Chemoinformatics, an interdisciplinary field that combines chemistry and computer science, has emerged as a pivotal tool in drug discovery. By leveraging computational techniques and data analysis, chemoinformatics facilitates the understanding of chemical properties, molecular interactions, and biological activity. This paper explores the fundamental concepts of chemoinformatics, its applications in drug discovery, and the challenges faced in integrating these technologies into traditional workflows. Furthermore, we discuss future directions and the potential of chemoinformatics to revolutionize the pharmaceutical industry.
Nanomaterials, defined as materials with structures at the nanoscale (1-100 nm), have revolutionized various fields of chemistry through their unique properties and applications. This paper explores the innovations in nanomaterials, including synthesis methods, characterization techniques, and their diverse applications in areas such as drug delivery, catalysis, environmental remediation, and electronics. The potential of nanomaterials to address pressing global challenges is discussed, along with future directions and the implications of their use in modern chemistry.
Chemical fingerprinting has emerged as a powerful analytical tool for environmental monitoring, enabling the identification and quantification of complex mixtures of chemicals in various environmental matrices. This paper discusses recent advancements in analytical techniques used for chemical fingerprinting, including gas chromatography-mass spectrometry (GC-MS), liquid chromatography-mass spectrometry (LC-MS), and nuclear magnetic resonance (NMR) spectroscopy. We explore the applications of these techniques in environmental monitoring, particularly in tracking pollution sources, assessing ecosystem health, and ensuring compliance with environmental regulations. The paper also highlights future directions and challenges in the field of chemical fingerprinting.
The interplay between chemistry and art has been a subject of fascination for centuries, particularly in the study of pigments used in artistic works. This paper explores how chemical analysis enhances our understanding of historical and contemporary pigments, revealing insights into their composition, stability, and interaction with light. We discuss various analytical techniques, including spectroscopy, chromatography, and microscopy, that are employed to analyze pigments in artworks. The findings not only contribute to art conservation and restoration but also enrich our appreciation of the scientific principles underlying artistic expression.
Green chemistry aims to design chemical processes and products that minimize waste and reduce environmental impact. This paper explores sustainable approaches to chemical synthesis, highlighting key principles of green chemistry and showcasing innovative strategies that enhance efficiency and sustainability in chemical manufacturing. We discuss the use of renewable feedstocks, energy-efficient methods, and safer solvents, as well as the role of catalysis in promoting sustainable practices.
Green chemistry aims to design chemical products and processes that minimize hazardous substances and environmental impact. It integrates principles that promote sustainability, waste reduction, and energy efficiency. This paper explores the core principles of green chemistry, its industrial applications, and future challenges. By adopting green chemistry, industries can reduce pollution and enhance economic and environmental sustainability.
This study aims to evaluate the antioxidant capacity and polyphenol content in native maize varieties from Chiapas, Mexico. Maize (Zea mays L.) is a staple crop in the region, with numerous varieties differing in color, size, and genetic composition. These differences may affect their antioxidant properties and polyphenolic content. By analyzing both the antioxidant capacity (through DPPH and FRAP assays) and the polyphenol content (using the Folin-Ciocalteu method), this research identifies potential health benefits associated with the consumption of native maize varieties. Results from this study provide valuable insights into the nutritional and medicinal potential of Chiapas maize, which could inform dietary recommendations and agricultural practices in the region.
This study investigates the chemical composition and bioactivity of essential oils extracted from Lippia alba (commonly known as lemon verbena) and Aloysia citrodora (also known as lemon verbena). These aromatic plants, native to South America, have been traditionally used in folk medicine for their therapeutic properties. The essential oils were obtained through steam distillation, and their chemical composition was analyzed using gas chromatography-mass spectrometry (GC-MS). Additionally, the bioactivity of the essential oils was evaluated in terms of antimicrobial, antioxidant, and anti-inflammatory activities. The results provide insights into the potential applications of these essential oils in pharmaceuticals, food preservation, and cosmetics.
The Berberis genus, a widely distributed group of plants in the family Berberidaceae, is known for its diverse range of bioactive alkaloids, including berberine, palmatine, and berbamine. These compounds have gained significant attention due to their potential therapeutic applications in cancer treatment. This article aims to explore the anti-cancer potential of alkaloid-rich extracts from the Berberis genus through a combination of in silico and in vitro methodologies. Computational techniques, including molecular docking and quantitative structure-activity relationship (QSAR) modeling, were employed to predict the binding affinity and mechanism of action of these alkaloids against key cancer-related targets. In parallel, in vitro experiments were conducted to evaluate the cytotoxic effects of Berberis alkaloid extracts on various cancer cell lines. The findings suggest that Berberis-derived alkaloids exhibit promising anti-cancer activity, providing a foundation for further development of these compounds as potential chemotherapeutic agents.
Passiflora edulis, commonly known as passion fruit, is widely appreciated not only for its nutritional value but also for its potential therapeutic properties due to the presence of bioactive compounds. This study focuses on the characterization of flavonoids and phenolic acids in the leaves and fruits of Passiflora edulis through advanced chromatographic techniques and spectroscopic analysis. Using high-performance liquid chromatography (HPLC) coupled with mass spectrometry (MS), a comprehensive profile of flavonoids (such as quercetin, kaempferol, and rutin) and phenolic acids (including caffeic acid, chlorogenic acid, and ferulic acid) was developed. The antioxidant activities of these compounds were also evaluated using in vitro assays such as DPPH and ABTS radical scavenging tests. Our findings reveal a significant concentration of flavonoids and phenolic acids in both the leaves and fruits of Passiflora edulis, supporting their potential role in promoting health benefits and their application in nutraceuticals.
