The Royal Society of Chemistry最新文献

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Rolling and ordering of micro rods in shear flow induced by rod wall interactions. 微棒在棒壁相互作用诱导的剪切流中的滚动和排序。
IF 2.9 3区 化学
Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm00999a
Martin Wittmann, Igor M Kulić, Antonio Stocco, Juliane Simmchen
{"title":"Rolling and ordering of micro rods in shear flow induced by rod wall interactions.","authors":"Martin Wittmann, Igor M Kulić, Antonio Stocco, Juliane Simmchen","doi":"10.1039/d4sm00999a","DOIUrl":"10.1039/d4sm00999a","url":null,"abstract":"<p><p>Dynamics of micro particles close to interfaces is a relevant topic in Soft Matter. Translational and rotational dynamics of particles possessing different shapes govern a broad range of interfacial phenomena from biofilm formation, drug delivery and particle active rolling motion. These dynamics usually occur in the presence of external fields such as shear flows, electric fields and gravity. By experiments and theoretical models, we investigate the rolling and translational motion of rod-shaped micro particles close to a solid wall in the presence or absence of a shear flow. Hydrodynamics, long-range surface forces and Brownian motion act on the micro rods, which show non-trivial dynamics such as translational motion orthogonal to the flow direction and preferential ordering with the rod long axis perpendicular to the flow direction.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":"8990-8996"},"PeriodicalIF":2.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142556701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Long-lived unidirectional flow of active particles within long narrow channels. 活性颗粒在狭长通道内长期单向流动。
IF 2.9 3区 化学
Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm00879k
Man Xu, Ying Lan, Yuehua Yang, Hongyuan Jiang
{"title":"Long-lived unidirectional flow of active particles within long narrow channels.","authors":"Man Xu, Ying Lan, Yuehua Yang, Hongyuan Jiang","doi":"10.1039/d4sm00879k","DOIUrl":"10.1039/d4sm00879k","url":null,"abstract":"<p><p>Revealing the mechanism of directed transport of active matter is critical for advancing our fundamental understanding of non-equilibrium physics. Asymmetric microstructures are commonly used to rectify random movement of active particles. However, it remains unclear as to how to achieve unidirectional movement of active particles in long narrow channels. Here, we study the dynamics of active particles in a device which is divided into two chambers by V-shaped barriers and connected by a narrow channel. We find three distinct movement modes of active particles within this symmetric channel, including stochastic movement, self-sustained oscillation, and long-lived unidirectional flows. We demonstrate that the three movement modes are determined by the competition between the ratchet effect induced by the V-shaped barriers and the particle transport mediated by the long-narrow channel. Finally, we show that the unidirectional particle flow can serve as an \"energy battery\" to continuously supply energy for the directed transport of other objects. Our findings offer valuable insights into a unique approach for realizing unidirectional movement of active matter and open new avenues for application in microfluidics and material transport.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":"9022-9027"},"PeriodicalIF":2.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142566575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ring-shaped nanoparticle assembly and cross-linking on lipid vesicle scaffolds. 脂质囊支架上的环形纳米粒子组装和交联。
IF 2.9 3区 化学
Soft Matter Pub Date : 2024-11-20 DOI: 10.1039/d4sm01010h
Gizem Karabiyik, Aldo Jesorka, Irep Gözen
