晶体海绵吸收客体的统计优化：分级结构结果。

IF 2.9 2区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

IUCrJ Pub Date : 2024-07-01 DOI:10.1107/S2052252524004871

Robert C. Carroll , Simon J. Coles , P. Lightfoot (Editor)

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引用次数: 0

摘要

利用统计实验设计模型对结晶海绵{[(ZnI2)3(tpt)2-x(溶剂)]n}法的分析物浸泡条件进行了研究，为深入了解实验变量的影响提供了基础。这种方法侧重于通过 60 次实验（20 种独特条件）测试单一分析物，以确定对成功率和整体客体结构质量的主要影响。在此基础上，开发出了一种新的分子结构分级系统，可对客体交换质量进行量化。

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Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes

A statistical design of experiments approach applied to crystalline sponge analysis enables greater understanding of experimental influences and the development of a novel molecular structure quality grading system.

Investigation of the analyte soaking conditions on the crystalline sponge {[(ZnI₂)₃(tpt)₂·x(solvent)]_n} method using a statistical design of experiments model has provided fundamental insights into the influence of experimental variables. This approach focuses on a single analyte tested via 60 experiments (20 unique conditions) to identify the main effects for success and overall guest structure quality. This is employed as a basis for the development of a novel molecular structure grading system that enables the quantification of guest exchange quality.

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来源期刊

IUCrJ CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.50

自引率

5.10%

发文量

审稿时长

10 weeks

期刊介绍： IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr). The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.