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Exploring Emergent Phenomena in Molecules or Nanostructures
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Exploring Emergent Phenomena in Molecules or Nanostructures

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

Deadline for manuscript submissions: closed (30 November 2023) | Viewed by 7061

Special Issue Editor

Prof. Dr. Alex Li

E-Mail Website
Guest Editor
Department of Chemistry, Washington State University, Pullman, WA 99164, USA
Interests: self-assembly; foldamers; supramolecular systems; molecular probes; super-imaging; photoswitches; nano-biotechnologies

Special Issue Information

Dear Colleagues,

In recent decades, explosive growth has taken place in the fields of molecular sciences, and these areas of research have provided insight into the rich and rewarding topics of molecular interactions, light–molecule interaction, and light–electron interaction in materials. Molecular interactions have led to the development of molecular or nano assemblies, fascinating nanostructures, and even molecular or macromolecular machines. Recent successes in organic light-emitting diodes and super-resolution imaging using photo-activation are evidence of a deeper understanding of light emitters and the wave-like photonic properties of novel photo-controllable molecular systems. The emergence of stimuli-responsive materials, which incorporate smart functions, is a new direction for the creation of specific sensors, working nanosystems, and innovative devices. Additionally, nanoscale or mesoscale pores, such as metal–organic frameworks, are burgeoning new materials due to the fact that they host a wealth of functions, including highly selective catalysis and hydrogen storage.

In this Special Issue, we aim to collect innovative ideas and emergent methodologies utilizing molecular structures, nanostructures, or synergistic interactions to create functional molecular or nano-systems, such as emergent sciences, or enabling new technologies, smart-responsive systems, or molecular probes to illustrate biological functions. We welcome both original research articles and mini or full reviews in these exciting and rapidly evolving fields.

Potential topics include, but are not limited to the following:

  • The novel synthesis of functional molecules or nanostructures for innovative applications such as energy storage, drug delivery, or molecular devices;
  • The investigation of emergent phenomena in molecular or nano-systems using advanced characterization techniques such as spectroscopy, microscopy, or X-ray scattering;
  • The elucidation of light–molecule interactions, molecular emission, or fluorescence in imaging, single molecules, or photoreactions;
  • The study of emergent properties of molecular or nanostructured materials, including their optical, electrical, or thermal properties;
  • The development of functional molecules, self-assemblies, or nano-systems for use in sensors, catalysis, or other applications;
  • The exploration of emergent catalysts for the conversion of CO2 or/and H2O to fuel, using advanced synthesis and photon-assisted conversion;
  • The investigation of linear or nonlinear molecular spectroscopy for use in chemical/physical processes or materials’ characterization;
  • The design and development of molecular or macromolecular machines with controllable motion or electronic/optical properties;
  • The study of nanopore or mesopore assemblies such as metal–organic frameworks for use in gas separation, catalysis, or other applications;
  • The development of emergent methods for energy conversion (H2) or storage such as batteries, using advanced materials design and synthesis;
  • The investigation of reaction pathways or catalytic insights into molecular processes using advanced methods;
  • The development of molecular photoswitches or nanoparticle-based photoswitches for use in optoelectronics or other applications;
  • The design and synthesis of molecular foldable polymers or foldamers with unique sensing, allosteric, or optical properties;
  • The study of intermolecular interactions or their emergent phenomena using advanced spectroscopic or computational techniques;
  • The exploration of applications of self-assembled, folded, or covalently linked nanostructures in drug delivery, sensing, or other areas;
  • The investigation of quantum phenomena, quantum materials, and quantum modeling for use in advanced computing, sensing, or other applications;
  • The development of molecular or nanostructured probes for use in biological imaging or sensing applications;
  • The exploration of stimuli-responsive molecular, macromolecular, or nanoparticle systems for use in drug delivery, sensing, or other applications;
  • The design and development of functional materials or smart systems with unique properties and applications.

Prof. Dr. Alex Li
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

  • emergent phenomena
  • light–molecule interactions
  • self-assemblies
  • molecular machines
  • catalysts
  • energy conversion/storage
  • fuel
  • batteries
  • molecular synthesis
  • molecular emission
  • molecular probes
  • supramolecular systems
  • nano-photonic properties
  • foldamers
  • folded nano-systems
  • metal–organic framework
  • stimuli-responsive systems
  • smart or functional materials

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  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

