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Feature Papers in ‘Physical Chemistry and Chemical Physics’: Fourth Edition

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 20 February 2026 | Viewed by 973

Special Issue Editor

Prof. Dr. Dongho Kim

E-Mail Website
Guest Editor
Department of Chemistry, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722, Republic of Korea
Interests: physical chemistry; time- and space-resolved spectroscopy; ground and excited state aromaticity; energy and electron transfer; molecular aggregation; molecular symmetry; exciton localization and delocalization dynamics; excimer dynamics
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Special Issue Information

Dear Colleagues,

This Special Issue of the International Journal of Molecular Sciences (IJMS) highlights new and original research that appeals to a broad audience across all aspects of physical chemistry and chemical physics. This issue invites research that offers significant innovations and insights in the fields of physical chemistry and chemical physics, with a focus on molecular research. The submitted articles will be judged by editors and peer reviewers. Topics include, but are not limited to, the following research areas:

  • Intermolecular forces that act upon the physical properties of materials;
  • Reaction kinetics on the rate of a reaction;
  • The identity of ions and the electrical conductivity of materials;
  • Surface science and the electrochemistry of cell membranes;
  • Probing the structure and dynamics of ions, free radicals, polymers, clusters, and molecules;
  • Chemical structures and reactions at the quantum mechanical level;
  • The structure and reactivity of gas-phase ions and radicals;
  • Energy/charge transfer dynamics in organic/inorganic materials;
  • Physical processes in nanomaterials.

Prof. Dr. Dongho Kim
Guest Editor

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Keywords

  • heterogeneous structures
  • alignment and surface phenomena
  • quantum theory
  • mathematical physics
  • statistical and classical mechanics
  • molecular structure
  • chemical kinetics
  • laser physics
  • dynamics
  • kinetics
  • photochemistry
  • spectroscopy
  • exciton dynamics
  • statistical mechanics
  • thermodynamics
  • electrochemistry
  • catalysis
  • surface science
  • quantum mechanics
  • theoretical developments
  • fundamental aspects of catalysis
  • solar energy conversion
  • polymer dynamics

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Published Papers (3 papers)

