Computational Chemistry as Applied in Environmental Research: Opportunities and Challenges DOI
Christian Sandoval‐Pauker, Sheng Yin, Alexandria Castillo

и другие.

ACS ES&T Engineering, Год журнала: 2023, Номер 4(1), С. 66 - 95

Опубликована: Окт. 12, 2023

The constant development of computer systems and infrastructure has allowed computational chemistry to become an important component environmental research. In the past decade, application quantum classical mechanical calculations model understand increased exponentially. this review, we highlight various applications techniques in areas research (e.g., wastewater/air treatment, sensing, biodegradation). We briefly describe each approach, starting with principle methods followed by molecular mechanics (MM), dynamics (MD), hybrid QM/MM methods. recent introduction artificial intelligence machine learning their potential disrupt field are also discussed. Challenges current future directions address them presented.

Язык: Английский

SGLT2 inhibition ameliorates nano plastics-induced premature endothelial senescence and dysfunction DOI Creative Commons

Bikalpa Dhakal,

Saugat Shiwakoti,

Eun‐Young Park

и другие.

Scientific Reports, Год журнала: 2023, Номер 13(1)

Опубликована: Апрель 17, 2023

Abstract Nano plastics (NPs) have been a significant threat to human health and are known cause premature endothelial senescence. Endothelial senescence is considered one of the primary risk factors contributing numerous cardiovascular disorders. Recent studies suggested that inhibition sodium glucose co-transporter (SGLT2) ameliorates dysfunction. Therefore, our study intends explore role SGLT2 in NPs-induced Porcine coronary artery its cells were treated with NPs presence or absence Enavogliflozin (ENA), inhibitor then SGLTs expression, markers vascular function evaluated. significantly up-regulated ENA decreased senescence-associated- β ‐gal activity, cell‐cycle arrest, p53 p21 suggesting prevents In addition, formation reactive oxygen species downregulation Nox2, p22 phox . Furthermore, also up regulated nitric oxide synthase expression along improving function. conclusion, by is, at least part, associated it could be potential therapeutic target for preventing and/or treating environmental pollutants-induced disorders mediated

Язык: Английский

Процитировано

25

Separation and Identification of Nanoplastics via a Two-Phase System Combined with Surface-Enhanced Raman Spectroscopy DOI
Yu Liu,

Liqian Lin,

Bing Yang

и другие.

ACS Sustainable Chemistry & Engineering, Год журнала: 2024, Номер 12(4), С. 1595 - 1604

Опубликована: Янв. 18, 2024

Nanoplastics, novel environmental pollutants widely dispersed, present challenges due to limited, dependable detection methods, particularly for trace levels. This study introduces a approach that integrates liquid-phase self-assembly nanoparticle technology with surface-enhanced Raman spectroscopy (SERS) the precise of nanoplastics. Utilizing hydrophobic–lipophilic interactions and SERS technology, we developed silver nanoparticles (Ag NPs)@poly(methyl methacrylate) (PMMA) films NPs@PMMA films) efficient extraction simultaneous polystyrene (PS) polyethylene terephthalate (PET) nanoplastics at extremely low concentrations (e.g., 10–11 mg/mL 20 nm PS 10–8 70 PET nanoplastics). It also demonstrates linear correlation between intensity (y) logarithm nanoplastics' concentration (lg c) technique's applicability extends real samples, such as seawater, oysters, bottled water, enabling both qualitative quantitative For example, it successfully identifies 1.23 × 10–10 in seawater samples 8.61 10–5 bottled-water samples. Overall, these findings provide reliable basis nanoplastic environment, addressing pressing concern.

Язык: Английский

Процитировано

15

Bridging Smart Nanosystems with Clinically Relevant Models and Advanced Imaging for Precision Drug Delivery DOI Creative Commons

Qiaoxia Zhou,

Qiongliang Liu,

Yan Wang

и другие.

Advanced Science, Год журнала: 2024, Номер 11(14)

Опубликована: Янв. 28, 2024

Abstract Intracellular delivery of nano‐drug‐carriers (NDC) to specific cells, diseased regions, or solid tumors has entered the era precision medicine that requires systematic knowledge nano‐biological interactions from multidisciplinary perspectives. To this end, review first provides an overview membrane‐disruption methods such as electroporation, sonoporation, photoporation, microfluidic delivery, and microinjection with merits high‐throughput enhanced efficiency for in vitro NDC delivery. The impact characteristics including particle size, shape, charge, hydrophobicity, elasticity on cellular uptake are elaborated several types systems aiming hierarchical targeting vivo reviewed. Emerging ex human/animal‐derived pathophysiological models further explored highly recommended use studies since they might mimic features fill translational gaps animals humans. exploration modern microscopy techniques precise nanoparticle (NP) tracking at cellular, organ, organismal levels informs tailored development NDCs application clinical translation. Overall, integrates latest insights into smart nanosystem engineering, physiological models, imaging‐based validation tools, all directed towards enhancing efficient intracellular NDCs.

Язык: Английский

Процитировано

15

Quantitative and rapid detection of nanoplastics labeled by luminescent metal phenolic networks using surface-enhanced Raman scattering DOI
Haoxin Ye, Ehsan Banayan Esfahani,

Ivy Chiu

и другие.

Journal of Hazardous Materials, Год журнала: 2024, Номер 470, С. 134194 - 134194

Опубликована: Апрель 1, 2024

Язык: Английский

Процитировано

12

Characterizing planar SERS substrates: unraveling the link between physical characteristics and performance metrics DOI Creative Commons
Mehdi Feizpour, Qing Liu, Tom Van der Donck

и другие.