Tanacetum parthenium (L.) Schultz-Bip (Asteraceae) is widely distributed around the world. This plant has been used for centuries as a traditional herbal medicine for headache treatment. Previous evidence pointed out the relationship of this plant on vasoconstriction regulation. Therefore, the aim of this work was to evaluate the T. parthenium dichloromethane crude extract, the essential oil and three isolated compounds (reynosin, santamarin, and santin) against induced contractions by phenylephrine or serotonin, using isolated rat aorta rings model. The results obtained in this work showed that Tanacetum parthenium dichloromethane extract exhibited a noncompetitive inhibitory activity against contractions induced by serotonin and phenylephrine. But the essential oil did not inhibit phenylephrine contractions. Dichloromethane extract, and the isolated compounds santin, reynosin and santamarin showed a preference to antagonize the α1-adrenergic agonist phenylephrine. These results show that there is a preference for the components of the essential oil to antagonize serotonin receptors, whereas, the extract components show a preference for the adrenergic pathway, suggesting that both types of receptors are involved in the plant antagonistic vasoconstriction mechanism.
Coffee and cinnamon are products that are consumed globally as pleasant infusions at home and in restaurants. On the other hand, the muicle, although it is not distributed to the same degree as the previous ones, is widely used in the traditional medicine of Latin American peoples. This plant is consumed as an infusion to treat gastrointestinal affections and insomnia problems. Although initially the three infusions do not seem to be related as such, in the present work nanostructures were fabricated from their aqueous extracts with diameters of the order of the so-called quantum dots. Hydrothermal methods were evaluated for the manufacture of nanomaterials, while Dynamic Light Scattering (DLS) experiments were performed to establish the presence of these. A methodology friendly to the environment is described here, with which Cdots materials were manufactured from aqueous extracts of coffee, cinnamon, and muicle at low cost. In addition, optical properties of the manufactured nanomaterials were studied and the results showed that these fluorescent materiales could be used in the biomedical area as markers or contrast agents.
Due to the importance of Calendula officinalis L. as a medicinal plant extensively used in traditional medicine around the world, this study aimed to develop and standardize solid pharmaceutical forms (capsules and tablets) from granulated containing Calendula officinalis L. hydroethanolic extract (CoHEE), and outline the profile of dissolution and release of its phytochemical-pharmacological marker (flavonoids). The analyses of the granulated by Scanning Electron Microscopy (SEM) showed a mix of homogeneous granules of irregular and semi-spherical surfaces, with a predominance of sizes of 180-250 uM from 10 to 37%. The quality control of pharmaceutical forms, as the average weight, disintegration test, hardness and thickness were satisfactory according to specifications of the Brazilian Pharmacopoeia. The dissolution profiles of the capsules and the tablets were effective in both dissolution media, hydrochloric acid buffer and distilled water. The distilled water was more effective for the release of flavonoids, with maximum release level of 7.64 % (0.0013 mg/mL) for tablets. The hydrochloric acid buffer medium showed maximum release of 4.7% (0.0008 mg/mL) of flavonoids (capsules). Therefore, it is concluded that the methods employed to obtain the granulated with further achievement of capsules and tablets were effective for maintain a standard of quality and guarantee the dissolution profile and the release of the appropriate phytochemical-drug marker, and a possible standard pharmacological effect in terms of reproducibility and efficiency.
Lantana hirta and Croton ciliatogladulifer are two medicinal plants used in the ethnopharmacology of Oaxaca, Mexico. The present article describes the chemical composition of the essential oils from these plants and their inhibitory properties on Candida albicans. The principal constituents of the essential oil from L. hirta were caryophyllene oxide (32.1%) bornylacetate (17.5%) and β-caryophyllene (9.4%). On the other hand, those of C. ciliatoglandulifer were caryophyllene oxide (54.8%), cubenol (6.3%) and β-caryophyllene (5.7%). The essential oil of L. hirta oil showed a slight inhibitory activity (MIC, 4.5±0.112 mg mL-1) on C. albicans whereas that of C. ciliatoglandulifer exerted a moderated inhibition on the fungus (MIC, 0.5±0.072 mg mL-1). Under the assayed experimental conditions, caryophyllene oxide showed an outstanding anti-C. albicans activity (MIC, 0.081±0.002 mg mL-1) when compared with fluconazole (MIC, 0.256±0.068 mg mL-1).
The carotid bodies (CB), profusely irrigated and innervated, are made up of chemoreceptor cells (glomus cells) and sustentacular cells. These peripheral arterial chemoreceptors are able to sense the levels of pO2, pH, pCO2, and glucose in the arterial blood, whose sensory information is relayed to brainstem neurons to regulate ventilatory, circulatory and endocrine responses. Regarding the ability of CB to detect pO2, it is postulated that hypoxia alters the levels of reactive oxygen species (ROS) in the mitochondria, affecting the glutathione system [reduced glutathione (GSH) and the oxidized one (GSSG)], causing modifications in the GSH/GSSG ratio, and the redox state in the mitochondria of the CB glomus cells. The aim of this work was to quantify the glutathione hypothesis of redox status through GSH and GSSG in the mitochondria isolated from the CB cells in healthy Wistar rats. The CB cells mitocondria isolated by the modified method by Saavedra-Molina (1997), and the glutathione levels were determined by spectrophotometry. The data obtained were: 11.45 ± 0.29 mM for total glutathione, 4.38 ± 0.10 mM for GSSG, and 7.07 ± 0.16 mM for GSH, so the index was 1.61 ± 0.17. The present Findings conclude that the reduced glutathione is higher than the oxided one, which means that the antioxidant mechanism in the mitochondria of the carotid chemoreceptors is preferred.