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Research

21 pages, 7777 KiB  
Article
Physicochemical and Computational Study of the Encapsulation of Resv-4′-LA and Resv-4′-DHA Lipophenols by Natural and HP-β-CDs
by Ana Belén Hernández-Heredia, Dennis Alexander Silva-Cullishpuma, José Pedro Cerón-Carrasco, Ángel Gil-Izquierdo, Jordan Lehoux, Léo Faion, Céline Crauste, Thierry Durand, José Antonio Gabaldón and Estrella Núñez-Delicado
Int. J. Mol. Sci. 2025, 26(15), 7454; https://doi.org/10.3390/ijms26157454 - 1 Aug 2025
Viewed by 314
Abstract
This study investigates the self-assembly and host–guest complexation behaviour of novel resveratrol-based lipophenols (LipoResv)—resveratrol-4′-linoleate (Resv-4′-LA) and resveratrol-4′-docosahexaenoate (Resv-4′-DHA)—with hydroxypropyl-β-cyclodextrins (HP-β-CDs). These amphiphilic molecules display surfactant-like properties, forming micellar aggregates in aqueous media. Fluorescence spectroscopy was used to determine the critical micelle concentration (CMC), [...] Read more.
This study investigates the self-assembly and host–guest complexation behaviour of novel resveratrol-based lipophenols (LipoResv)—resveratrol-4′-linoleate (Resv-4′-LA) and resveratrol-4′-docosahexaenoate (Resv-4′-DHA)—with hydroxypropyl-β-cyclodextrins (HP-β-CDs). These amphiphilic molecules display surfactant-like properties, forming micellar aggregates in aqueous media. Fluorescence spectroscopy was used to determine the critical micelle concentration (CMC), revealing that LipoResv exhibit significantly lower CMC values than their free fatty acids, indicating higher hydrophobicity. The formation of inclusion complexes with HP-β-CDs was evaluated based on changes in CMC values and further confirmed by dynamic light scattering (DLS) and molecular modelling analyses. Resv-4′-LA formed 1:1 complexes (Kc = 720 M−1), while Resv-4′-DHA demonstrated a 1:2 stoichiometry with lower affinity constants (K1 = 17 M−1, K2 = 0.18 M−1). Environmental parameters (pH, temperature, and ionic strength) significantly modulated CMC and binding constants. Computational docking and molecular dynamics simulations supported the experimental findings by revealing the key structural determinants of the host–guest affinity and micelle stabilization. Ligand efficiency (LE) analysis further aligned with the experimental data, favouring the unmodified fatty acids. These results highlight the versatile encapsulation capacity of HP-β-CDs for bioactive amphiphile molecules and support their potential applications in drug delivery and functional food systems. Full article
(This article belongs to the Special Issue Feature Papers in ‘Physical Chemistry and Chemical Physics’: Fourth Edition)
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17 pages, 7508 KiB  
Article
Supramolecular Graphene Quantum Dots/Porphyrin Complex as Fluorescence Probe for Metal Ion Sensing
by Mariachiara Sarà, Andrea Romeo, Gabriele Lando, Maria Angela Castriciano, Roberto Zagami, Giovanni Neri and Luigi Monsù Scolaro
Int. J. Mol. Sci. 2025, 26(15), 7295; https://doi.org/10.3390/ijms26157295 - 28 Jul 2025
Viewed by 280
Abstract
Graphene quantum dots (GQDs) obtained by microwave-induced pyrolysis of glutamic acid and triethylenetetramine (trien) are fairly stable, emissive, water-soluble, and positively charged nano-systems able to interact with negatively charged meso-tetrakis(4-sulfonatophenyl) porphyrin (TPPS4). The stoichiometric control during the preparation affords a [...] Read more.
Graphene quantum dots (GQDs) obtained by microwave-induced pyrolysis of glutamic acid and triethylenetetramine (trien) are fairly stable, emissive, water-soluble, and positively charged nano-systems able to interact with negatively charged meso-tetrakis(4-sulfonatophenyl) porphyrin (TPPS4). The stoichiometric control during the preparation affords a supramolecular adduct, GQDs@TPPS4, that exhibits a double fluorescence emission from both the GQDs and the TPPS4 fluorophores. These supramolecular aggregates have an overall negative charge that is responsible for the condensation of cations in the nearby aqueous layer, and a three-fold acceleration of the metalation rates of Cu2+ ions has been observed with respect to the parent porphyrin. Addition of various metal ions leads to some changes in the UV/Vis spectra and has a different impact on the fluorescence emission of GQDs and TPPS4. The quenching efficiency of the TPPS4 emission follows the order Cu2+ > Hg2+ > Cd2+ > Pb2+ ~ Zn2+ ~ Co2+ ~ Ni2+ > Mn2+ ~ Cr3+ >> Mg2+ ~ Ca2+ ~ Ba2+, and it has been related to literature data and to the sitting-atop mechanism that large transition metal ions (e.g., Hg2+ and Cd2+) exhibit in their interaction with the macrocyclic nitrogen atoms of the porphyrin, inducing distortion and accelerating the insertion of smaller metal ions, such as Zn2+. For the most relevant metal ions, emission quenching of the porphyrin evidences a linear behavior in the micromolar range, with the emission of the GQDs being moderately affected through a filter effect. Deliberate pollution of the samples with Zn2+ reveals the ability of the GQDs@TPPS4 adduct to detect sensitively Cu2+, Hg2+, and Cd2+ ions. Full article
(This article belongs to the Special Issue Feature Papers in ‘Physical Chemistry and Chemical Physics’: Fourth Edition)
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18 pages, 2182 KiB  
Article
Assessment of Hydroxyl Radical Reactivity in Sulfur-Containing Amino Acid Models Under Acidic pH
by Chryssostomos Chatgilialoglu, Piotr Filipiak, Tomasz Szreder, Ireneusz Janik, Gordon L. Hug, Magdalena Grzelak, Franciszek Kazmierczak, Jerzy Smorawinski, Krzysztof Bobrowski and Bronislaw Marciniak
Int. J. Mol. Sci. 2025, 26(15), 7203; https://doi.org/10.3390/ijms26157203 - 25 Jul 2025
Viewed by 203
Abstract
Methionine residues in proteins and peptides are frequently oxidized by losing one electron. The presence of nearby amide groups is crucial for this process, enabling methionine to participate in long-range electron transfer. Hydroxyl radical (HO•) plays an important role being generated [...] Read more.
Methionine residues in proteins and peptides are frequently oxidized by losing one electron. The presence of nearby amide groups is crucial for this process, enabling methionine to participate in long-range electron transfer. Hydroxyl radical (HO•) plays an important role being generated in aerobic organisms by cellular metabolisms as well as by exogenous sources such as ionizing radiations. The reaction of HO• with methionine mainly affords the one-electron oxidation of the thioether moiety through two consecutive steps (HO• addition to the sulfur followed by HO− elimination). We recently investigated the reaction of HO• with model peptides mimicking methionine and its cysteine-methylated counterpart, i.e., CH3C(O)NHCHXC(O)NHCH3, where X = CH2CH2SCH3 or CH2SCH3 at pH 7. The reaction mechanism varied depending on the distance between the sulfur atom and the peptide backbone, but, for a better understanding of various suggested equilibria, the analysis of the flux of protons is required. We extended the previous study to the present work at pH 4 using pulse radiolysis techniques with conductivity and optical detection of transient species, as well as analysis of final products by LC-MS and high-resolution MS/MS following γ-radiolysis. Comparing all the data provided a better understanding of how the presence of nearby amide groups influences the one-electron oxidation mechanism. Full article
(This article belongs to the Special Issue Feature Papers in ‘Physical Chemistry and Chemical Physics’: Fourth Edition)
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