Alex Zabeo , Georgia Tsiliki , Andrea Brunelli , Elena Badetti , José Balbuena , Danail Hristozov
{"title":"利用非对称西格莫函数进行归一化相似性评估,为先进的多组分纳米材料分组提供信息","authors":"Alex Zabeo , Georgia Tsiliki , Andrea Brunelli , Elena Badetti , José Balbuena , Danail Hristozov","doi":"10.1016/j.impact.2024.100519","DOIUrl":null,"url":null,"abstract":"<div><p>This manuscript presents a procedure for similarity assessment as a basis for grouping of multi component nanomaterials (MCNMs). This methodology is an adaptation of the approach by Zabeo et al. (2022), which includes an impactful change: the calculated similarities are normalised in the [0,1] domain by means of asymmetric Logistic scaling to simplify comparisons among properties' distances. This novel approach allows for grouping of nanomaterials that is not affected by the dataset, so that group membership will not change when new candidates are included in the set of assessed materials. It can be applied to assess groups of MCNMs as well as mixed groups of multi and single component nanomaterials as well as chemicals. To facilitate the application of the proposed methodology, a software script was developed by using the Python programming language, which is currently undergoing migration to a user-friendly web-based tool. The presented approach was tested against a real industrial case study provided by the Andalusian Innovation Centre for Sustainable Solution (CIAC): SiO<sub>2</sub>-ZnO hybrid nanocomposite used in building coatings, which is designed to facilitate photocatalytic removal of NOx gases from the atmosphere. The results of applying the methodology in the case study demonstrated that ZnO is dissimilar from the other candidates mainly due to its different dissolution profiles.</p></div>","PeriodicalId":18786,"journal":{"name":"NanoImpact","volume":"35 ","pages":"Article 100519"},"PeriodicalIF":4.7000,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Normalised similarity assessment to inform grouping of advanced multi-component nanomaterials by means of an Asymmetric Sigmoid function\",\"authors\":\"Alex Zabeo , Georgia Tsiliki , Andrea Brunelli , Elena Badetti , José Balbuena , Danail Hristozov\",\"doi\":\"10.1016/j.impact.2024.100519\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This manuscript presents a procedure for similarity assessment as a basis for grouping of multi component nanomaterials (MCNMs). This methodology is an adaptation of the approach by Zabeo et al. (2022), which includes an impactful change: the calculated similarities are normalised in the [0,1] domain by means of asymmetric Logistic scaling to simplify comparisons among properties' distances. This novel approach allows for grouping of nanomaterials that is not affected by the dataset, so that group membership will not change when new candidates are included in the set of assessed materials. It can be applied to assess groups of MCNMs as well as mixed groups of multi and single component nanomaterials as well as chemicals. To facilitate the application of the proposed methodology, a software script was developed by using the Python programming language, which is currently undergoing migration to a user-friendly web-based tool. The presented approach was tested against a real industrial case study provided by the Andalusian Innovation Centre for Sustainable Solution (CIAC): SiO<sub>2</sub>-ZnO hybrid nanocomposite used in building coatings, which is designed to facilitate photocatalytic removal of NOx gases from the atmosphere. The results of applying the methodology in the case study demonstrated that ZnO is dissimilar from the other candidates mainly due to its different dissolution profiles.</p></div>\",\"PeriodicalId\":18786,\"journal\":{\"name\":\"NanoImpact\",\"volume\":\"35 \",\"pages\":\"Article 100519\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2024-06-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"NanoImpact\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2452074824000296\",\"RegionNum\":3,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENVIRONMENTAL SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"NanoImpact","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2452074824000296","RegionNum":3,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
Normalised similarity assessment to inform grouping of advanced multi-component nanomaterials by means of an Asymmetric Sigmoid function
This manuscript presents a procedure for similarity assessment as a basis for grouping of multi component nanomaterials (MCNMs). This methodology is an adaptation of the approach by Zabeo et al. (2022), which includes an impactful change: the calculated similarities are normalised in the [0,1] domain by means of asymmetric Logistic scaling to simplify comparisons among properties' distances. This novel approach allows for grouping of nanomaterials that is not affected by the dataset, so that group membership will not change when new candidates are included in the set of assessed materials. It can be applied to assess groups of MCNMs as well as mixed groups of multi and single component nanomaterials as well as chemicals. To facilitate the application of the proposed methodology, a software script was developed by using the Python programming language, which is currently undergoing migration to a user-friendly web-based tool. The presented approach was tested against a real industrial case study provided by the Andalusian Innovation Centre for Sustainable Solution (CIAC): SiO2-ZnO hybrid nanocomposite used in building coatings, which is designed to facilitate photocatalytic removal of NOx gases from the atmosphere. The results of applying the methodology in the case study demonstrated that ZnO is dissimilar from the other candidates mainly due to its different dissolution profiles.
期刊介绍:
NanoImpact is a multidisciplinary journal that focuses on nanosafety research and areas related to the impacts of manufactured nanomaterials on human and environmental systems and the behavior of nanomaterials in these systems.