This study explored the chemical composition and antioxidant capacity of stingless bee honey (SBH) produced by Melipona species in Espírito Santo, Brazil. Using FT-MIR and NMR spectroscopy combined with chemometrics, clear separation between M. capixaba and M. quadrifasciata was observed.Volatile compounds identified by GC–MS included carboxylic acids, ketones, aldehydes, and alcohols, with simple phenols such as p-cresol and allyl guaiacol also detected. Phenolic and flavonoid contents correlated selectively with antioxidant capacity, especially between total phenolics and CRAC. These findings highlight chemometrics combined with phenolic profiling as a robust approach for quality control and standardization of SBH.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01134">Influence of Chemical Profile on the Antioxidant Capacity of Brazilian Stingless Bee Honey</a></h4>Lucas R. de O. Dias, Bruna M. Damm, Bruno F. Paqueli, Bruno Q. Araújo, Gislane C. Oliveira, Diolina M. Silva, Eustaquio V. R. de Castro, Rafael de Q. Ferreira*, and Álvaro C. NetoACS Omega 2025, 10, 20, 20550–20561<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c01134">https://doi.org/10.1021/acsomega.5c01134</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Stingless bees (Meliponini), also known as native bees, are found in tropical and subtropical regions representing more than 500 bee species worldwide. <a href="javascript:void(0);">(1)</a> Although international legislation governs the quality and identity parameters of Apis melliferahoney, there is a need to establish specific standards and regulatory guidelines for stingless bee honey (SBH). <a href="javascript:void(0);">(2)</a> Currently, SBH quality is assessed based on its physicochemical, sensory, and microbiological properties. <a href="javascript:void(0);">(3)</a>In general, honey is a complex mixture of sugars (primarily glucose and fructose), and its chemical composition can vary considerably depending on climatic conditions, stages of maturation, bee species, and flower type as well as processing and storage methods. <a href="javascript:void(0);">(4)</a>SBH is recognized for its characteristic sweetness combined with an acidic taste, a more fluid texture, and slow crystallization. In addition to sugars, enzymes, amino acids, organic acids, minerals, volatile organic compounds, pigments, and pollen grains, SBH contains phenolic compounds that can impact the antioxidant capacity. <a href="javascript:void(0);">(3)</a> Due to the antioxidant, nutritional, and biological properties of SBH, it has attracted economic interest in the past few years. <a href="javascript:void(0);">(5,6)</a>Phenolic compounds are widely distributed in plants from bee pastures. <a href="javascript:void(0);">(7)</a> Several phenolic acids and flavonoids, such as gallic acid, vanillic acid, protocatechuic acid, cinnamic acid derivatives, quercetin, and rutin have been identified in SBH. These molecules contribute to honey’s flavor, aroma, and antioxidant capacity. <a href="javascript:void(0);">(8)</a>Furthermore, several stingless bee species are capable of producing phenolic compounds-rich honey. Therefore, the chemical characterization of this natural product is essential to know its compositional and functional profiles. <a href="javascript:void(0);">(9)</a>In 2020, Kozłowicz and collaborators characterized honey derived from chestnut flowers and honey with dark orange berries, both produced by stingless bees, identifying phenolic compounds using gas chromatography–mass spectrometry (GC–MS) and Fourier transform mid-infrared (FT-MIR) spectroscopy. Several chemical compounds were identified, including 3-phenylpropionic acid and ferulic acid in both samples, while m-coumaric acid, benzoic acid, and cinnamic acid were predominantly found in only one honey sample. <a href="javascript:void(0);">(10)</a>The presence of phenolic compounds in honey contributes to its antioxidant responses. In general, the antioxidant capacity can be determined by using spectrophotometric methods such as ferric reducing antioxidant power (FRAP) and DPPH (2,2-diphenyl-1-picrylhydrazyl). <a href="javascript:void(0);">(11,12)</a> Some works have determined the total phenolic and flavonoid contents and verified their correlations. While spectrometric methods are widely employed for the quantification of phenolic compounds and the evaluation of antioxidant capacity, the accuracy of these assessments can be compromised by matrix effects and interfering substances, resulting in weak correlations between measured properties. <a href="javascript:void(0);">(13)</a>Consequently, alternative approaches are necessary to verify the correlation among these physicochemical characteristics. Ceric reducing antioxidant capacity (CRAC) electrochemical assay offers several advantages over spectrophotometric techniques. These include the ability to specifically target the redox state of antioxidants, low cost, potential for miniaturization, rapid analysis when compared to reference methods, insensitivity to light, and the absence of interference from sample coloration. <a href="javascript:void(0);">(14)</a>The objective of the present study is to conduct detailed chemical characterization combined with an evaluation of antioxidant capacity to ensure authenticity and quality control of honey. This knowledge is crucial to addressing existing gaps, encouraging proper regulation, and promoting sustainability in the production of SBH. Consequently, it enables broader acceptance and distribution of this product, benefiting consumers, producers, and biodiversity.