Journal of Physics Photonics, Год журнала: 2024, Номер 6(2), С. 025002 - 025002

Опубликована: Фев. 2, 2024

Abstract Surface-enhanced Raman spectroscopy (SERS) is a powerful optical sensing technique used in various applications, including medicine, microbiology, and environmental analysis. Planar SERS substrates are of particular interest due to their ease integration lab-on-chips better reproducibility compared colloidal SERS. The performance these quantified using metrics such as enhancement factor, sensitivity, reproducibility. However, there yet be consensus on how practically compare interpret publications experiments. These strongly influenced by the nanostructures’ material, architecture, element sizes, well circumstances surrounding Understanding effect characteristics substrates’ could not only enable but also direct development for different applications. Thus, we prepared planar SERS-substrate characterization methodology explore correlation between physical through coordinate-transformed spectroscopic measurements over structure-characterized areas. Seven commercial substrates, with surface architectures fabricated fabrication technologies, were studied this benchmarking methodology. results demonstrated can indicate substrate’s suitability specific application, thus, guiding further adaptations or development.

Язык: Английский

Процитировано

11

Monitoring Poly(methyl methacrylate) and Polyvinyl Dichloride Micro/Nanoplastics in Water by Direct Solid-Phase Microextraction Coupled to Gas Chromatography–Mass Spectrometry DOI
Shengrui Xu, Huimin Li, Xiao Li

и другие.

Analytical Chemistry, Год журнала: 2024, Номер 96(26), С. 10772 - 10779

Опубликована: Июнь 21, 2024

A simple, sustainable, and sensitive monitoring approach of micro/nanoplastics (MNPs) in aqueous samples is crucial since it helps assessing the extent contamination understanding potential risks associated with their presence without causing additional stress to environment. In this study, a novel strategy for qualitative quantitative determination MNPs water by direct solid-phase microextraction (SPME) coupled gas chromatography–mass spectrometry (GC-MS) was proposed first time. Spherical poly(methyl methacrylate) (PMMA) irregularly shaped polyvinyl dichloride (PVDC) were used evaluate feasibility performance method. The results demonstrated that both PMMA PVDC efficiently extracted homemade SPME coating nitrogen-doped porous carbons (N-SPCs) exhibited sufficient thermal decomposition GC-MS injection port. Excellent extraction performances N-SPCs are attributed hydrophobic cross-linking, electrostatic forcing, hydrogen bonding, pore trapping. Methyl methacrylate identified as marker PMMA, while 1,3-dichlorobenzene 1,3,5-trichlorobenzene indicators PVDC. Under optimal conditions, method ultrahigh sensitivity, limit detection 0.0041 μg/L 0.0054 Notably, programmed temperature injector developed discriminate eliminate interferences intrinsic indicator compounds. Owing integration sampling, extraction, injection, into one step SPME, demonstrates exceptional eliminating necessity complex sample pretreatment procedures use organic solvents. Finally, successfully applied real samples.

Язык: Английский

Процитировано

10

Nondestructive analysis of plastic debris from micro to nano sizes: A state-of-the-art review on Raman spectroscopy-based techniques DOI

Han Dai,

Huiyong Li, Wei Qiu

и другие.

TrAC Trends in Analytical Chemistry, Год журнала: 2024, Номер 176, С. 117750 - 117750

Опубликована: Май 7, 2024

Язык: Английский

Процитировано

9

Advances in SERS detection method combined with microfluidic technology for bio-analytical applications DOI

Xiawei Xu,

Songchen Zhao,

Yujiao Xie

и другие.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2025, Номер unknown, С. 125797 - 125797

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

1

Incognito forms of polyethylene small micro and nanoplastics in solvents: Changes in molecular vibrations DOI Creative Commons
Julie Peller,

Noah Durlam,

Yanni Flaherty

и другие.

The Science of The Total Environment, Год журнала: 2025, Номер 968, С. 178923 - 178923

Опубликована: Фев. 21, 2025

Plastic particles in the range of 1 nm to μm diameter are nano pollutants all environments, ubiquitous throughout air, waters and living organisms. The formation nanoplastics (NP) occurs different ways that include material abrasion, light exposure even from normal use plastic materials. In solvents, NP small microplastics (< 10 diameter) differ larger they can mix suspend, similar other colloidal sized particles. this study, we used mixing conditions our novel solubilization method generate polyethylene (PE) microplastic nanoplastic solutions (sM&NP), both water common organic solvents. sM&NP were examined using Raman spectroscopy microscopy, transmission electron microscopy (TEM) particle size analysis dynamic scattering (DLS) methods. data showed notable spectral changes compared solid PE, which indicates significant molecular morphological PE polymer when it is part these or suspensions. for signified a loss crystallinity, while aqueous suggest greater reorganization structure. These structural supported by TEM images appeared mostly amorphous with varying thickness. Importantly, changed spectra likely render them more difficult detect particularly real-world systems. findings indicate solubilized routinely modified solvent exposure, thereby interact differently materials, environments.

Язык: Английский

Процитировано

1

Recent advancements in SERS-based detection of micro- and nanoplastics in food and beverages: techniques, instruments, and machine learning integration DOI

Seyedehalaleh Kousheh,

Mengshi Lin

Trends in Food Science & Technology, Год журнала: 2025, Номер unknown, С. 104940 - 104940

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

1