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Fabrication Strategies of Molecular Layers for Modern Medical Applications
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Fabrication Strategies of Molecular Layers for Modern Medical Applications

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: 20 January 2025 | Viewed by 6865

Special Issue Editors

Dr. Liviu Duta

E-Mail Website
Guest Editor
National Institute for Laser, Plasma and Radiation Physics, RO-077125 Magurele, Romania
Interests: thin films deposition; biomaterials and protective coatings; characterization methods; natural origin calcium phosphates as sustainable biofunctional coatings for medical applications; biomimetic metallic implants
Special Issues, Collections and Topics in MDPI journals
Dr. Valentina Grumezescu

E-Mail Website
Guest Editor
National Institute for Laser, Plasma and Radiation Physics, RO-077125 Magurele, Romania
Interests: nanomaterials; polymer nanocomposites; 2D and 3D materials; biopolymers; drug delivery; organic/inorganic hybrids; sol–gel chemistry; polymers synthesis; 3D bioprinting
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We warmly invite you to submit your recent work in the field of molecular coatings to the Special Issue entitled “Fabrication Strategies of Molecular Layers for Modern Medical Applications”.

Nowadays, various high-end technologies depend on the efficiency of fabricating layers characterized by both on-demand tailored compositions and architectures in a remarkably controlled manner. In recent years, an increased attention was therefore dedicated to interfacial and surface interactions with nanostructured materials, as the capacity for the fine control of the surface’s physical and chemical characteristics is essential for a wide range of medical applications.

In the quest to overcome important drawbacks associated with either the spin-coating technique or other wet methods, a number of dry processes have been developed for the deposition of high-quality molecular layers. One should note that these layers are obtained with a great thickness control and they are not only uniform, dense, and pinhole-free, but also conformal when deposited onto complex three-dimensional structures. Such techniques, capable of producing layers at nanometre scale, include but are not limited to atomic layer deposition (ALD), molecular layer deposition (MLD), combined ALD/MLD processes, etc. In the last case, the fabricated hybrid layers acquire not only the characteristics combined from those belonging to the parent materials, but also some completely new ones, which advances them as excellent candidates for medical applications.

One should note that, with the late advances in nanoscale engineering in physical sciences, and the developments in biology, the biomimetic field reached the molecular scale. The assumption in the case of a molecular biomimetic approach to nanotechnology is that genetically engineered proteins could act as building blocks or linkers for the self-assemblance of materials with controlled chemistry and targeted functions. The controlled binding and assembly of proteins onto inorganics brings together the biological material science and engineering, thus advancing research from the biotechnological domains to practical engineering (i.e., fabrication of layers).

Taking into consideration all these aspects, the aim of this Special Issue is to collect state-of-the art research papers and reviews on the fabrication strategies of molecular layers for modern medical applications. The topics of interest include but are not limited to:

  • Methods for molecular layers’ fabrication;
  • Self-assembled mono/bi-layers;
  • Molecular chemistry and biomimetics;
  • Engineered proteins;
  • Molecular layers for drug delivery;
  • Advanced biosensors;
  • Protective/diffusion barrier layers.

With deep respect and the hope for cooperation,

Dr. Liviu Duta
Dr. Valentina Grumezescu
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 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

  • molecular layers
  • engineered proteins
  • nanotechnology
  • medical applications

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Published Papers (4 papers)

