Chiral Monolithic Silica-Based HPLC Columns for Enantiomeric Separation and Determination: Functionalization of Chiral Selector and Recognition of Selector-Selectand Interaction

Asmari, Mufarreh; Wang, Xiaoyu; Casado, Natalia; Piponski, Marjan; Коваленко, С. И.; Logoyda, Liliya; Hanafi, Rasha S.; Deeb, Sami El

doi:10.3390/molecules26175241

Cited by 16 publications

(5 citation statements)

References 108 publications

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“…In this context, the identification, detection, and separation of chiral compounds have long been the subjects of research. Previously, the chiral identification of enantiomers mainly relied on chromatographic separation [ 84 , 85 , 86 ], but the detection conditions involved were harsh and the process was time-consuming [ 87 ]. Fortunately, enantioselective fluorescent identification is a new method for chiral identification that features high sensitivity and a simple operation [ 88 , 89 ].…”

Section: Medical Applications Of Biomimetic Chiral Self-assembled Par...mentioning

confidence: 99%

Biomimetic Self-Assembled Chiral Inorganic Nanomaterials: A New Strategy for Solving Medical Problems

et al. 2022

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The rapid expansion of the study of chiral inorganic structures has led to the extension of the functional boundaries of inorganic materials. Nature-inspired self-assembled chiral inorganic structures exhibit diverse morphologies due to their high assembly efficiency and controlled assembly process, and they exhibit superior inherent properties such as mechanical properties, chiral optical activity, and chiral fluorescence. Although chiral self-assembled inorganic structures are becoming more mature in chiral catalysis and chiral optical regulation, biomedical research is still in its infancy. In this paper, various forms of chiral self-assembled inorganic structures are summarized, which provides a structural starting point for various applications of chiral self-assembly inorganic structures in biomedical fields. Based on the few existing research statuses and mechanism discussions on the chiral self-assembled materials-mediated regulation of cell behavior, molecular probes, and tumor therapy, this paper provides guidance for future chiral self-assembled structures to solve the same or similar medical problems. In the field of chiral photonics, chiral self-assembled structures exhibit a chirality-induced selection effect, while selectivity is exhibited by chiral isomers in the medical field. It is worth considering whether there is some correspondence or juxtaposition between these phenomena. Future chiral self-assembled structures in medicine will focus on the precise treatment of tumors, induction of soft and hard tissue regeneration, explanation of the biochemical mechanisms and processes of its medical effects, and improvement of related theories.

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Section: Medical Applications Of Biomimetic Chiral Self-assembled Par...mentioning

confidence: 99%

Biomimetic Self-Assembled Chiral Inorganic Nanomaterials: A New Strategy for Solving Medical Problems

et al. 2022

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“…The application of NMR spectroscopy for this purpose has been summarized in [3][4][5][6] and reviews on molecular modeling approaches for separation sciences can be found in [6][7][8][9][10][11]. Within the reviewed period of time, the progress in the development of chiral stationary phases (CSPs) for highperformance liquid chromatography (HPLC) [26][27][28] and gas chromatography [29] was provided and an overview of chiral mobile phase additives in chromatography was published [30].…”

Section: Introductionmentioning

confidence: 99%

Update on chiral recognition mechanisms in separation science

Scriba

2024

J of Separation Science

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The stereospecific analysis of chiral molecules is an important issue in many scientific fields. In separation sciences, this is achieved via the formation of transient diastereomeric complexes between a chiral selector and the selectand enantiomers driven by molecular interactions including electrostatic, ion‐dipole, dipole‐dipole, van der Waals or π‐π interactions as well as hydrogen or halogen bonds depending on the nature of selector and selectand. Nuclear magnetic resonance spectroscopy and molecular modeling methods are currently the most frequently applied techniques to understand the selector‐selectand interactions at a molecular level and to draw conclusions on the chiral separation mechanism. The present short review summarizes some of the recent achievements for the understanding of the chiral recognition of the most important chiral selectors combining separation techniques with molecular modeling and/or spectroscopic techniques dating between 2020 and early 2024. The selectors include polysaccharide derivatives, cyclodextrins, macrocyclic glycopeptides, proteins, donor‐acceptor type selectors, ion‐exchangers, crown ethers, and molecular micelles. The application of chiral ionic liquids and chiral deep eutectic solvents, as well as further selectors, are also briefly addressed. A compilation of all published literature on chiral selectors has not been attempted.

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“…Computational MD simulations offer a valuable tool to investigate drug delivery mechanisms at the molecular level. They serve as an alternative to expensive and time-consuming experimental procedures, allowing for the estimation of optimized conditions for the designed systems [ 15 , 16 , 17 , 18 , 19 ]. These simulations offer valuable insights into the nature of diverse systems formed by high-energy interactions, and their results are consistent with experimental data [ 20 , 21 ].…”

Section: Introductionmentioning

confidence: 99%

Computational Insight of Phase Transformation and Drug Release Behaviour of Doxycycline-Loaded Ibuprofen-Based In-Situ Forming Gel

Puyathorn,

Tamdee,

Sirirak

et al. 2023

Pharmaceutics

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This research investigates the gel formation behaviour and drug-controlling performance of doxycycline-loaded ibuprofen-based in-situ forming gels (DH-loaded IBU-based ISGs) for potential applications in periodontal treatment. The investigation begins by exploring the physical properties and gel formation behaviour of the ISGs, with a particular focus on determining their sustained release capabilities. To gain a deeper understanding of the molecular interactions and dynamics within the ISGs, molecular dynamic (MD) simulations are employed. The effects of adding IBU and DH on reducing surface tension and water tolerance properties, thus affecting molecular properties. The phase transformation phenomenon is observed around the interface, where droplets of ISGs move out to the water phase, leading to the precipitation of IBU around the interface. The optimization of drug release profiles ensures sustained local drug release over seven days, with a burst release observed on the first day. Interestingly, different organic solvents show varying abilities to control DH release, with dimethyl sulfoxide (DMSO) demonstrating superior control compared to N-Methyl-2-pyrrolidone (NMP). MD simulations using AMBER20 software provide valuable insights into the movement of individual molecules, as evidenced by root-mean-square deviation (RMSD) values. The addition of IBU to the system results in the retardation of IBU molecule movement, particularly evident in the DMSO series, with the diffusion constant value of DH reducing from 1.2452 to 0.3372 and in the NMP series from 0.3703 to 0.2245 after adding IBU. The RMSD values indicate a reduction in molecule fluctuation of DH, especially in the DMSO system, where it decreases from over 140 to 40 Å. Moreover, their radius of gyration is influenced by IBU, with the DMSO system showing lower values, suggesting an increase in molecular compactness. Notably, the DH-IBU configuration exhibits stable pairing through H-bonding, with a higher amount of H-bonding observed in the DMSO system, which is correlated with the drug retardation efficacy. These significant findings pave the way for the development of phase transformation mechanistic studies and offer new avenues for future design and optimization formulation in the ISG drug delivery systems field.

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Chiral Monolithic Silica-Based HPLC Columns for Enantiomeric Separation and Determination: Functionalization of Chiral Selector and Recognition of Selector-Selectand Interaction

Cited by 16 publications

References 108 publications

Biomimetic Self-Assembled Chiral Inorganic Nanomaterials: A New Strategy for Solving Medical Problems

Biomimetic Self-Assembled Chiral Inorganic Nanomaterials: A New Strategy for Solving Medical Problems

Update on chiral recognition mechanisms in separation science

Computational Insight of Phase Transformation and Drug Release Behaviour of Doxycycline-Loaded Ibuprofen-Based In-Situ Forming Gel

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