High-throughput robotic colourimetric titrations using computer vision†

IF 6.2 Q1 CHEMISTRY, MULTIDISCIPLINARY
Yuan Li, Biplab Dutta, Qi Jie Yeow, Rob Clowes, Charlotte E. Boott and Andrew I. Cooper
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Abstract

A high-throughput (HTE) robotic colourimetric titration workstation was developed using a commercial liquid handling robot (Opentrons OT-2) and computer vision-based analysis. While designed for multiple titration applications, hydrogen peroxide (H2O2) determination serves as the most elaborate and well-characterized demonstration of its capabilities. Specifically, potassium permanganate (KMnO4) redox titration was employed to quantify the hydrogen peroxide (H2O2) concentration, leveraging the distinct colourimetric transition from colourless to pale pink at the titration endpoint. To monitor this colour change, a webcam was installed on the OT-2 pipette mount, capturing real-time titration progress. Image analysis was enhanced through VGG-augmented UNet for segmentation and the CIELab colour model, ensuring robust and reproducible detection of subtle colour changes. The sensitivity test of the computer vision-aided colour analysis was strongly correlated to UV-vis spectroscopy (R2 = 0.9996), with a good linear dynamic range at low concentrations. The analytical accuracy of this workstation was ±11.9% in a 95% confidence interval and its corresponding absolute concentration difference was only 0.50 mM. To validate its real-world applicability, this workstation was first deployed to monitor the photoproduction of H2O2 over a conjugated polymer photocatalyst, DE7. In addition to performing redox titrations, we demonstrated that this workstation can also be used for acid–base titration and complexometric titration, capturing a diverse range of colour changes.

使用计算机视觉的高通量机器人比色滴定法
采用商用液体处理机器人(Opentrons OT-2)和基于计算机视觉的分析,开发了高通量(HTE)机器人比色滴定工作站。虽然设计用于多种滴定应用,过氧化氢(H2O2)的测定是其能力的最详细和最具特征的演示。具体来说,高锰酸钾(KMnO4)氧化还原滴定法用于定量过氧化氢(H2O2)浓度,利用在滴定终点从无色到淡粉色的明显比色转变。为了监测这种颜色变化,在OT-2移液器支架上安装了一个网络摄像头,实时捕捉滴定过程。通过vgg增强UNet进行分割和CIELab颜色模型,增强了图像分析,确保了对细微颜色变化的鲁棒性和可重复性检测。计算机视觉辅助色彩分析的灵敏度测试与紫外可见光谱具有较强的相关性(R2 = 0.9996),在低浓度下具有良好的线性动态范围。该工作站在95%置信区间内的分析精度为±11.9%,其对应的绝对浓度差仅为0.50 mM。为了验证其在现实世界中的适用性,该工作站首先用于监测共轭聚合物光催化剂DE7上H2O2的光生成。除了进行氧化还原滴定外,我们还证明了该工作站还可以用于酸碱滴定和络合滴定,捕捉各种颜色变化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
2.80
自引率
0.00%
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