Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
7.8
5.6
Journals
IJMS
Special Issues
Feature Papers in 'Physical Chemistry and Chemical Physics' 2024
ijms-logo
Submit to Special Issue Submit Abstract to Special Issue Review for IJMS Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Feature Papers in 'Physical Chemistry and Chemical Physics' 2024

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: 30 June 2024 | Viewed by 4203

Special Issue Editor

Prof. Dr. Dongho Kim

E-Mail Website
Guest Editor
Department of Chemistry, Yonsei University, Seoul, 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
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In this International Journal of Molecular Sciences (IJMS) Special Issue, new and original research that has a broad readership from all aspects of physical chemistry and chemical physics is published. For publication here, research must provide significant new innovations and insights in the physical chemistry and chemical physics fields with a focus on molecular research. The submitted articles will be judged by the Editors and peer-reviewers. Topics include, but are not limited to, the following:

  • 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

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.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • 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 etc

Published Papers (5 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

26 pages, 6567 KiB  
Article
Dual Emissive Zn(II) Naphthalocyanines: Synthesis, Structural and Photophysical Characterization with Theory-Supported Insights towards Soluble Coordination Compounds with Visible and Near-Infrared Emission
by Sidharth Thulaseedharan Nair Sailaja, Iván Maisuls, Alexander Hepp, Dana Brünink, Nikos L. Doltsinis, Andreas Faust, Sven Hermann and Cristian A. Strassert
Int. J. Mol. Sci. 2024, 25(5), 2605; https://doi.org/10.3390/ijms25052605 - 23 Feb 2024
Viewed by 495
Abstract
Metal phthalocyaninates and their higher homologues are recognized as deep-red luminophores emitting from their lowest excited singlet state. Herein, we report on the design, synthesis, and in-depth characterization of a new class of dual-emissive (visible and NIR) metal naphthalocyaninates. A 4-N, [...] Read more.
Metal phthalocyaninates and their higher homologues are recognized as deep-red luminophores emitting from their lowest excited singlet state. Herein, we report on the design, synthesis, and in-depth characterization of a new class of dual-emissive (visible and NIR) metal naphthalocyaninates. A 4-N,N-dimethylaminophen-4-yl-substituted naphthalocyaninato zinc(II) complex (Zn-NMe2Nc) and the derived water-soluble coordination compound (Zn-NMe3Nc) exhibit a near-infrared fluorescence from the lowest ligand-centered state, along with a unique push–pull-supported luminescence in the visible region of the electromagnetic spectrum. An unprecedentedly broad structural (2D-NMR spectroscopy and mass spectrometry) as well as photophysical characterization (steady-state state and time-resolved photoluminescence spectroscopy) is presented. The unique dual emission was assigned to two independent sets of singlet states related to the intrinsic Q-band of the macrocycle and to the push–pull substituents in the molecular periphery, respectively, as predicted by TD-DFT calculations. In general, the elusive chemical aspects of these macrocyclic compounds are addressed, involving both reaction conditions, thorough purification, and in-depth characterization. Besides the fundamental aspects that are investigated herein, the photoacoustic properties were exemplarily examined using phantom gels to assess their tomographic imaging capabilities. Finally, the robust luminescence in the visible range arising from the push–pull character of the peripheral moieties demonstrated a notable independence from aggregation and was exemplarily implemented for optical imaging (FLIM) through time-resolved multiphoton micro(spectro)scopy. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
►▼ Show Figures

Graphical abstract

21 pages, 2729 KiB  
Article
Synthesis and Biological Evaluation of Novel Amino and Amido Substituted Pentacyclic Benzimidazole Derivatives as Antiproliferative Agents
by Nataša Perin, Marjana Gulin, Marija Kos, Leentje Persoons, Dirk Daelemans, Ivana Fabijanić, Marijana Radić Stojković and Marijana Hranjec
Int. J. Mol. Sci. 2024, 25(4), 2288; https://doi.org/10.3390/ijms25042288 - 14 Feb 2024
Viewed by 670
Abstract
Newly designed pentacyclic benzimidazole derivatives featuring amino or amido side chains were synthesized to assess their in vitro antiproliferative activity. Additionally, we investigated their direct interaction with nucleic acids, aiming to uncover potential mechanisms of biological action. These compounds were prepared using conventional [...] Read more.
Newly designed pentacyclic benzimidazole derivatives featuring amino or amido side chains were synthesized to assess their in vitro antiproliferative activity. Additionally, we investigated their direct interaction with nucleic acids, aiming to uncover potential mechanisms of biological action. These compounds were prepared using conventional organic synthesis methodologies alongside photochemical and microwave-assisted reactions. Upon synthesis, the newly derived compounds underwent in vitro testing for their antiproliferative effects on various human cancer cell lines. Notably, derivatives 6 and 9 exhibited significant antiproliferative activity within the submicromolar concentration range. The biological activity was strongly influenced by the N atom’s position on the quinoline moiety and the position and nature of the side chain on the pentacyclic skeleton. Findings from fluorescence, circular dichroism spectroscopy, and thermal melting assays pointed toward a mixed binding mode—comprising intercalation and the binding of aggregated compounds along the polynucleotide backbone—of these pentacyclic benzimidazoles with DNA and RNA. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
►▼ Show Figures

