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Application of Spectroscopy in Chemistry
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Application of Spectroscopy in Chemistry

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Chemical and Molecular Sciences".

Deadline for manuscript submissions: 30 June 2026 | Viewed by 1089

Special Issue Editors

Prof. Dr. Samuel P. Hernandez

E-Mail Website
Guest Editor
Center for Chemical Sensors and Chemical Imaging and Surface Analysis Center, Department of Chemistry, University of Puerto Rico, Mayaguez, PR 00681, USA
Interests: chemical, biological and environmental application of near IR and raman spectroscopy; quantum cascade lasers; chemical and biological sensors
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Leonardo C. Pacheco-Londoñ

E-Mail Website
Guest Editor
Faculty of Basic and Biomedical Sciences, Simón Bolivar University, Barranquilla, Colombia
Interests: genetics and molecular biology; spectroscopic techniques, nanotechnology and machine learning and chemometrics
Dr. Jose A. Centeno

E-Mail Website
Guest Editor
Center for Chemical Sensors and Chemical Imaging and Surface Analysis Center, Department of Chemistry, University of Puerto Rico, Mayaguez, PR 00681, USA
Interests: metals toxicology; environmental and toxicological pathology; occupational and forensic toxicology of metals; biomonitoring to metal exposures; human health and risk assessment to metal exposures; medical geology; metalloids and health effects; metals used in medical devices; biocompatibility of metals; regulatory sciences
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue of MDPI’s Applied Sciences deals with applications of spectroscopy in chemistry. The topic includes chemical and biological threats (CBTs), environmental applications of near-infrared spectroscopy (NIR), Raman scattering (RS), quantum cascade laser spectroscopy (QCLS), chemical and biological sensors (CBSs), mid-infrared spectroscopy (MIR), Fourier transform infrared spectroscopy (FTIR), the spectroscopic detection of pesticides, herbicides, persistent organic pollutants (POPs), per- and polyfluoroalkyl substances (PFASs),  perfluorooctane sulfonic acids (PFOSs), and micro/nanoplastics.

We highly encourage the submission of “state-of-the-art” and novel applications of spectroscopy.

Prof. Dr. Samuel P. Hernandez
Prof. Dr. Leonardo C. Pacheco-Londoñ
Dr. Jose A. Centeno
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Applied Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • spectroscopy in chemistry
  • near-infrared spectroscopy
  • Raman scattering

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Published Papers (2 papers)

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Research

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23 pages, 5171 KB  
Article
L-Tryptophan Adsorbed on Au and Ag Nanostructured Substrates: A SERS Study
by Tamara Félix-Massa, Amira C. Padilla-Jiménez, Tatiana P. Vega-Reyes, Francheska M. Colón-González, Leonardo C. Pacheco-Londoño, Nataly J. Galán-Freyle, John R. Castro-Suárez, Carlos A. Ortega-Zúñiga, Edgardo L. González-Arvelo, Elvin S. Lebrón-Ramírez, José A. Centeno-Ortiz and Samuel P. Hernández-Rivera
Appl. Sci. 2025, 15(22), 12273; https://doi.org/10.3390/app152212273 - 19 Nov 2025
Viewed by 369
Abstract
The objective of this study was to determine the most stable conformation of L-tryptophan (L-Tryp) on gold and silver nanoparticles. Additionally, this work investigated how these parameters were influenced by analyte concentration, nanoparticle size, and pH. The purpose of this study was to [...] Read more.
The objective of this study was to determine the most stable conformation of L-tryptophan (L-Tryp) on gold and silver nanoparticles. Additionally, this work investigated how these parameters were influenced by analyte concentration, nanoparticle size, and pH. The purpose of this study was to establish whether L-Tryp molecules interact with the nanoparticles through the carboxylate end, the amino group end, or both. This research has diverse applications in biophysics and medical diagnostics, potentially opening up new avenues in these fields. Moreover, it may enrich the disciplines of chemistry and nanotechnology by offering innovative approaches for future research. These findings represent a significant advancement in understanding the interactions between L-Tryp and nanoparticles, making a meaningful contribution to biophysics and medical diagnostics. Surface-Enhanced Raman Scattering (SERS) spectra of L-Tryp in the 100–4000 cm−1 spectral range were obtained using a 785 nm laser for excitation. Gold (Au) and silver (Ag) nanoparticles (NPs) were synthesized using the citrate reduction method. The experimental procedure involved the use of electrolytes (such as NaCl) for colloid activation, which resulted in very high SERS signals. Modification of nanoparticle surface charge was achieved by adjusting the pH of Au and Ag colloidal suspensions between 2 and 11. The SERS spectra indicate that small-sized nanoparticles require high concentrations of L-Tryp to achieve high sensitivity, whereas larger nanoparticles perform effectively at lower concentrations. The pronounced enhancement of stretching vibrations in the COO− group in the SERS spectra strongly suggests that the carboxylate group attaches to silver nanoparticles (AgNPs). Conversely, for gold nanoparticles (AuNPs), a new band at approximately 2136 cm−1 was observed, indicating that the amino group of L-Tryp interacts with Au in its neutral form. These analyses were complemented by theoretical modeling, employing Density Functional Theory (DFT) calculations run using the Gaussian program to study molecular models in which L-Tryp interacted with AgNP and AuNP substrates in neutral, cationic, and anionic forms. Full article
(This article belongs to the Special Issue Application of Spectroscopy in Chemistry)
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Review

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21 pages, 2280 KB  
Review
Are Spectroscopic Methods a Promising Diagnostic Tool for Female Infertility?—A Review of Current Information
by Kamil Sobieszuk, Sylwester Mazurek and Ewa Maria Kratz
Appl. Sci. 2025, 15(21), 11591; https://doi.org/10.3390/app152111591 - 30 Oct 2025
Viewed by 440
Abstract
Diagnosing female infertility is a complex and time-consuming task due to the large number of factors affecting the patient’s fertility, which results in the need to perform many tests to determine the cause in each case accurately. In recent years, the use of [...] Read more.
Diagnosing female infertility is a complex and time-consuming task due to the large number of factors affecting the patient’s fertility, which results in the need to perform many tests to determine the cause in each case accurately. In recent years, the use of spectroscopic methods has been explored for their potential to identify spectral markers of female infertility through analysis of follicular fluid (FF). This article aims to serve as a review and presentation of the research performed in the field of female infertility diagnostics using NMR and vibrational spectroscopy in the analysis of FF samples. Full article
(This article belongs to the Special Issue Application of Spectroscopy in Chemistry)
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