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Research

25 pages, 6618 KiB  
Article
Exploring Antiviral Drugs on Monolayer Black Phosphorene: Atomistic Theory and Explainable Machine Learning-Assisted Platform
by Slimane Laref, Fouzi Harrou, Ying Sun, Xin Gao and Takashi Gojobori
Int. J. Mol. Sci. 2024, 25(9), 4897; https://doi.org/10.3390/ijms25094897 - 30 Apr 2024
Viewed by 818
Abstract
Favipiravir (FP) and ebselen (EB) belong to a diverse class of antiviral drugs known for their significant efficacy in treating various viral infections. Utilizing molecular dynamics (MD) simulations, machine learning, and van der Waals density functional theory, we accurately elucidate the binding properties [...] Read more.
Favipiravir (FP) and ebselen (EB) belong to a diverse class of antiviral drugs known for their significant efficacy in treating various viral infections. Utilizing molecular dynamics (MD) simulations, machine learning, and van der Waals density functional theory, we accurately elucidate the binding properties of these antiviral drugs on a phosphorene single-layer. To further investigate these characteristics, this study employs four distinct machine learning models—Random Forest, Gradient Boosting, XGBoost, and CatBoost. The Hamiltonian of antiviral molecules within a monolayer of phosphorene is appropriately trained. The key aspect of utilizing machine learning (ML) in drug design revolves around training models that are efficient and precise in approximating density functional theory (DFT). Furthermore, the study employs SHAP (SHapley Additive exPlanations) to elucidate model predictions, providing insights into the contribution of each feature. To explore the interaction characteristics and thermodynamic properties of the hybrid drug, we employ molecular dynamics and DFT calculations in a vacuum interface. Our findings suggest that this functionalized 2D complex exhibits robust thermostability, indicating its potential as an effective and enabled entity. The observed variations in free energy at different surface charges and temperatures suggest the adsorption potential of FP and EB molecules from the surrounding environment. Full article
(This article belongs to the Special Issue Fabrication Strategies of Molecular Layers for Modern Medical Applications)
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21 pages, 3029 KiB  
Article
A Study of the Peculiarities of the Formation of a Hybrid Interface Based on Polydopamine between Dental Tissues and Dental Composites, Using IR and Raman Microspectroscopy, at the Submicron Level
by Pavel Seredin, Dmitry Goloshchapov, Nikita Buylov, Vladimir Kashkarov, Khidmet Shikhaliev, Andrey Potapov, Yuri Ippolitov, Viktor Kartsev, Sergey Kuyumchyan and Raul de Oliveira Freitas
Int. J. Mol. Sci. 2023, 24(14), 11636; https://doi.org/10.3390/ijms241411636 - 19 Jul 2023
Cited by 2 | Viewed by 1180
Abstract
The creation of buffer (hybrid) layers that provide improved adhesion to two heterogeneous materials is a promising and high-priority research area in the field of dental materials science. In our work, using FTIR and Raman microspectroscopy at the submicron level in a system [...] Read more.
The creation of buffer (hybrid) layers that provide improved adhesion to two heterogeneous materials is a promising and high-priority research area in the field of dental materials science. In our work, using FTIR and Raman microspectroscopy at the submicron level in a system of dental composites/intact dental enamel, we assessed the molecular features of formation and chemically visualized the hybrid interface formed on the basis of a nature-like adhesive, polydopamine (PDA). It is shown that a homogeneous bioinspired PDA–hybrid interface with an increased content of O-Ca-O bonds can be created using traditional methods of dental tissue pretreatment (diamond micro drilling, acid etching), as well as the subsequent alkalinization procedure and the developed synthesis technology. The development of the proposed technology for accelerated deposition of PDA–hybrid layers, as well as the creation of self-assembled biomimetic nanocomposites with antibacterial properties, may in the future find clinical application for minimally invasive dental restoration procedures. Full article
(This article belongs to the Special Issue Fabrication Strategies of Molecular Layers for Modern Medical Applications)
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19 pages, 3124 KiB  
Article
Synthesis and Evaluation of Clinically Translatable Targeted Microbubbles Using a Microfluidic Device for In Vivo Ultrasound Molecular Imaging
by Rakesh Bam, Arutselvan Natarajan, Farbod Tabesh, Ramasamy Paulmurugan and Jeremy J. Dahl
Int. J. Mol. Sci. 2023, 24(10), 9048; https://doi.org/10.3390/ijms24109048 - 20 May 2023
Cited by 2 | Viewed by 2290
Abstract
