Design of molecularly imprinted polymers (MIP) using computational methods: A review of strategies and approaches

Wiley Interdisciplinary Reviews Computational Molecular Science, Год журнала: 2024, Номер 14(3)

Опубликована: Май 1, 2024

Abstract This paper focuses on the computationally assisted design of molecularly imprinted polymers (MIP), emphasizing selected strategies and chosen methods approach. In summary, this provides an overview MIP fabrication procedure, focusing key factors challenges, where includes a step‐by‐step process with extensive experimental procedures. brings challenges in optimizing conditions, such as selection monomer, cross‐linker, their relevant molar ratios to template solvent. Next, principles computational are elucidated explore potential applicability solving challenges. The approach can tackle problems optimize MIP's design. Finally, atomistic, quantum mechanical (QM), combined recent research studies overviewed stress strategies, analyses, results. It is demonstrated that optimization pre‐polymerization mixture by employing simulations significantly reduces trial‐and‐error experiments. Besides, higher selectivity sensitivity observed. polymerization resulting binding sites considered. Several models formed analyzed assess affinities representing modeled cavities. Combined QM/atomistic showed more flexibility versatility for realistic modeling accuracy. methodological advancement aligns green chemistry, offering cost‐effective time‐efficient solutions article categorized under: Structure Mechanism > Molecular Structures Computational Materials Science Statistical Mechanics Interactions

Язык: Английский

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Advances in the selection of functional monomers for molecularly imprinted polymers: A review

Journal of Separation Science, Год журнала: 2024, Номер 47(16)

Опубликована: Авг. 1, 2024

Molecularly imprinted polymers, a type of special polymer materials, are widely used in biosensing and other fields due to their ability specifically recognize target molecules, often called "artificial receptors.". Nowadays, researchers constantly exploring new design synthesis methods for molecularly materials improve the selectivity sensitivity materials. Among them, selection functional monomers has attracted great attention. This review comprehensively analyzes discusses monomers. The most commonly among different types templates screened based on structural properties template including ion-imprinted protein-imprinted bacterial polymers. rich binding sites group multifunctional also highlighted advance development molecular imprinting technology. article further explores current challenges prospects emphasizes multiplex experiments computer simulations as important directions future research. provides comprehensive information constructive guidelines selecting areas such analytical chemistry biosensors.

Язык: Английский

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Surface molecular imprinting technology integrated SERS sensing: emerging trends and future perspectives toward on-site hazardous analysis

TrAC Trends in Analytical Chemistry, Год журнала: 2024, Номер 179, С. 117866 - 117866

Опубликована: Июль 14, 2024

Язык: Английский

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Platelet-Rich Plasma and Electrochemical Biosensors: A Novel Approach to Ovarian Function Evaluation and Diagnostics

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(5), С. 2317 - 2317

Опубликована: Март 5, 2025

Preserving ovarian function is important to women's reproductive health. It necessary for fertility and maintaining the overall hormonal balance. Platelet-rich plasma (PRP) an autologous containing a predominately platelet concentrate prepared from fresh blood. has been observed that PRP injections into ovary can renew functional cells of cortical layer follicles reactivate production sex hormones. may improve woman's in case premature failure, condition after chemotherapy treatment, or during climacteric period. The main markers evaluate procedure's success are elevated anti-Müllerin hormone enlarged count level atrial ovaries. aim this review identify procedure point out electrochemical sensor techniques. Literature was selected depending on including excluding criteria; studies were sorted by topics two blocks: biomarkers electrochemistry. As acts as regenerative care, biosensors provide accurate, real-time data biological response therapy. biosensors' ability monitor levels follicle development serves objective effectiveness restoring function. Together, these approaches enable more precise evaluation health outcomes intervention.

Язык: Английский

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Recent Trends in Molecularly Imprinted Photoelectrochemical Sensors

TrAC Trends in Analytical Chemistry, Год журнала: 2025, Номер unknown, С. 118271 - 118271

Опубликована: Апрель 1, 2025

Язык: Английский

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Decentralized food safety and authentication on cellulose paper‐based analytical platform: A review

Comprehensive Reviews in Food Science and Food Safety, Год журнала: 2024, Номер 23(5)

Опубликована: Авг. 13, 2024

Abstract Food safety and authenticity analysis play a pivotal role in guaranteeing food quality, safeguarding public health, upholding consumer trust. In recent years, significant social progress has presented fresh challenges the realm of analysis, underscoring imperative requirement to devise innovative expedient approaches for conducting on‐site assessments. Consequently, cellulose paper‐based devices (PADs) have come into spotlight due their characteristics microchannels inherent capillary action. This review summarizes advances PADs various products, comprising fabrication strategies, detection methods such as mass spectrometry multi‐mode detection, sampling processing considerations, well applications screening factors assessing developed past 3 years. According above studies, face limited sample processing, inadequate multiplexing capabilities, workflow integration, while emerging innovations, use simplified pretreatment techniques, integration advanced nanomaterials, instruments portable spectrometer innovation multimodal methods, offer potential solutions are highlighted promising directions. underscores facilitating decentralized, cost‐effective, testing methodologies maintain standards. With progression interdisciplinary research, expected become essential platforms authentication thereby significantly enhancing global consumers.

Язык: Английский

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Molecularly Imprinted Polymers-based Biosensors for Gynecological Diagnostics and Monitoring

Talanta Open, Год журнала: 2024, Номер unknown, С. 100364 - 100364

Опубликована: Сен. 1, 2024

Язык: Английский

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Computational simulation-assisted template selection of magnetic MOFs molecularly imprinted materials applying the adsorption and detection of multiple fluoroquinolones

Food Chemistry, Год журнала: 2024, Номер 460, С. 140660 - 140660

Опубликована: Июль 27, 2024

Язык: Английский

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Formation of molecularly imprinted polymers: Strategies applied for the removal of protein template (review)

Advances in Colloid and Interface Science, Год журнала: 2024, Номер 337, С. 103386 - 103386

Опубликована: Дек. 24, 2024

Язык: Английский

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Advancements in synthesis of Molecularly Imprinted Polymer (MIPs) for highly selective alcohol sensors

Sensing and Bio-Sensing Research, Год журнала: 2024, Номер unknown, С. 100729 - 100729

Опубликована: Дек. 1, 2024

Язык: Английский

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