高级聚合物表征：迭代压缩（MOSAIC）光谱对准的模块化操作。

IF 5.1 Q1 POLYMER SCIENCE

ACS Macro Letters Pub Date : 2025-07-18 DOI:10.1021/acsmacrolett.5c00385

Hanlin M Wang,Benjamin A Suslick,David J Lundberg,Jacob J Lessard,Zhenchuang Xu,Mary A Choy,Jeremiah A Johnson,Jeffrey S Moore

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引用次数: 0

摘要

矩阵辅助激光解吸/电离（MALDI）质谱法编码不同的同质和共聚系的结构信息，但解密这些光谱需要系统的分析方法。我们介绍了通过迭代压缩（MOSAIC）进行光谱对准的模块化操作──一种通用的密码算法，它应用模块化算法来过滤单体衍生的质量贡献，并通过非构成重复单元（non- cru）聚类MALDI峰。MOSAIC使用单体质量差作为基本单位进行顺序模块化操作，压缩复杂的光谱数据，揭示端基分布和单体结合。作为示范，我们将MOSAIC应用于由两种不同聚合机制形成的五种共聚物。所得的剩余质量图清楚地将具有不同非cru的聚合物同源物分解成视觉上明显的簇，从而能够直观地分配质谱特征。

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Advanced Polymer Characterization: Modular Operations for Spectral Alignment by Iterative Compression (MOSAIC).

Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry encodes structural information across diverse homo- and copolymer ensembles, yet decrypting these spectra requires a systematic analytical approach. We introduce Modular Operations for Spectral Alignment by Iterative Compression (MOSAIC)─a general cipher algorithm that applies modular arithmetic to filter monomer-derived mass contributions and cluster MALDI peaks by nonconstitutional repeating units (non-CRUs). MOSAIC performs sequential modular operations using monomer mass differences as base units to compress complex spectral data, revealing end-group distributions and comonomer incorporation. As a demonstration, we applied MOSAIC to five copolymers formed by two different polymerization mechanisms. The resulting remainder-mass plots clearly resolve polymer homologs with distinct non-CRUs into visually apparent clusters, enabling intuitive assignment of mass spectral features.

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来源期刊

ACS Macro Letters 化学-

CiteScore

10.40

自引率

3.40%

发文量

209

审稿时长

1 months

期刊介绍： ACS Macro Letters publishes research in all areas of contemporary soft matter science in which macromolecules play a key role, including nanotechnology, self-assembly, supramolecular chemistry, biomaterials, energy generation and storage, and renewable/sustainable materials. Submissions to ACS Macro Letters should justify clearly the rapid disclosure of the key elements of the study. The scope of the journal includes high-impact research of broad interest in all areas of polymer science and engineering, including cross-disciplinary research that interfaces with polymer science. With the launch of ACS Macro Letters, all Communications that were formerly published in Macromolecules and Biomacromolecules will be published as Letters in ACS Macro Letters.