Figure 1

15 pages, 3358 KiB  
Article
A Kinetic Investigation of the Supramolecular Chiral Self-Assembling Process of Cationic Organometallic (2,2′:6′,2″-terpyridine)methylplatinum(II) Complexes with Poly(L-glutamic Acid)
by Maria Angela Castriciano, Roberto Zagami, Antonino Mazzaglia, Andrea Romeo and Luigi Monsù Scolaro
Int. J. Mol. Sci. 2024, 25(2), 1176; https://doi.org/10.3390/ijms25021176 - 18 Jan 2024
Cited by 1 | Viewed by 461
Abstract
The cationic platinum(II) organometallic complex [Pt(terpy)Me]+ (terpy = 2,2′:6′,2″-terpyridine) at mild acidic pH interacts with poly(L-glutamic acid) (L-PGA) in its α-helix conformation, affording chiral supramolecular adducts. Their kinetics of formation have been investigated in detail as a function of the concentrations of [...] Read more.
The cationic platinum(II) organometallic complex [Pt(terpy)Me]+ (terpy = 2,2′:6′,2″-terpyridine) at mild acidic pH interacts with poly(L-glutamic acid) (L-PGA) in its α-helix conformation, affording chiral supramolecular adducts. Their kinetics of formation have been investigated in detail as a function of the concentrations of both reagents and changing pH, ionic strength, the length of the polymeric scaffold and temperature. After a very fast early stage, the kinetic traces have been analyzed as three consecutive steps, suggesting a mechanism based on the electrostatic fast formation of a not-organized aggregate that subsequently evolves through different rearrangements to form the eventual supramolecular adduct. A model for this species has been proposed based on (i) the attractive electrostatic interaction of the cationic platinum(II) complexes and the polyelectrolyte and (ii) the π-stacking interactions acting among the [Pt(terpy)Me]+ units. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
►▼ Show Figures

Figure 1

25 pages, 4676 KiB  
Article
Gas-Phase vs. Grain-Surface Formation of Interstellar Complex Organic Molecules: A Comprehensive Quantum-Chemical Study
by Berta Martínez-Bachs and Albert Rimola
Int. J. Mol. Sci. 2023, 24(23), 16824; https://doi.org/10.3390/ijms242316824 - 27 Nov 2023
Cited by 1 | Viewed by 963
Abstract
Several organic chemical compounds (the so-called interstellar complex organic molecules, iCOMs) have been identified in the interstellar medium (ISM). Examples of iCOMs are formamide (HCONH2), acetaldehyde (CH3CHO), methyl formate (CH3OCHO), or formic acid (HCOOH). iCOMs can serve [...] Read more.
Several organic chemical compounds (the so-called interstellar complex organic molecules, iCOMs) have been identified in the interstellar medium (ISM). Examples of iCOMs are formamide (HCONH2), acetaldehyde (CH3CHO), methyl formate (CH3OCHO), or formic acid (HCOOH). iCOMs can serve as precursors of other organic molecules of enhanced complexity, and hence they are key species in chemical evolution in the ISM. The formation of iCOMs is still a subject of a vivid debate, in which gas-phase or grain-surface syntheses have been postulated. In this study, we investigate the grain-surface-formation pathways for the four above-mentioned iCOMs by transferring their primary gas-phase synthetic routes onto water ice surfaces. Our objective is twofold: (i) to identify potential grain-surface-reaction mechanisms leading to the formation of these iCOMs, and (ii) to decipher either parallelisms or disparities between the gas-phase and the grain-surface reactions. Results obtained indicate that the presence of the icy surface modifies the energetic features of the reactions compared to the gas-phase scenario, by increasing some of the energy barriers. Therefore, the investigated gas-phase mechanisms seem unlikely to occur on the icy grains, highlighting the distinctiveness between the gas-phase and the grain-surface chemistry. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
►▼ Show Figures

Figure 1

16 pages, 11914 KiB  
Article
Organelle Imaging with Terahertz Scattering-Type Scanning Near-Field Microscope
by Jie Huang, Jie Wang, Linghui Guo, Dianxing Wu, Shihan Yan, Tianying Chang and Hongliang Cui
Int. J. Mol. Sci. 2023, 24(17), 13630; https://doi.org/10.3390/ijms241713630 - 04 Sep 2023
Viewed by 1006
Abstract
Organelles play core roles in living beings, especially in internal cellular actions, but the hidden information inside the cell is difficult to extract in a label-free manner. In recent years, terahertz (THz) imaging has attracted much attention because of its penetration depth in [...] Read more.
Organelles play core roles in living beings, especially in internal cellular actions, but the hidden information inside the cell is difficult to extract in a label-free manner. In recent years, terahertz (THz) imaging has attracted much attention because of its penetration depth in nonpolar and non-metallic materials and label-free, non-invasive and non-ionizing ability to obtain the interior information of bio-samples. However, the low spatial resolution of traditional far-field THz imaging systems and the weak dielectric contrast of biological samples hinder the application of this technology in the biological field. In this paper, we used an advanced THz scattering near-field imaging method for detecting chloroplasts on gold substrate with nano-flatness combined with an image processing method to remove the background noise and successfully obtained the subcellular-grade internal reticular structure from an Arabidopsis chloroplast THz image. In contrast, little inner information could be observed in the tea chloroplast in similar THz images. Further, transmission electron microscopy (TEM) and mass spectroscopy (MS) were also used to detect structural and chemical differences inside the chloroplasts of Arabidopsis and tea plants. The preliminary results suggested that the interspecific different THz information is related to the internal spatial structures of chloroplasts and metabolite differences among species. Therefore, this method could open a new way to study the structure of individual organelles. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-5
Back to TopTop