商用および実験用カルシウムシリケートセメントのpH予測
Clarice Ferreira Sabino1, Anastasiia Grymak2, Nikolaos Silikas3
1Faculty of Dentistry, National University of Singapore, Singapore.
まとめ
新しい機械学習モデルは,早期のpH値を用いて,カルシウムシリケートベースのセメント (CSC) の長期的なpHプロフィールを正確に予測します. このイノベーションはバイオマテリアルのテストを効率化し,先端のエンドドント材料の開発を支援します.
科学分野:
- バイオマテリアル科学
- 材料工学
- コンピュータ化学
背景:
- カルシウムシリケートベースのセメント (CSCs) は,アルカリ性のため,内歯科において極めて重要です.
- 材料開発と臨床応用において,長期のpHプロファイルを正確に予測することが不可欠です.
- 現在,pHの進化を評価する方法は時間がかかり,資源も要します.
研究 の 目的:
- CSCの長期的なpHプロファイルを予測するための機械学習 (ML) モデルを開発し,検証する.
- これらの予測のために初期段階のpH測定 (3時間および24時間) を利用する.
- CSCの試験期間と規模を短縮する.
主な方法:
- 抽出したpHとカルシウムイオン放出データ in vitro研究 (2014-2024年).
- Gradient Boosting Regressorsと連続的な多層パーセプトンを統合したハイブリッド・スタック・アンサンブルMLモデルを開発した.
- 表面積が異なる商業用および実験用CSCの実験データを用いてモデルを検証した.
主要な成果:
- MLモデルは高い予測精度を示した (R2値はそれぞれ72,168および672時間で0. 91,0. 89および0. 85).
- 実験的検証により,予測値と実際のpH値の強い相関 (R2 > 0. 80) が確認された.
- このモデルは,異なるCSC製剤とサンプルサイズで一貫したパフォーマンスを示した.
結論:
- 開発されたMLモデルは,初期のpHデータとサンプル表面積を使用して,CSCのアルカリ性の進化を効果的に予測します.
- このアプローチは,長期にわたる試験と広範なサンプル使用の必要性を大幅に削減します.
- このモデルは,加速された生体材料開発と次世代の内歯材料の設計をサポートします.
関連する概念動画
01:24Hydration of Cement
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01:15Fineness of Cement
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Direct...
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01:17Soundness of Cement
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01:21Aggregate Cement Ratio
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The Aggregate Cement ratio refers to the weight of aggregate divided by the weight of cement in a concrete mix. Altering this ratio has profound effects on the concrete's properties. This ratio plays a pivotal role in determining the strength, workability, and durability of concrete. When the Aggregate Cement ratio is higher, the mix is leaner, meaning it has less cement paste to lubricate the aggregate, potentially making the concrete less workable. Such mixes, known as lean, enhance the...
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01:20Strength of Cement
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Strength tests for cement are not performed directly on neat cement paste due to difficulty in obtaining consistent, reliable specimens. Instead, cement is typically tested in the form of cement-sand mortar.
For compressive strength tests, ASTM C 109-05 standards prescribe a cement-sand mix ratio of 1:2.75 and a water/cement ratio of 0.485 for making 2-inch cubes. These cubes are mixed, cast, and cured in saturated lime water at 23°C until testing. Flexural strength testing, outlined in...
For compressive strength tests, ASTM C 109-05 standards prescribe a cement-sand mix ratio of 1:2.75 and a water/cement ratio of 0.485 for making 2-inch cubes. These cubes are mixed, cast, and cured in saturated lime water at 23°C until testing. Flexural strength testing, outlined in...
214
01:18Porosity in Cement Paste
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The porosity of concrete is a measure of the void spaces within its structure. These spaces impact its strength and durability significantly. When water and cement interact, a chemical reaction called hydration creates a semi-solid paste. This paste includes combined water, making up approximately 23% of the cement's dry mass, and gel water, which fills minuscule voids known as gel pores, accounting for about 28% of the cement gel volume.
The balance of water to cement in the mix is...
The balance of water to cement in the mix is...
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