{"title":"Ring-shaped nanoparticle assembly and cross-linking on lipid vesicle scaffolds.","authors":"Gizem Karabiyik, Aldo Jesorka, Irep Gözen","doi":"10.1039/d4sm01010h","DOIUrl":"10.1039/d4sm01010h","url":null,"abstract":"<p><p>We show the assembly of carboxylate-modified polystyrene nanoparticles into flexible circular, ring-shaped structures with micrometer sized diameters around the base of surface-adhered lipid vesicles. The rings remain around the vesicles but disintegrate when the lipid membranes are dissolved in detergent. The aqueous medium allows carbodiimide-based cross-linking chemistry to be applied to the particle assemblies resulting in the preservation of the rings even after the lipid compartments are dissolved.</p>","PeriodicalId":103,"journal":{"name":"Soft Matter","volume":" ","pages":"8947-8951"},"PeriodicalIF":2.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Wearable threads for monitoring sanitizer quality using dye displacement assay† 利用染料置换测定法监测消毒剂质量的可穿戴线†。
IF 3.9 3区 化学
RSC Advances Pub Date : 2024-11-20 DOI: 10.1039/D4RA04379K
Pratham Joshi, Akhiya Shinde, Sukanya Sudhiram, Bibhu Ranjan Sarangi and Naresh Kumar Mani
{"title":"Wearable threads for monitoring sanitizer quality using dye displacement assay†","authors":"Pratham Joshi, Akhiya Shinde, Sukanya Sudhiram, Bibhu Ranjan Sarangi and Naresh Kumar Mani","doi":"10.1039/D4RA04379K","DOIUrl":"https://doi.org/10.1039/D4RA04379K","url":null,"abstract":"<p >This study employs zero-cost (≈0.01 $) and durable thread-based devices to evaluate the quality of simulated and commercial sanitizer samples through dye displacement assay (DDA). A diverse range of sanitizer compositions, including ethanol concentrations of 55%, 75%, and 95% (v/v), were analysed. This investigation encompasses an assessment of the marker type (Doms and Hauser brands) on the migration distance of the dye region marked on thread devices. Our results demonstrate a proportional increase in the migration distance of the dye with increasing ethanol concentrations due to a decrease in the coefficient of viscosity and solvation power of ethanol on dye molecules. Additionally, a field trial for the thorough assessment of commercial sanitizer quality using thread-based devices further underscores the efficacy of this methodology. A calibration plot for a braided thread with Doms marker dye provides a reliable means to quantitatively assess the ethanol content in different commercial sanitizer compositions. Our findings collectively highlight the significance of this innovative method as a valuable tool for quality control and assessment for public health and hygiene as well as for preparing us for another pandemic.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 37155-37163"},"PeriodicalIF":3.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra04379k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sea foam contains hemoglycin from cosmic dust† 海洋泡沫含有来自宇宙尘埃的血甘肽†。
IF 3.9 3区 化学
RSC Advances Pub Date : 2024-11-20 DOI: 10.1039/D4RA06881E
Julie E. M. McGeoch and Malcolm W. McGeoch
{"title":"Sea foam contains hemoglycin from cosmic dust†","authors":"Julie E. M. McGeoch and Malcolm W. McGeoch","doi":"10.1039/D4RA06881E","DOIUrl":"https://doi.org/10.1039/D4RA06881E","url":null,"abstract":"<p >In-falling cosmic dust has left evidence of meteoritic polymer amide in stromatolites, both fossil and modern. In search of evidence for continued present day in-fall, sea foam was collected from two beaches in Rhode Island and subjected to Folch extraction to concentrate amphiphilic components in a chloroform water–methanol interphase layer. Hemoglycin polymer amide molecules previously characterized by MALDI mass spectrometry in meteorites and stromatolites were identified in sea foam either directly, or <em>via</em> their fragmentation patterns. Residual isotope enrichment pointed to an extra-terrestrial origin. The unique resiliency of sea foam may be due to the formation of extended hemoglycin lattices that stabilize its closed-cell structure and its lightness can potentially be explained by photolytic hydrogen production.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36919-36929"},"PeriodicalIF":3.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06881e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nanozymes: a promising solution for dental antibacterial applications 纳米酶:牙科抗菌应用的理想解决方案
