JBCS

This work describes a new, simple, and green solvent- and metal-free method for the C-C bond formation reaction between sodium 1,2-naphthoquinone-4-sulfonate and tertiary anilines via mechanochemistry. Additionally, a computational study was carried out to investigate the mechanism.

An effective domino vinylogous Michael-cyclization has been established for the synthesis of multifunctionalized cyclohexa-1,3-dienes with strong growth inhibition on Fusarium graminearum (F. graminearum).

A non-destructive, quick analytical method that employs a portable near-infrared (NIR) spectrophotometer and data-driven soft independent modeling of class analogy (DD-SIMCA) for freshness authentication of quail eggs under controlled storage conditions.

Machine learning combined with virtual screening has enabled the discovery of a significant variety of molecules exhibiting high affinity with shikimate kinase. Subsequent evaluation through molecular dynamics and free energy calculations has facilitated the identification of potential inhibitor candidates.

Analysis of screening and quantification for 118 pesticides by ultra-high performance liquid chromatography in combination with high resolution mass spectrometry (UPLC-Orbitrap MS).

Mixture of marine diesel oil with aviation kerosene undergoes accelerated oxidation in an oven to analyze its physical-chemical properties to assess whether it can be used on Brazilian navy ships without harm.

Potassium is essential for plant growth and productivity, being necessary to control it in soil. Simple, low-cost, and portable methods for available potassium quantification in soil are required for a rapid response to decide on supply correct K doses.

Synthesis and inhibitory activity against main protease of SARS-CoV-2 of AZT (3'-azido-3'-deoxythymidine) 1,2,3-triazole derivatives supported by molecular dynamics.

The identification and quantification of sources contributing to measurement uncertainties were evaluated using single-particle inductively coupled plasma mass spectrometry (sp-ICP-MS) with National Institute of Standards and Technology (NIST) reference material RM 8017.

Spectrophotometric study of the interaction between quercetin and tannic acid with model membranes of healthy and cancer cells.

Solar thermal heating is an efficient and environmentally friendly method of heat generation, as it does not produce byproducts typically associated with artificial heating processes.

Six non-cyanogenic cyanoglycosides, three of which are new, were isolated from the roots of Cordia trichotoma. The new highlighted compound (3) showed a promising α-glycosidase inhibitory activity.

Our study on sustainable water management for steam generation in sugarcane biorefineries utilized unsupervised methods such as principal component analysis (PCA) and minimum spanning tree (MST) to assess water quality, providing valuable insights for optimizing bioenergy efficiency and sustainability.

Oligo(ethylene glycol) (OEG) can play several roles in sensing systems. The OEG-containing sensing systems are shown to be advantageous as the OEG improves their performance in the analysis of distinct analytes by different techniques.

Development of a one-pot methodology for the synthesis of aryl azides maintaining anilines as a molecular framework without the need to use sodium azide.

A sustainable hybrid material composed of chitosan biopolymer incorporated with an iron complex was developed for the effective detection of heterocyclic aromatic amines (HAAs), which are possible carcinogens formed during food heat processing.

Crotalaria juncea and Crotalaria ochroleuca were cultivated in vitro and the extracts from the callus exhibited high toxicity against Meloidogyne javanica. This effect could be phenolic compounds, alkaloids and flavonoids contents identified in these extracts.

Determination of bisphenol A in urine samples using automated solid-phase extraction followed by liquid chromatography-tandem mass spectroscopy (LC-MS/MS) analysis.

The synthesis of two poly(lactic acid)-b-poly(ethylene glycol) (PLA-b-PEG) block copolymers using the Ugi multicomponent reaction is described. Folic acid and fluorescein frameworks were introduced as targeting and fluorescent marker aiming further application in the controlled release of drugs for cancer therapy.

This study presents the synthesis of acridone derivatives and their evaluation as photosystem II inhibitors and herbicides. Among the tested compounds, acridin-9(10H)-one demonstrated the best photosystem II (PSII) inhibition, while 2-chloroacridin-9(10H)-one and 9(10H)-acridone-4-carboxylic acid exhibited herbicidal activity against Amaranthus species. Molecular docking analysis indicated that carbonyl groups and aromatic substituents are essential for ligand interactions, providing insights for designing new bioactive scaffolds.

Application of glycerol as a fuel in conventional and biological (enzymatic and microbial) fuel cells, and their main products.

Evaluation of chemodiversity, antioxidant and antiglycant activities of Spondias tuberosa leaves during different stages of plant development.

Detection method of higenamine in food and urine and metabolism study.

The conformation of polymer chains in solution and interactions with additional components can be studied computationally to improve electrospinning parameters.

Antimicrobial and antibiofilm activities of the essential oil from the inflorescence of Etlingera elatior (Zingiberaceae) and its main constituents (dodecanal and 1-dodecanol).

This study developed a simple, fast and low-cost method for the quantification of total phenolic content (TPC) in extra virgin olive oil samples (EVOOs), using an optimized colorimetric reaction with the Folin-Ciocalteu reagent and the acquisition of digital images with a smartphone.

Study of the lipid quality and cytokines interleukin-10 (IL-10) and transforming growth factor-beta 1 (TGF-β1) of ice cream containing human milk.

