110

7,561 千元

科技發展-化學物質科學研究

2021/09/03

2022/11/15

曾宇鳳

化學局

蕭寶桂

國立臺灣大學

化學物質管理

綠色化學、安全替代、資料庫

Green chemistry、Safer alternatives、Database

郭天爵

02-33664888#403

cot@cmdm.csie.ntu.edu.tw

本研究計畫透過資料庫的建立與整合，協助建置綠色化學之安全替代策略及平臺。目標為透過安全替代的推動降低對環境的危害，實踐環境永續發展。計畫以綠色化學原則，建立高風險化學物質之安全替代化學物質搜尋、評估及篩選（Searching, assessment, and screening system for safer alternative chemicals，簡稱SAS）作業流程。計畫已完成1) 蒐集並研訂危害評估項目與建立基準a，蒐集本土毒化物毒理資料，與國際化學物毒理資料庫進行危害評估，包含歐洲、美國、日本、中國、紐西蘭、澳洲及其他重點國家。危害評估不足處，使用計算毒理學工具如定量結構活動關係 (Quantitative Structure-Activity Relationship, QSAR) 補足資料，2) 蒐集危害項目後為研訂風險評估項目與建立基準b，已由GreenScreen Benchmark公開分級規則，結合全球化學品調和機制 (Global Harmonized System of Classification and Labeling of Chemicals, GHS)，建立計算機制，目前已由GreenScreen提供免費公開預覽134個化學物作為驗證基準b，毒理資料與QSAR計算毒理輸入即可作為資料庫內各化學物之風險評估。GreenScreen的清單轉譯器提供世界各國政府限制使用之化學品清單，共34份危害化學物清單，目前計畫已完成18萬的化學物質危害與風險評估，下載已知的安全替代資料庫包括美國的ChemHAT (Chemical Hazard and Alternatives Toolbox)和ACToR (Aggregated Computational Toxicology Resource)以及歐盟的SubPortPlus (Substitution Support Portal)，安全替代物的部分有1050個是功能性可替代使用的化學物質，並執行QSAR計算，透過PubChem分子指紋計算獲得子結構相似性尋找安全替代物。另外計畫也使用Airflow工作流程框架，撰寫自動更新程式以便全自動化更新化學物、毒理資料，與限制使用化學物清單，以節省人力與維運成本。 　　計畫參考專家會議委員建議進行SAS作業流程修改，此外，並積極聯絡跨國企業，瞭解如何評估監管化學物危害與安全替代原則，以及參考如何設計評估工具，可幫助計畫建構更加完善之安全替代作業流程與資料庫，與最適合我國業界與因應市場需求、國際進出口需求之化學安全替代平臺。

綠色化學、安全替代、資料庫

110A022_1226v3_for_public.pdf

15MB

2023/2/24 上午 12:00:00

The study is based on the principles of green chemistry to establish a search, assessment, and screening system for safer alternative chemicals (SAS) operation processes for high-risk chemical substances. The establishment and integration of the databases will assist in developing green chemistry, reducing the harm to the environment, and practicing the balance of sustainable environmental development. This research project will continue and improve the previous research results. The study first collected predictive analyses commonly used international tools and databases, integrated management system, regulation, and framework including Europe, America, Japan, China, New Zealand, Australia, and other countries. The well-known classification and labeling of chemicals provide existing specifications and scoring criteria to predict the health and safety effects of chemical substances on biological systems or the environment implement green chemistry supplemented by international regulations. In this study, we follow the criteria from GreenScreen® for safer chemicals. The project has finished collecting and establishing the hazard assessments to include the Taiwan EPA toxicology database and international chemical/toxicology databases such as PubChem and US EPA CompTox databases. After integrating data from global and Taiwan toxicological databases, computational toxicological tools such as QSAR techniques will complete the incomplete hazard assessments for the next step. SAS provides a secure alternative chemical substance database that collects and integrates Taiwan-listed chemical substances for safer alternatives.

Green chemistry、Safer alternatives、Database