporación de donadores heterocíclicos, la elongación del puente polimetínico y la sustitución en el aceptor, han extendido el intervalo espectral hasta la región NIR-II, mejorado la fotostabilidad y permitido mecanismos de respuesta ratiométrica y activable. En esta contribución se resumen los principios fotofísicos fundamentales, los determinantes estructurales del comportamiento óptico y ejemplos representativos de derivados de hemicianinas que conectan la quím…
creator: Juan F. Tamez-Fernández
creator: Pablo Rivera-Fuentes
rights: Copyright (c) 2026 Juan F. Tamez-Fernández, Pablo Rivera-Fuentes http://creativecommons.org/licenses/by-nc/4.0
license: http://creativecommons.org/licenses/by-nc/4.0
date: 2026-03-31
publication date: 2026-03-31
starting page: e2583
ending page: e2583
doi: 10.29356/jmcs.v70i1.2583