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Spectroscopic Techniques in Molecular Sciences

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biology".

Deadline for manuscript submissions: 25 December 2025 | Viewed by 126

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Guest Editor
Laser Department, National Institute for Laser, Plasma and Radiation Physics, 077125 Magurele, Romania
Interests: spectroscopic techniques; laser spectroscopy; photophysics of compounds of interest in photodynamic therapy; nanocompounds for drug-targeted delivery; biomolecular spectroscopy; lasing of droplets
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Special Issue Information

Dear Colleagues,

Spectroscopy continues to be a powerful tool in molecular sciences, providing valuable information regarding the structure, dynamics, interactions, and functions of molecules. Recent advancements in instrumentation, increased sensitivity, high resolution, and integration of multiple spectroscopic techniques make it possible to investigate molecular phenomena in a variety of applications with high accuracy.

This Special Issue seeks to bring original research and high-quality reviews on the latest applications and innovations of spectroscopic techniques relevant to molecular sciences. We welcome contributions that highlight how spectroscopy advances the understanding of chemical, biological, pharmaceutical, and materials systems—from small molecules to macromolecular complexes.

Topics of interest include, but are not limited to:

  • Structural elucidation using UV-Vis, fluorescence, IR, Raman, THz, NMR, XPS, and MS;
  • Time-resolved and ultrafast spectroscopy techniques applications in chemistry, biophysics, and pharmaceutics;
  • Spectroscopic studies of molecular recognition, binding, and conformational change;
  • Spectroscopic approaches for revealing the photophysical properties of drug delivery systems;
  • Spectroscopy in reaction monitoring, catalysis, electrochemistry, and materials research;
  • Coupled spectroscopic and computational methods;
  • AI-enhanced spectroscopic data analysis.

This Special Issue aims to support researchers looking to utilize modern spectroscopic tools in both fundamental and applied studies.

Dr. Angela Staicu
Guest Editor

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 100 words) can be sent to the Editorial Office for announcement on this website.

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • spectroscopy
  • the structure, dynamics, interactions, and functions of molecules
  • chemical, biological, pharmaceutical, and materials systems

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Published Papers (1 paper)

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Research

15 pages, 7931 KiB  
Article
The Catalyzing Effect of Aggregates on the Fibrillation Pathway of Human Insulin: A Spectroscopic Investigation During the Lag Phase
by Giorgia Ciufolini, Alessandra Filabozzi, Angela Capocefalo, Francesca Ripanti, Angelo Tavella, Giulia Imparato, Alessandro Nucara and Marilena Carbone
Int. J. Mol. Sci. 2025, 26(15), 7599; https://doi.org/10.3390/ijms26157599 - 6 Aug 2025
Abstract
The kinetics of insulin aggregation and fibril formation were studied in vitro using Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy. Our investigation centered on the protein’s morphological and structural changes to better understand the transient molecular configurations that occur during [...] Read more.
The kinetics of insulin aggregation and fibril formation were studied in vitro using Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy. Our investigation centered on the protein’s morphological and structural changes to better understand the transient molecular configurations that occur during the lag phase. SEM images showed that, already at early incubation stages, a network of disordered pseudo-filaments, ranging in length between 200 and 500 nanometers, develops on the surface of large aggregates. At later stages, fibrils catalyzed by protein aggregates were observed. Principal Component Analysis (PCA) of the FTIR data identified signatures of intramolecular β-sheet secondary structures forming during the lag phase and at the onset of the exponential growth phase. These absorption bands are linked to secondary nucleation mechanisms due to their transient nature. This interpretation is further supported by a chemical equilibrium model, which yielded a reliable secondary nucleation rate constant, K2, on the order of 104 M−2 s−1. Full article
(This article belongs to the Special Issue Spectroscopic Techniques in Molecular Sciences)
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