22 pages, 4130 KiB  
Article
Full-Quantum Treatment of Molecular Systems Confirms Novel Supracence Photonic Properties
by Wei Wan and Alexander D. Q. Li
Int. J. Mol. Sci. 2023, 24(8), 7490; https://doi.org/10.3390/ijms24087490 - 19 Apr 2023
Viewed by 1298
Abstract
Our understanding of molecules has stagnated at a single quantum system, with atoms as Newtonian particles and electrons as quantum particles. Here, however, we reveal that both atoms and electrons in a molecule are quantum particles, and their quantum–quantum interactions create a previously [...] Read more.
Our understanding of molecules has stagnated at a single quantum system, with atoms as Newtonian particles and electrons as quantum particles. Here, however, we reveal that both atoms and electrons in a molecule are quantum particles, and their quantum–quantum interactions create a previously unknown, newfangled molecular property—supracence. Molecular supracence is a phenomenon in which the molecule transfers its potential energy from quantum atoms to photo-excited electrons so that the emitted photon has more energy than that of the absorbed one. Importantly, experiments reveal such quantum energy exchanges are independent of temperature. When quantum fluctuation results in absorbing low-energy photons, yet still emitting high-energy photons, supracence occurs. This report, therefore, reveals novel principles governing molecular supracence via experiments that were rationalized by full quantum (FQ) theory. This advancement in understanding predicts the super-spectral resolution of supracence, and molecular imaging confirms such innovative forecasts using closely emitting rhodamine 123 and rhodamine B in living cell imaging of mitochondria and endosomes. Full article
(This article belongs to the Special Issue Exploring Emergent Phenomena in Molecules or Nanostructures)
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14 pages, 3324 KiB  
Article
Role of Sterically Bulky Azobenzenes in the Molecular Assembly of Pyrene Derivatives: Rectangular Sheet-like Structures and Their Emission Characteristics
by Pyae Thu and Mina Han
Int. J. Mol. Sci. 2023, 24(5), 4504; https://doi.org/10.3390/ijms24054504 - 24 Feb 2023
Cited by 3 | Viewed by 2123
Abstract
The development of pyrene-based fluorescent assembled systems with desirable emission characteristics by reducing conventional concentration quenching and/or aggregation-induced quenching (ACQ) is highly desirable. In this investigation, we designed a new azobenzene-functionalized pyrene derivative (AzPy) in which sterically bulky azobenzene is linked to pyrene. [...] Read more.
The development of pyrene-based fluorescent assembled systems with desirable emission characteristics by reducing conventional concentration quenching and/or aggregation-induced quenching (ACQ) is highly desirable. In this investigation, we designed a new azobenzene-functionalized pyrene derivative (AzPy) in which sterically bulky azobenzene is linked to pyrene. Absorption and fluorescence spectroscopic results before and after molecular assembly indicate that even in a dilute N,N-dimethylformamide (DMF) solution (~10 μM), AzPy molecules experienced significant concentration quenching, whereas the emission intensities of AzPy DMF-H2O turbid suspensions containing self-assembled aggregates were slightly enhanced and showed similar values regardless of the concentration. The shape and size of sheet-like structures, from incomplete flakes less than one micrometer in size to well-completed rectangular microstructures, could be adjusted by changing the concentration. Importantly, such sheet-like structures exhibit concentration dependence of their emission wavelength from blue to yellow-orange. Comparison with the precursor (PyOH) demonstrates that the introduction of a sterically twisted azobenzene moiety plays an important role in converting the spatial molecular arrangements from H- to J-type aggregation mode. Thus, AzPy chromophores grow into anisotropic microstructures through inclined J-type aggregation and high crystallinity, which are responsible for their unexpected emission characteristics. Our findings provide useful insight into the rational design of fluorescent assembled systems. Full article
(This article belongs to the Special Issue Exploring Emergent Phenomena in Molecules or Nanostructures)
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30 pages, 16911 KiB  
Article
The Binding of Different Substrate Molecules at the Docking Site and the Active Site of γ-Secretase Can Trigger Toxic Events in Sporadic and Familial Alzheimer’s Disease
by Željko M. Svedružić, Vesna Šendula Jengić and Lucija Ostojić
Int. J. Mol. Sci. 2023, 24(3), 1835; https://doi.org/10.3390/ijms24031835 - 17 Jan 2023
Cited by 4 | Viewed by 2820
Abstract
Pathogenic changes in γ-secretase activity, along with its response to different drugs, can be affected by changes in the saturation of γ-secretase with its substrate. We analyze the saturation of γ-secretase with its substrate using multiscale molecular dynamics studies. We found that an [...] Read more.
Pathogenic changes in γ-secretase activity, along with its response to different drugs, can be affected by changes in the saturation of γ-secretase with its substrate. We analyze the saturation of γ-secretase with its substrate using multiscale molecular dynamics studies. We found that an increase in the saturation of γ-secretase with its substrate could result in the parallel binding of different substrate molecules at the docking site and the active site. The C-terminal domain of the substrate bound at the docking site can interact with the most dynamic presenilin sites at the cytosolic end of the active site tunnel. Such interactions can inhibit the ongoing catalytic activity and increase the production of the longer, more hydrophobic, and more toxic Aβ proteins. Similar disruptions in dynamic presenilin structures can be observed with different drugs and disease-causing mutations. Both, C99-βCTF-APP substrate and its different Aβ products, can support the toxic aggregation. The aggregation depends on the substrate N-terminal domain. Thus, the C99-βCTF-APP substrate and β-secretase path can be more toxic than the C83-αCTF-APP substrate and α-secretase path. Nicastrin can control the toxic aggregation in the closed conformation. The binding of the C99-βCTF-APP substrate to γ-secretase can be controlled by substrate channeling between the nicastrin and β-secretase. We conclude that the presented two-substrate mechanism could explain the pathogenic changes in γ-secretase activity and Aβ metabolism in different sporadic and familial cases of Alzheimer’s disease. Future drug-development efforts should target different cellular mechanisms that regulate the optimal balance between γ-secretase activity and amyloid metabolism. Full article
(This article belongs to the Special Issue Exploring Emergent Phenomena in Molecules or Nanostructures)
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