2026-10-10T07:20:44Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33721325 2026-09-14T08:05:45Z category_1 category_915 category_7 category_8 category_14 category_21 category_272 category_873 category_39 category_734 category_133 portal_63 item_type_3 month_year_09_2026

Raman-Based Internal Standardization for Quantitative LA-ICP-MS Analysis of Individual Fluid Inclusions Qin-Di Wei (24869768) Zheng-Jie Qiu (762109) Liang-Liang Huang (4849678) Qi Li (67548) Yong-Sheng Yao (3357317) Xue-Yin Yuan (24869771) Ting-Guang Lan (24869774) Hong-Rui Fan (762107) Biophysics Physical Sciences not elsewhere classified Medicine Microbiology Molecular Biology Biotechnology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified Ecology Biological Sciences not elsewhere classified Plant Biology strategy improves quantification markedly less sensitive individual fluid inclusions general analytical framework bearing fluid inclusions active dissolved species whereas conventional microthermometry single linear calibration nacl solutions (< 5 – 38 na concentrations inferred introduce considerable bias based internal standardization 68 × 10 integrated raman microspectroscopy oh )< sub quantitative multielement analysis derived b concentrations 2 </ sup 9 – 11 internal standardization − 11 – h specific calibration microthermometric nacl h – derived concentration conventional normalization >< sup results show multicomponent fluids molecular basis chloride solutes central challenge boric acid area ratio 20 wt A central challenge in quantitative laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) analysis of individual fluid inclusions is the lack of a directly measurable internal standard. Current approaches typically rely on Na concentrations inferred from microthermometric NaCl-equivalent salinity, yet in multicomponent fluids this approach can introduce considerable bias because the effects of non-chloride solutes on phase-transition (e.g., ice melting) temperatures remain poorly constrained. Here, we introduce an integrated Raman microspectroscopy and LA-ICP-MS workflow that overcomes this limitation by converting the Raman-derived concentration of boric acid (B(OH)₃) to an equivalent elemental B concentration for internal standardization. Our results show that the ν₁(BO₃)/ν₂(H–O–H) area ratio is markedly less sensitive to salinity than conventional normalization to the O–H stretching envelope. In quartz-hosted synthetic fluid inclusions, <i>A</i>_ν1(BO3)/<i>A</i>_{ν2(H–O–H)} follows a single linear calibration for 10 and 20 wt % NaCl solutions (<i>y</i> = (8.68 ×10^–5)<i>x</i>, <i>R</i>² = 0.9995), enabling direct determination of elemental B concentrations without salinity-specific calibration. Ab initio molecular dynamics Raman simulations support the molecular basis of this metric. Using Raman-derived B concentrations as the internal standard yields mean signed deviations of −11.9 to 6.4% and mean absolute relative deviations of 1.9–11.9% for Li, Na, Mg, K, Rb, Sr, and Cs, whereas conventional microthermometry-based Na standardization produces systematic positive deviations of 8.5–38.0%. This strategy improves quantification of B-bearing fluid inclusions and establishes a general analytical framework for quantitative multielement analysis of aqueous systems containing Raman-active dissolved species. 2026-09-14T00:00:00Z Dataset Dataset 10.1021/acs.analchem.6c03471.s002 https://figshare.com/articles/dataset/Raman-Based_Internal_Standardization_for_Quantitative_LA-ICP-MS_Analysis_of_Individual_Fluid_Inclusions/33721325 CC BY-NC 4.0