IF 3.9 3区 化学
RSC Advances Pub Date : 2024-11-20 DOI: 10.1039/D4RA07303G
Lipeng Liu, Yaoyuan Zhang, Tianjuan Ju, Xutao Chen, Xinwei Li and Li-an Wu
{"title":"Nanozymes: a promising solution for dental antibacterial applications","authors":"Lipeng Liu, Yaoyuan Zhang, Tianjuan Ju, Xutao Chen, Xinwei Li and Li-an Wu","doi":"10.1039/D4RA07303G","DOIUrl":"https://doi.org/10.1039/D4RA07303G","url":null,"abstract":"<p >Dental diseases pose significant public health challenges globally, affecting millions with conditions exacerbated by microbial-induced inflammation. Traditional natural enzymes, despite their antibacterial and anti-inflammatory capabilities, are limited by operational stability and environmental sensitivity. This review explores the revolutionary realm of nanozyme-artificial enzymes made from nanomaterials-which offer enhanced stability, cost-effectiveness, and ease of modification. We discuss the advent of nanozymes since their first recognition in 2007, emphasizing their enzyme-mimicking capabilities and applications in dental medicine, particularly for dental caries, pulpitis, periodontitis and peri-implantitis. This paper presents a comprehensive analysis of nanozymes' classification, mechanisms, and emerging applications, shedding light on their potential to revolutionize dental antibacterial treatments and addressing current challenges and future perspectives in their development.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36945-36959"},"PeriodicalIF":3.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra07303g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Production of aromatic hydrocarbons from catalytic fast pyrolysis of microalgae over Fe-modified HZSM-5 catalysts 在 Fe 改性 HZSM-5 催化剂上催化快速热解微藻类生产芳香烃
IF 3.9 3区 化学
RSC Advances Pub Date : 2024-11-20 DOI: 10.1039/D4RA06815G
Xinyun Wang, Chuan Li, Jiliang Yang, Yefeng Liu, Jinpei Hei, Shiqi Huang and Daming Gao
{"title":"Production of aromatic hydrocarbons from catalytic fast pyrolysis of microalgae over Fe-modified HZSM-5 catalysts","authors":"Xinyun Wang, Chuan Li, Jiliang Yang, Yefeng Liu, Jinpei Hei, Shiqi Huang and Daming Gao","doi":"10.1039/D4RA06815G","DOIUrl":"https://doi.org/10.1039/D4RA06815G","url":null,"abstract":"<p >In this study, catalytic fast pyrolysis of the microalga <em>C. pyrenoidosa</em> over Fe-modified HZSM-5 catalysts was performed to produce aromatic hydrocarbons using analytical pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS). Fe-modified HZSM-5 catalysts were prepared using wet impregnation and characterized through X-ray diffraction (XRD), scanning electron microscopy (SEM), N<small><sub>2</sub></small> adsorption–desorption and temperature-programmed desorption of ammonia (NH<small><sub>3</sub></small>-TPD) analysis. The effect of Fe loading (3, 5, 8, and 12 wt%) and pyrolysis temperature (450, 500, 550, 600 °C) on the content of pyrolysis products and the content and selectivity of aromatics was examined. Results showed that the parent HZSM-5 catalyst structure remained intact upon increasing Fe loading, although its specific surface area, micropore volume and average pore diameter decreased. In addition, its external specific surface area and total pore volume increased. The modification of Fe metal increased the total acid amount, especially strong acid sites, which were highest when Fe loading was 8 wt%. The prepared Fe-modified HZSM-5 catalysts exhibited pronounced deoxygenation and denitrogenation