Articles producció científicaQuímica Analítica i Química Orgànica

Shedding Light on the Past: Temporal Classification of Zoological Specimens from Museum Collections with Portable NIR Sensors and Multivariate Error Modeling

  • Identification data

    Identifier:  imarina:9525294
    Authors:  Riu, Jordi; Giussani, Barbara; Monti, Manuel; Baruffaldi, Lorenzo; Campeny, Marc; Quesada, Javier
    Abstract:
    Museum scientific collections preserve invaluable biological archives that provide insights into historical biodiversity and environmental change. Determining the age of specimens often relies on destructive, labor-intensive, and costly methods, limiting their use on rare or valuable materials. In this study, we present a fully nondestructive and rapid approach for classifying the temporal origin of zoological skeletal specimens using portable near-infrared spectroscopy combined with an advanced chemometric framework, exemplified by red squirrel (Sciurus vulgaris) bones. Two compact NIR instruments, covering distinct wavelength ranges, were employed to analyze bone samples collected from two temporal groups: "historical" (1916-1923) and "modern" (2005-2021). To extract chemically meaningful information while accounting for instrumental and physical variability, we implemented a maximum likelihood principal component analysis-logistic regression (MLPCA-LR) strategy that explicitly incorporates the measurement error covariance structure. The resulting models achieved perfect or near-perfect discrimination, validated through cross-validation, independent test sets, and bootstrap analysis. Compared to the widely used partial least-squares discriminant analysis (PLS-DA), the MLPCA-LR framework demonstrated superior robustness and interpretability. This study suggests that NIR spectroscopy with portable sensors, combined with MLPCA-LR, offers a nondestructive and accessible approach for temporal classification of skeletal specimens, enabling practical in situ screening in museums without invasive sampling or expert operators.
  • Others:

    Link to the original source: https://pubs.acs.org/doi/10.1021/acs.analchem.5c06767
    APA: Riu, Jordi; Giussani, Barbara; Monti, Manuel; Baruffaldi, Lorenzo; Campeny, Marc; Quesada, Javier (2026). Shedding Light on the Past: Temporal Classification of Zoological Specimens from Museum Collections with Portable NIR Sensors and Multivariate Error Modeling. ANALYTICAL CHEMISTRY, 98(13), 9658-9671. DOI: 10.1021/acs.analchem.5c06767
    Paper original source: ANALYTICAL CHEMISTRY. 98 (13): 9658-9671
    Article's DOI: 10.1021/acs.analchem.5c06767
    Journal publication year: 2026-03-20
    Entity: Universitat Rovira i Virgili
    Paper version: info:eu-repo/semantics/publishedVersion
    Record's date: 2026-05-02
    URV's Author/s: Riu Rusell, Jordi
    Department: Química Analítica i Química Orgànica
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Publication Type: Journal Publications
    Author, as appears in the article.: Riu, Jordi; Giussani, Barbara; Monti, Manuel; Baruffaldi, Lorenzo; Campeny, Marc; Quesada, Javier
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Thematic Areas: Química, Medicina ii, Medicina i, Materiais, Interdisciplinar, Geociências, General medicine, Farmacia, Ensino, Engenharias iv, Engenharias iii, Engenharias ii, Enfermagem, Ciências biológicas iii, Ciências biológicas ii, Ciências biológicas i, Ciências ambientais, Ciências agrárias i, Ciência de alimentos, Ciência da computação, Chemistry, analytical, Biotecnología, Biodiversidade, Astronomia / física, Analytical chemistry
    Author's mail: jordi.riu@urv.cat
  • Keywords:

    Postmortem interval
    Near-infrared spectroscopy
    Natural-history collections
    Human skeletal remains
    Bone
    Analytical Chemistry
    Chemistry
    Analytical
    Química
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    Geociências
    General medicine
    Farmacia
    Ensino
    Engenharias iv
    Engenharias iii
    Engenharias ii
    Enfermagem
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Ciências agrárias i
    Ciência de alimentos
    Ciência da computação
    Biotecnología
    Biodiversidade
    Astronomia / física
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