Application of computational methods in the design of molecularly imprinted polymers

E Mohsenzadeh, V Ratautaite, E Brazys… - TrAC Trends in …, 2024 - Elsevier
This review aims to overview applications of computational methods, such as molecular
mechanics, molecular dynamics, Monte Carlo simulations, quantum mechanics, and …

[HTML][HTML] Engineering boron and nitrogen codoped carbon nanoarchitectures to tailor molecularly imprinted polymers for PFOS determination

M Pierpaoli, M Szopińska, A Olejnik, J Ryl… - Journal of Hazardous …, 2023 - Elsevier
Per-and polyfluoroalkyl substances (PFAS) have gained significant attention as emerging
contaminants due to their persistence, abundance, and adverse health effects …

[HTML][HTML] Recent advances in accelerating solid-phase extraction

J Zhou, Y Chang, H Tian, JH Qu, Q Wang… - Journal of …, 2024 - Elsevier
With the growing demand for rapid processing of laboratory samples, great efforts have
been dedicated to improving the speed and throughput of solid phase extraction (SPE), a …

Solving two industrial waste issues simultaneously: Coal gasification fine slag-based hierarchical porous composite with enhanced CO2 adsorption performance

Z Miao, J Wu, G Qiu, Z Guo, X Zhao, Y Zhang - Science of the Total …, 2022 - Elsevier
The coal gasification fine slag (FS) is industrial waste consisting of residual carbon (RC) and
slag particles (SP). High-performance hierarchical porous composite (HPC) was …

Choice of the functional monomer of molecularly imprinted polymers: Does it rely on strong acid-base or hydrogen bonding interactions?

M Boukadida, A Anene, N Jaoued-Grayaa… - Colloid and Interface …, 2022 - Elsevier
The choice of the functional monomer is a key point in the design of molecularly imprinted
polymers (MIPs) because its directional interactions with template molecules are required to …

ACEstat: a diy guide to unlocking the potential of integrated circuit potentiostats for open-source electrochemical analysis

EW Brown, MW Glasscott, K Conley, J Barr… - Analytical …, 2022 - ACS Publications
Miniaturization of analytical instrumentation is paramount to enabling convenient in-field
sensing. The recent thrust in potentiostat miniaturization for electrochemical sensing and …

Molecularly imprinted electrochemical sensor for the ultrasensitive detection of cytochrome c

D Campagnol, N Karimian, D Paladin, F Rizzolio… - …, 2022 - Elsevier
Cytochrome c (Cyt c) is an important biomarker for the early stage of apoptosis that plays a
role in the diagnosis and therapy of several diseases including cancer. Here, an …

PFAS Electroanalysis in Low-Oxygen River Water Using Electrogenerated Dioxygen

RB Clark, DC Wagner, DT Holden… - Environmental …, 2023 - ACS Publications
Per-and polyfluoroalkyl substances (PFAS), nicknamed “forever chemicals” due to the
strength of their carbon–fluorine bonds, are a class of potent micropollutants that cause …

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

E Mohsenzadeh, V Ratautaite, E Brazys… - Wiley …, 2024 - Wiley Online Library
This paper focuses on the computationally assisted design of molecularly imprinted
polymers (MIP), emphasizing the selected strategies and chosen methods of approach. In …

An ultrasensitive and disposable electrochemical aptasensor for prostate-specific antigen (PSA) detection in real serum samples

C Özyurt, İ Uludağ, MK Sezgintürk - Analytical and Bioanalytical Chemistry, 2023 - Springer
In this study, we constructed a disposable indium tin oxide polyethylene terephthalate film
(ITO-PET)-based electrochemical aptasensor for analyzing prostate-specific antigen (PSA) …