同步辐射小角散射技术在化妆品纳米结构表征中的应用与挑战

doi:10.3969/j.issn.2097-2806.2026.04.001

摘要/Abstract

摘要：

化妆品类别丰富，涵盖防晒、洗护及彩妆等多个品类。这些产品普遍属于组分复杂、相互作用精细的多相软物质体系，其内部通常包含分布在1~100 nm空间尺度的层状液晶、囊泡、胶束、微乳、纳米颗粒及其构成的动态组装网络，这些纳米结构对产品的稳定性、肤感、递送行为及功效表现具有决定性影响。小角X射线散射（SAXS）技术可以在不破坏产品，且接近真实配方与使用状态的条件下，实现对体系纳米结构的原位、系综平均结构表征（Ensemble-averaged），该技术已成为贯穿化妆品产品配方设计、工艺优化与放大、质量控制、一致性评价及结构-功效关联研究的重要结构表征手段。该综述回顾了近年来学术界与产业界在化妆品纳米结构SAXS表征方面的研究进展，梳理了SAXS技术在典型配方体系中的应用方向与代表性案例，进一步讨论了当前在复杂多组分体系解析、数据建模与结果可解释性方面遇到的机遇与挑战，同时思考了上海同步辐射光源（SSRF）生物小角X射线散射实验装置BL19U2赋能化妆品研究的可能性。最后结合人工智能（Artificial intelligence，AI）驱动的数据分析与多模态结构表征发展趋势，展望SAXS技术在化妆品配方理性设计与功效机制研究中的未来应用前景。

关键词: 小角X射线散射, 化妆品, 纳米结构表征, 人工智能赋能

Abstract:

Cosmetic products encompass a broad range of categories, including sunscreens, personal care products, and color cosmetics. These products are typically multiphase soft matter systems composed of multiple components with complicated interactions. Their interior commonly contains entities with spatial scale from 1 to 100 nm, including lamellar liquid crystals, vesicles, micelles, microemulsions, nanoparticles, and weakly interacting networks formed by these entities. Such nanostructures play a decisive role in stability, sensory properties, delivery behavior, and overall efficacy of cosmetic products. Small-angle X-ray scattering （SAXS） enables in-situ and ensemble-averaged structural characterization of nanoscale structures under non-destructive conditions in real formulations and actual application states. Therefore, SAXS has now become an essential structural characterization tool throughout cosmetic formulation design, process optimization and scale-up, quality control, consistency evaluation, and structure-function relationship research. In this review, both recent academic and industrial progresses of SAXS for characterizing cosmetic nanostructures were summarized. Representative applications and case studies of SAXS in typical cosmetic systems were systematically discussed. Furthermore, current opportunities and challenges in the aspects of data interpretation in complex multi-component systems, including modeling strategies and result interpretability, were critically analyzed. The potential of BioSAXS beamline BL19U2 at the Shanghai Synchrotron Radiation Facility （SSRF） to empower cosmetic research was also discussed. Finally, considering the emerging trends in artificial intelligence-driven data analysis and multimodal structural characterization, the prospects for SAXS applications in the rational design of cosmetic formulations and the mechanism studies of efficacy were discussed.

Key words: small-angle X-ray scattering, cosmetics, nanostructure characterization, artificial intelligence empowerment

中图分类号:

TQ658

虞杰, 邹爱华, 李娜. 同步辐射小角散射技术在化妆品纳米结构表征中的应用与挑战[J]. 日用化学工业（中英文）, 2026, 56(4): 407-424.

Jie Yu, Aihua Zou, Na Li. Applications and challenges of synchrotron small-angle scattering in nanostructure characterization of cosmetics[J]. China Surfactant Detergent & Cosmetics, 2026, 56(4): 407-424.

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结构名称	散射峰位置比值
层状结构（LAM）	1: 2: 3: 4: 5: 6: 7
六方密堆积柱状结构（HCPC）	$1: \sqrt{3}: 2: \sqrt{7}: 3: \sqrt{12}: \sqrt{13}: 4$
简单立方结构（PC）	$1: \sqrt{2}: \sqrt{3}: 2: \sqrt{5}: \sqrt{6}: \sqrt{8}: 3$
体心立方结构（BCC）	$1: \sqrt{2}: \sqrt{3}: 2: \sqrt{5}: \sqrt{6}: \sqrt{7}: \sqrt{8}: 3$
面心立方结构（FCC）	$\sqrt{3}: 2: \sqrt{8}: \sqrt{11}: \sqrt{12}: 4: \sqrt{19}$
六方密堆积球状结构（HCPS）	$\sqrt{32}: 6: \sqrt{41}: \sqrt{68}: \sqrt{96}: \sqrt{113}$
双金刚石结构（DD）	$\sqrt{2}: \sqrt{3}: 2: \sqrt{6}: \sqrt{8}: 3: \sqrt{10}: \sqrt{11}$
空间群立方形貌（$\mathrm{Ia} \overline{3} \mathrm{~d}$）	$\sqrt{3}: 2: \sqrt{7}: \sqrt{8}: \sqrt{10}: \sqrt{11}: \sqrt{12}$
空间群立方形貌（$\operatorname{Pm} \overline{3} \mathrm{n}$）	$\sqrt{2}: 2: \sqrt{5}: \sqrt{6}: \sqrt{8}: \sqrt{10}: \sqrt{12}$