effects, which significantly decreased the acid, aldehyde, ketone, furan and nitrogenous compounds, thus improving the production of monocyclic aromatic hydrocarbons (MAHs) while effectively suppressing the formation of polycyclic aromatic hydrocarbons (PAHs). The highest content of aromatic hydrocarbons was obtained with an Fe loading of 8 wt% and pyrolysis temperature of 500 °C, which was 42.5%. As Fe loading increased, benzene selectivity decreased, while the selectivity of toluene and xylene first increased and then decreased. With an increase in pyrolysis temperature, benzene selectivity increased, whereas toluene and xylene selectivity increased at first and then decreased. Reaction mechanisms for the formation of aromatic hydrocarbons during the catalytic pyrolysis of microalgae are put forward. This research revealed that catalytic fast pyrolysis of microalgae over Fe-modified HZSM-5 catalysts is an effective method to produce MAHs.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 36970-36979"},"PeriodicalIF":3.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06815g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimizing the optoelectronic properties of broadband FeS2/Si photodetectors via deposition temperature tuning in chemical bath deposition 在化学沉积过程中通过调整沉积温度优化宽带 FeS2/Si 光电探测器的光电特性
IF 3.9 3区 化学
RSC Advances Pub Date : 2024-11-20 DOI: 10.1039/D4RA06930G
Mustafa W. Fatehi, Huda Saadi Ali and Raid A. Ismail
{"title":"Optimizing the optoelectronic properties of broadband FeS2/Si photodetectors via deposition temperature tuning in chemical bath deposition","authors":"Mustafa W. Fatehi, Huda Saadi Ali and Raid A. Ismail","doi":"10.1039/D4RA06930G","DOIUrl":"https://doi.org/10.1039/D4RA06930G","url":null,"abstract":"<p >This study investigates the fabrication and characterization of n-FeS<small><sub>2</sub></small>/p-Si heterojunction photodetectors using chemical bath deposition (CBD) at deposition temperatures ranging from 50 °C to 80 °C. The impact of temperature on the structural, morphological, and optical properties of FeS<small><sub>2</sub></small> thin films was evaluated. X-ray diffraction (XRD) revealed polycrystalline cubic FeS<small><sub>2</sub></small> with improved crystallinity as the deposition temperature increased. The optical energy gaps of the films ranged from 2.41 eV to 1.6 eV, decreasing with higher temperatures. Scanning electron microscopy (FE-SEM) showed that grain size increased from 30 nm to 180 nm as the temperature rose. Hall effect measurements confirmed the n-type conductivity of the film, with mobility decreasing from 5 to 3.17 cm<small><sup>2</sup></small> V<small><sup>−1</sup></small> s<small><sup>−1</sup></small> at higher temperatures. The heterojunctions exhibited rectifying behavior, with the best ideality factor of 1.7 observed at 60 °C. The photodetector fabricated at 60 °C showed superior performance, with a responsivity of 0.37 A W<small><sup>−1</sup></small> at 520 nm and 0.7 A W<small><sup>−1</sup></small> at 770 nm, an external quantum efficiency of 52%, and a detectivity of 8 × 10<small><sup>11</sup></small> Jones at 520 nm, making it the optimal configuration for efficient broadband photodetection.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 50","pages":" 37019-37034"},"PeriodicalIF":3.9,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ra/d4ra06930g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A dual-emission carbon dots/gold nanoclusters fluorescent probe for ratiometric and colorimetric detection of Pb2+ and Hg2. 用于比率和比色法检测 Pb2+ 和 Hg2 的碳点/金纳米团簇双发射荧光探针。
IF 2.7 3区 化学
Analytical Methods Pub Date : 2024-11-19 DOI: 10.1039/d4ay01638f
Hongxin Cai, Yixin Shao, Lingling Yan, Hang Yu, Qiang Hu, Yongqiang Wang, Xiude Tu
