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  • 3.6
    Impact Factor
  • 4.8
    CiteScore
  • 20 days
    Submission to First Decision
  • 6 days
    Acceptance to Publication

Compounds

Compounds is an international, peer-reviewed, open access journal on chemical compounds published quarterly online by MDPI.
  • Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
  • High Visibility: indexed within ESCI (Web of Science), Scopus and other databases.
  • Journal Rank: JCR - Q2 (Chemistry, Multidisciplinary) / CiteScore - Q2 (Biochemistry, Genetics and Molecular Biology (miscellaneous))
  • Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 19.5 days after submission; acceptance to publication is undertaken in 5.9 days (median values for papers published in this journal in the first half of 2026).
  • Recognition of Reviewers: Reviewers whose reports are timely and of high quality receive an APC discount voucher for a future publication in an MDPI journal. Become a reviewer.
  • Compounds is a companion journal of Metals.

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All Articles (255)

  • Article
  • Open Access

Exploratory Chemical Fingerprinting of the Pulp and Peel of Selenicereus setaceus by Positive-Ion Mode Paper Spray Mass Spectrometry

  • Vinicius Serafim Coelho,
  • Bruna Vieira Nunes and
  • Raquel Linhares Bello de Araújo
  • + 9 authors

Selenicereus setaceus a native cactus species from the Brazilian Cerrado, remains largely unexplored with respect to its phytochemical composition. This study investigated the positive-ion chemical fingerprints of the pulp and peel of S. setaceus collected from two Brazilian regions using paper spray mass spectrometry (PS-MS), and evaluated the influence of three extraction strategies (maceration, ultrasound-assisted extraction, and Ultra-Turrax homogenization) on the detected chemical profiles. The commercially cultivated Selenicereus undatus was included for comparative purposes. Twenty-five compounds were tentatively annotated based on precursor ions, tandem mass spectrometry (MS/MS) fragmentation patterns, and comparison with previously reported data. Betalains represented the predominant class of detected metabolites, particularly in the peel, where several decarboxylated and dehydrogenated betacyanin derivatives were observed. Flavonoids, phenylpropanoids, benzoic acid derivatives, oligosaccharides, and glycosides were also tentatively assigned. Ions compatible with hesperidin, protocatechuic acid-O-hexoside, and paeoniflorin were detected in S. setaceus, expanding the phytochemical information currently available for this underexplored species. The peel of fruits collected in the Federal District exhibited the highest number of tentatively annotated compounds, highlighting its potential as a source of bioactive metabolites for future valorization. Exploratory multivariate analysis further revealed differences between peel and pulp fingerprints and among extraction procedures, although the overall analytical profiles were broadly comparable. Because the study was restricted to positive-ion PS-MS and compound assignments were based on tentative annotations, the reported fingerprints should be interpreted as exploratory rather than comprehensive metabolomic profiles. Nevertheless, the results demonstrate that positive-ion PS-MS provides a rapid and effective platform for the chemical fingerprinting of underexplored Brazilian native fruits and contributes new phytochemical information on S. setaceus.

Compounds

6 November 2026

Representative full-scan mass spectrum showing the selected precursor ion at m/z 505 ([M + H]+).
  • Article
  • Open Access

The parameters that determine practical applications of oxide ferrimagnets are the values of saturation magnetizations and the magnitudes and signs of the magnetocrystalline anisotropy fields. Measuring magnetocrystalline anisotropy fields using ferromagnetic resonance (FMR) on single-crystal or textured polycrystalline hexaferrite samples is straightforward. However, these methods are not applicable to hexaferrite, which are typically synthesized as macroscopically magnetically isotropic polycrystalline or powder samples. This paper discusses two methods for calculating the components of the permeability tensor of polycrystalline (or powder) hexaferrites within the independent grain approach. The methods are described for experimentally determining the magnitudes and signs of magnetocrystalline anisotropy fields and magnetomechanical ratios for such materials, based on FMR curves measured at various frequencies. The proposed method is illustrated by the results of an FMR study of a Y-type polycrystalline Ba2Ni2−xCuxFe12O22 (0.0 ≤ x ≤ 2.0) system, synthesized using a standard ceramic method. The measurements were performed on spherical samples in the frequency range of 36–50 GHz. The method allows one to evaluate the magnetocrystalline anisotropy fields and magnetomechanical ratios of both the target Y-phase and impurity phases. The phase composition estimates obtained from FMR data were compared with the results of X-ray phase analysis. It has been shown that up to x = 1.8, these materials are ferroxplana-type hexaferrites, while the hexaferrite Ba2Cu2Fe12O22 exhibits the easy-axis type of magnetocrystalline anisotropy.

Compounds

13 October 2026

  • Review
  • Open Access

Spodoptera frugiperda is a polyphagous pest of global significance, causing substantial yield losses in maize and other staple crops, which has intensified the search for sustainable alternatives to synthetic insecticides. The Asteraceae family has emerged as a promising source of botanical insecticides, but a comprehensive synthesis of its true potential including biological efficacy, chemical basis and acute oral toxicity in mammalian models remains lacking. This review critically examines the biological activity of Asteraceae extracts against S. frugiperda from the 2021 to 2026 period and their phytochemical profiles and acute oral toxicity in mammals. Our analysis reveals three major findings. First, essential oils exhibit the highest insecticidal potency, but they also present the most concerning mammalian acute oral toxicity profiles. Second, although 57 major constituents—including terpenoids, phenolic acids, flavonoids, and fatty acid derivatives— have been identified, fewer than 13% have been individually evaluated against this pest, introducing substantial uncertainty in attributing activity to specific compounds. Third, most mammalian toxicity studies report only limited LD50 thresholds (e.g., >2000 mg kg−1 BW), preventing accurate GHS classification and regulatory positioning. Therefore, realising the potential of Asteraceae based insecticides requires not only the discovery of bioactive extracts but also rigorous, integrated toxicity and phytochemical characterisation.

Compounds

10 October 2026

  • Article
  • Open Access

Medicinal plants are valuable sources of structurally diverse bioactive compounds with potential antiviral properties, although their chemical complexity complicates candidate prioritization. This study developed a hierarchical computational framework to prioritize metabolites from Uvaria chamae against Ebola virus glycoprotein GP1–GP2 (PDB ID: 5F1B) and SARS-CoV-2 papain-like protease PLpro (PDB ID: 7CMD). A library of 105 phytochemicals was evaluated using statistical analyses, molecular docking, Prime MM-GBSA, ADMET and medicinal chemistry assessments, induced-fit docking, 100 ns molecular dynamics simulations, and conceptual DFT. Although overall docking-score distributions did not differ significantly among plant organs, top-ranked candidates were predominantly associated with roots and stems, while flavonoids, acetogenins, and phenolics showed the most favorable profiles. Proanthocyanidin emerged as the leading Ebola GP candidate (Prime MM-GBSA ΔGbind = −45.66 kcal/mol), whereas uvangoletin showed the most balanced PLpro profile (−41.69 kcal/mol). MD simulations with toremifene and GRL0617 as references supported structural persistence of the prioritized complexes. DFT analysis yielded HOMO–LUMO gaps of 5.37 eV for proanthocyanidin and 4.81 eV for uvangoletin. This framework enables reproducible prioritization of plant organs, phytochemical classes, and metabolites before experimental validation.

Compounds

9 October 2026

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Compounds - ISSN 2673-6918