2,5-Diketopiperazine-derived quinazolinones are key structures in fumiquinazoline alkaloids, known by their pyrazino[1,2-b]quinazoline-3,6-dione framework and notable biological activities. In this study, we synthesized 19 novel fumiquinazoline-like analogs, divided into three series (A, B, and C), with a modified pyrazino-pyrido-pyrimidinone core, offering potential for further biological research.

Machine learning and multivariate statistical analyses identified molecular features correlated with biological activity of phenylpropanoid against Trypanosoma cruzi.

Residual biomass from the Legal Amazon was used in a slow pyrolysis process. The biochars showed potential for carbon sequestration and contaminant adsorption, while bio-oils, containing phenols and furans, could serve as raw materials in the chemical industry.

This study explores 3D printable resin blends with terpene additives, yielding fifteen formulations. These resins hold promise for drug delivery and the fabrication of biomedical devices.

The synthesis, antileishmanial assay, and in silico analysis of twenty 2-hydroxy-3-(1,2,3-triazolyl)propyl vanillin derivatives are reported.

Acyl pyrenes as models for asphaltene aggregation.

Twenty three thiophene[2,3-d]pyrimidine derivatives were synthesized by a 3-step reaction, and the bioactivity of the synthesized compounds was evaluated by breast cancer cell MDA-MB-231.

Experimental steps: adsorption of the dyes used (methylene blue (MB) and methyl orange (MO)) present in the solution in thermoplastic starch films (TPS) and TPS/kraft lignin (TPS-KL) (a), followed by desorption of the dyes present in the films in water (b), and subsequent remediation with exposure to photodegradation of the dyes desorbed in water (c).

The Brazilian pitanga fruits exhibited volatile compounds such as esters, terpenes and aldehydes, with β-elemene, E-germacrene and ethyl acetate being the most abundant. Additionally, 124 polar and non-polar metabolites were identified, notably including fatty acids, sugars and terpenes, which possess potential health-promoting effects.

The study aimed to degrade ammonia nitrogen and organic matter in effluent generated at a port terminal used for fertilizer storage. The results indicated removal of 99.99% of N-NH₃ and 75.60% of total organic carbon (TOC).

MALDI(+)TOF MS (matrix-assisted laser-desorption and ionization time-of-flight mass spectrometry) for the rapid detection of cocaine (COC), benzoylecgonine (BZE), and ecgonine methyl ester (EME) in hair strands.

Efficient production of citronellyl esters through esterification and transesterification catalyzed by Novozym^®435 via linear acylating agents (C3-C18) with kinetic modelling, product isolation and reuse of the biocatalyst.

Four potential selective monoamine oxidase B (MAO-B) inhibitors were identified by screening compounds in the chemical space of molecular databases using in silico techniques.

Double calcium iron phosphate [Ca₉Fe(PO₄)₇] obtained from chicken eggshell.

Chemical interactions of chitosan and cellulose-nanofiber/chitosan films with silver nanoparticles investigated through surface-enhanced Raman scattering (SERS) spectroscopy.

The gold(III) Schiff base complex reduces the expression of the AKT1 gene, leading to an increase in the expression of the apoptosis-promoting gene Bak1. In contrast, cisplatin increases the expression of the AKT1 gene, followed by an increase in the anti-apoptotic Bclx gene, resulting in treatment resistance.

New fluorophore naphthoxazoles were synthesized from lapachol and investigated for their potential application as deoxyribonucleic acid (DNA) fluorescent probes.

Development of a nanoemulsion based on kefiran and coriander essential oil to stabilize the essential oil compounds and preserve their antimicrobial properties to increase the stability of ricotta cheese.

We present a collector-detector device for the electrochemical analysis of explosives in post-explosion residues fabricated by a desktop 3D printer and a conductive filament made of recycled polylactic acid (PLA), carbon black and graphite.

We developed a rapid and efficient thin-layer chromatography method for detecting homoisoflavones in Polygonatum odoratum (Mill.) Druce, which exhibits extremely high sensitivity, specificity, and stability.

This work consists of proposing simple and selective routes for chitosan-based blends with fish collagen and Aloe vera exudate.

Aqueous extracts of Hymenaea courbaril are effective corrosion inhibitors, especially the fractions from the leaves and fruit pulp due to their higher content of phenolics.

This study proposes a method for the simultaneous determination of 31 phenolic compounds by hydrophilic interaction chromatography coupled with triple quadrupole mass spectrometry (HILIC-MS/MS) and its application in residues from the beverage industry.

Development and validation of lisdexamfetamine using liquid chromatography-tandem mass spectrometry (LC-MS/MS) system applied for pharmacokinetic studies.

CO₂ adsorption on nanocomposite pollen-derived carbons.

Levan produced by Gluconobacter cerinus was structurally characterized and evaluated for its antioxidant activity.

A novel deep eutectic solvent has excellent extraction effect on hesperidin, due to its strong dissolving capacity, easy formation of
H-bonds and van der Waals forces with hesperidin.

New thio-functionalized resins have the capacity for the confinement of gold nanoparticles and the catalytic reduction of nitro aromatics.

The chemical profile of Artemisia lancea essential oil detected by gas chromatography-mass spectrometry (GC-MS) and its allelopathic influence on seedling growth of Amaranthus retroflexus and Setaria viridis.