{"title":"A dual-emission carbon dots/gold nanoclusters fluorescent probe for ratiometric and colorimetric detection of Pb<sup>2+</sup> and Hg<sup>2</sup>.","authors":"Hongxin Cai, Yixin Shao, Lingling Yan, Hang Yu, Qiang Hu, Yongqiang Wang, Xiude Tu","doi":"10.1039/d4ay01638f","DOIUrl":"10.1039/d4ay01638f","url":null,"abstract":"<p><p>A novel fluorescent probe, carbon dots/gold nanoclusters (CDs/AuNCs), was prepared for ratiometric and colorimetric detection of Pb<sup>2+</sup> and Hg<sup>2+</sup> simultaneously. The as-prepared probe exhibited two distinct emission peaks at 445 nm and 610 nm. During the detection process, Pb<sup>2+</sup> could quench blue fluorescence due to the formation of the CDs-Pb<sup>2+</sup> complex and does not affect orange fluorescence. Conversely, Hg<sup>2+</sup> could quench the orange fluorescence greatly due to the Hg<sup>2+</sup>-Au<sup>+</sup> metallophilic interaction and keep blue fluorescence unaffected. Accordingly, ratiometric fluorescence sensing approaches of Pb<sup>2+</sup> and Hg<sup>2+</sup> are achieved and dramatic color changes from pink to orange/blue can be observed under UV illumination upon the addition of Pb<sup>2+</sup>/Hg<sup>2+</sup>. Furthermore, good linear relationships between the fluorescence intensity ratio (<i>I</i><sub>610</sub>/<i>I</i><sub>445</sub>) and Pb<sup>2+</sup>/Hg<sup>2+</sup> concentration were demonstrated in ranges of 0-130 nM for Pb<sup>2+</sup> and 0 to 280 nM for Hg<sup>2+</sup>, with detection limits of 6.5 nM for Pb<sup>2+</sup> and 3.7 nM for Hg<sup>2+</sup>, respectively. The probe showed excellent selectivity and the mutual interference problem of coexistence of Pb<sup>2+</sup> and Hg<sup>2+</sup> could be effectively solved by introducing masking agents. In addition, the application of CDs/AuNCs proved successful in detecting Pb<sup>2+</sup> and Hg<sup>2+</sup> in actual water samples, yielding satisfactory recovery rates. These results indicated that the probe provides a new approach for visualizing and semi-quantitatively detecting Pb<sup>2+</sup> and Hg<sup>2+</sup>, making it highly promising for monitoring environmental water samples.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deamidation analysis of therapeutic drugs using matrix-assisted laser desorption ionization mass spectrometry and a novel algorithm QuanDA. 利用基质辅助激光解吸电离质谱法和新型算法 QuanDA 对治疗药物进行脱酰胺分析。
IF 2.7 3区 化学
Analytical Methods Pub Date : 2024-11-19 DOI: 10.1039/d4ay01595a
Han Zhang, Yinran Xiong, Xiaonan Shi, Lijia Zhu, Qiong Wu, Ting Wu, Yiping Du
{"title":"Deamidation analysis of therapeutic drugs using matrix-assisted laser desorption ionization mass spectrometry and a novel algorithm QuanDA.","authors":"Han Zhang, Yinran Xiong, Xiaonan Shi, Lijia Zhu, Qiong Wu, Ting Wu, Yiping Du","doi":"10.1039/d4ay01595a","DOIUrl":"10.1039/d4ay01595a","url":null,"abstract":"<p><p>A robust deamidation quantification method, called QuanDA, was developed to quantify the spontaneous nonenzymatic deamidation of peptides based on the isotopic distribution change of peptides in matrix-assisted laser desorption ionization (MALDI) mass spectra and non-negative least squares calculation. The predictive model of QuanDA using theoretical spectra of pure un-deamidated and deamidated peptides for a series of simulated partial deamidated peptides is satisfying, with a coefficient of determination (<i>R</i><sup>2</sup>) and root mean squared error (RMSE) of 0.9914 and 0.03356, respectively. It was applicable in cases where there is a lack of reference standards of un-deamidated and deamidated peptides. The only requirements were the chemical formulae of un-deamidated and deamidated peptides for isotopic pattern calculation. QuanDA provided a rapid, low-cost and easily accessible method for deamidation analysis in therapeutic drugs.</p>","PeriodicalId":64,"journal":{"name":"Analytical Methods","volume":" ","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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