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<p>The green, stabilizer-free synthesis of gold nanoparticles (AuNPs) using aqueous stem extracts of <i>Petiveria alliacea</i> (PA), <i>Gliricidia sepium</i> (GS), and <i>Bougainvillea spectabilis</i> (BS) is demonstrated. Ultraviolet-visible spectroscopy (UV-Vis) and transmission electron microscopy (TEM) confirm nanoparticle formation and crystalline face-centered cubic (fcc) domains. Using pyridoxine (Py) as a Raman probe, we compare surface-enhanced Raman scattering (SERS) responses across the plant-derived colloids under identical acquisition conditions and express the signal intensity under the same acquisition conditions (785&#xa0;nm laser, 10 mW, 10&#xa0;s exposure). To rationalize excitation dependence and mode selectivity, we model a gold cluster-pyridoxine complex (Au<sub>8</sub>-Py) by density functional theory (DFT) and compute Raman activities within the coupled-perturbed Hartree-Fock (CPHF) formalism, linking calculated vibronic responses to experimental trends. Unlike common plant routes that typically employ flowers or leaves and often require added stabilizers, the stem-only approach simplifies preparation, reduces chemical inputs, and yields plasmonic substrates. The combined experimental-theoretical analysis connects extract-dependent surface chemistry and morphology with SERS performance and outlines a practical path toward low-cost sensing of small nutrients and related analytes.</p>

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Green stem-extract synthesis of gold nanoparticles for pyridoxine SERS: morphology, extract-dependent behavior, and DFT/CPHF analysis

  • 期刊论文

  • 发表日期：

    2026年5月29日

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  • C. Villarruel-Molina,
  • J. E. Leal-Perez,
  • M. Cortez-Valadez,
  • Y. Molina Fragozo,
  • J. Flores-Valenzuela,
  • C. A. Noreña Julio,
  • R. Ruiz Suarez,
  • J. P. Molina Jimenez,
  • D. A. Avila,
  • S. Horta-Piñeres

摘要

The green, stabilizer-free synthesis of gold nanoparticles (AuNPs) using aqueous stem extracts of Petiveria alliacea (PA), Gliricidia sepium (GS), and Bougainvillea spectabilis (BS) is demonstrated. Ultraviolet-visible spectroscopy (UV-Vis) and transmission electron microscopy (TEM) confirm nanoparticle formation and crystalline face-centered cubic (fcc) domains. Using pyridoxine (Py) as a Raman probe, we compare surface-enhanced Raman scattering (SERS) responses across the plant-derived colloids under identical acquisition conditions and express the signal intensity under the same acquisition conditions (785 nm laser, 10 mW, 10 s exposure). To rationalize excitation dependence and mode selectivity, we model a gold cluster-pyridoxine complex (Au8-Py) by density functional theory (DFT) and compute Raman activities within the coupled-perturbed Hartree-Fock (CPHF) formalism, linking calculated vibronic responses to experimental trends. Unlike common plant routes that typically employ flowers or leaves and often require added stabilizers, the stem-only approach simplifies preparation, reduces chemical inputs, and yields plasmonic substrates. The combined experimental-theoretical analysis connects extract-dependent surface chemistry and morphology with SERS performance and outlines a practical path toward low-cost sensing of small nutrients and related analytes.