The main aim of this study is to synthesize contrast microbubbles (MB) functionalized with engineered protein ligands using a microfluidic device to target breast cancer specific vascular B7-H3 receptor in vivo for diagnostic ultrasound imaging. We used a high-affinity affibody (ABY) selected against [...] Read more.
The main aim of this study is to synthesize contrast microbubbles (MB) functionalized with engineered protein ligands using a microfluidic device to target breast cancer specific vascular B7-H3 receptor in vivo for diagnostic ultrasound imaging. We used a high-affinity affibody (ABY) selected against human/mouse B7-H3 receptor for engineering targeted MBs (TMBs). We introduced a C-terminal cysteine residue to this ABY ligand for facilitating site-specific conjugation to DSPE-PEG-2K-maleimide (M. Wt = 2.9416 kDa) phospholipid for MB formulation. We optimized the reaction conditions of bioconjugations and applied it for microfluidic based synthesis of TMBs using DSPE-PEG-ABY and DPPC liposomes (5:95 mole %). The binding affinity of TMBs to B7-H3 (MBB7-H3) was tested in vitro in MS1 endothelial cells expressing human B7-H3 (MS1B7-H3) by flow chamber assay, and by ex vivo in the mammary tumors of a transgenic mouse model (FVB/N-Tg (MMTV-PyMT)634Mul/J), expressing murine B7-H3 in the vascular endothelial cells by immunostaining analyses. We successfully optimized the conditions needed for generating TMBs using a microfluidic system. The synthesized MBs showed higher affinity to MS1 cells engineered to express higher level of hB7-H3, and in the endothelial cells of mouse tumor tissue upon injecting TMBs in a live animal. The average number (mean ± SD) of MBB7-H3 binding to MS1B7-H3 cells was estimated to be 354.4 ± 52.3 per field of view (FOV) compared to wild-type control cells (MS1WT; 36.2 ± 7.5/FOV). The non-targeted MBs did not show any selective binding affinity to both the cells (37.7 ± 7.8/FOV for MS1B7-H3 and 28.3 ± 6.7/FOV for MS1WT cells). The fluorescently labeled MBB7-H3 upon systemic injection in vivo co-localized to tumor vessels, expressing B7-H3 receptor, as validated by ex vivo immunofluorescence analyses. We have successfully synthesized a novel MBB7-H3 via microfluidic device, which allows us to produce on demand TMBs for clinical applications. This clinically translatable MBB7-H3 showed significant binding affinity to vascular endothelial cells expressing B7-H3 both in vitro and in vivo, which shows its potential for clinical translation as a molecular ultrasound contrast agent for human applications. Full article
(This article belongs to the Special Issue Fabrication Strategies of Molecular Layers for Modern Medical Applications)
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14 pages, 2401 KiB  
Article
Fully Aqueous Self-Assembly of a Gold-Nanoparticle-Based Pathogen Sensor
by Timothy Robson, Deepan S. H. Shah, Rebecca J. L. Welbourn, Sion R. Phillips, Luke A. Clifton and Jeremy H. Lakey
Int. J. Mol. Sci. 2023, 24(8), 7599; https://doi.org/10.3390/ijms24087599 - 20 Apr 2023
Viewed by 1561
Abstract
Surface plasmon resonance (SPR) is a very sensitive measure of biomolecular interactions but is generally too expensive for routine analysis of clinical samples. Here we demonstrate the simplified formation of virus-detecting gold nanoparticle (AuNP) assemblies on glass using only aqueous buffers at room [...] Read more.
Surface plasmon resonance (SPR) is a very sensitive measure of biomolecular interactions but is generally too expensive for routine analysis of clinical samples. Here we demonstrate the simplified formation of virus-detecting gold nanoparticle (AuNP) assemblies on glass using only aqueous buffers at room temperature. The AuNP assembled on silanized glass and displayed a distinctive absorbance peak due to the localized SPR (LSPR) response of the AuNPs. Next, assembly of a protein engineering scaffold was followed using LSPR and a sensitive neutron reflectometry approach, which measured the formation and structure of the biological layer on the spherical AuNP. Finally, the assembly and function of an artificial flu sensor layer consisting of an in vitro-selected single-chain antibody (scFv)-membrane protein fusion was followed using the LSPR response of AuNPs within glass capillaries. In vitro selection avoids the need for separate animal-derived antibodies and allows for the rapid production of low-cost sensor proteins. This work demonstrates a simple approach to forming oriented arrays of protein sensors on nanostructured surfaces that uses (i) an easily assembled AuNP silane layer, (ii) self-assembly of an oriented protein layer on AuNPs, and (iii) simple highly specific artificial receptor proteins. Full article
(This article belongs to the Special Issue Fabrication Strategies of Molecular Layers for Modern Medical Applications)
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