<h4>2. Materials and Methods</h4><h5>2.3. Fourier Transform Mid-infrared (FT-MIR) Analyses</h5>For physicochemical characterization using FT-MIR, a drop of SBH was directly applied in the attenuated total reflectance (ATR) module (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630">Cary 630</a>, Agilent Technologies Inc., USA). FT-MIR spectra were acquired from 4000 to 650 cm–1 with 32 scans and a resolution of 4 cm. ATR module was cleaned with analytical-grade isopropyl alcohol for each sample. <a href="javascript:void(0);">(16)</a><h5>2.4. Nuclear Magnetic Resonance (NMR) Analyses</h5>SBH samples (20.0 mg) were dissolved in D2O. 1H NMR spectra were obtained on a 400 MHz spectrometer (VNMRS 400 model, Varian, USA) operating at a magnetic field of 9.4 T, using a probe of 5 mm 1H/X/D Broadband. All spectra were processed using MestReNova software. <a href="javascript:void(0);">(17)</a><h5>2.5. Identification of Volatile Organic Compounds by Static Headspace Sampling and Gas Chromatography–Mass Spectrometry (SHS-GC-MS)</h5>The volatile fraction of SBH was analyzed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-MS+QP2010">GC-MS QP2010</a> Ultra system (Shimadzu Corporation, Japan) equipped with a static headspace sampler (SHS) and an OV-WAX capillary column (30 m length, 0.25 mm internal diameter, and 0.25 μm film thickness). A 20 mL headspace vial containing 2 g of the sample was incubated in an SHS oven at 95 °C for 15 min. Subsequently, 1 mL of the volatile fraction was collected using a 2.5 mL syringe (Hamilton, USA) and injected in splitless mode (0.45 min) at an injector temperature of 240 °C. The oven temperature program had an initial temperature of 40 °C for 2 min, ramp of 4 °C min–1 to 120 °C, and a heating rate of 11 °C min–1 to 230 °C, where it was held for 8 min. Helium (99.999%, White Martins, Brazil) was used as the carrier gas at a flow rate of 1.5 mL min–1. The mass spectrometer operated in scan mode over a mass range of 35–300 Da, with an ion source temperature of 230 °C, an interface temperature of 220 °C, and a solvent cutoff time of 2.5 min. Chromatographic data were processed using LabSolutions GC–MS Solutions software, version 4.20 (Shimadzu Corporation, Japan). Volatile compound identification was performed by comparing the experimental mass spectra with those in the NIST11 and WILEY7 libraries. Results were expressed as relative area (%) by the integration of peaks in the total ion chromatogram (TIC). <a href="javascript:void(0);">(18)</a> Retention index (RI) was calculated using the equation RI = 100 (n) + 100 (m – n) (tRi – tRn)/(tRm – tRn), where m and n are the numbers of carbons of the n-alkanes that elute before and after “i”, respectively, and “i” is a VOC, based on retention time (tR) of a mixture of nC7 to nC40 alkanes (Supelco Analytical).<h4>3. Results and Discussion</h4><h5>3.1. Spectroscopy Characterization</h5><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01134#fig1">Figure 1</a> shows the FT-MIR and NMR spectra for the physicochemical characterization of the Melipona capixaba and Melipona quadrifasciata SBH samples. The FT-MIR spectra exhibited absorption frequency from 3500 to 3100 cm–1, which was attributed to O–H stretching from carbohydrates. <a href="javascript:void(0);">(24)</a> The presence of carboxylic acid derivatives, including triacylglycerols and fatty acids, in these samples was attributed to infrared bands around 2935 and 1650 cm–1, which are characteristics of the C–H bond with hybridization sp3 and the C═O group. In addition, C–O band was observed in absorption frequency around 1020 cm–1. <a href="javascript:void(0);">(25,26)</a> As previously highlighted, the chemical groups detected by the FT-MIR spectroscopy data were related to carbohydrates and lipids. These structures were also detected on 1H NMR spectra analyses from the SBH samples. The signals at δ 1.0 and 1.2 ppm may be attributed to methyl hydrogens and methylene hydrogens from (−CH2−)n hydrocarbon chains of fatty acids and triacylglycerols. The signal at δ 2.1 ppm is characteristic of α-methylene hydrogen linked to carbonyl groups from carboxylic acid, such as acetic acid. In addition, two doublets at δH 4.5 (J = 7.8 Hz) and 5.1 (J = 3.9 Hz) ppm were attributed to β and α hydrogens (H1) in anomeric carbon from d-glucose, respectively. The signals from δH 3.0 to 4.0 ppm were attributed to H2, H3, H4, H5, and H6 from α- and β-d-glucose. <a href="javascript:void(0);">(27)</a> Although carbohydrates and lipids, including carboxylic acids, were major compounds found in SBH samples, minor differences were observed in the NMR fingerprinting of M. capixaba and M. quadrifasciata honey.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_20_20550_20561_Figure_1_a_FT_MIR_and_b_NMR_spectra_of_stingless_bee_honey_samples_v_infrared_absorption_frequencies_stretching_or_bending_e8eab423fb.jpg" alt="ACS Omega 2025, 10, 20, 20550–20561: Figure 1. (a) FT-MIR and (b) NMR spectra of stingless bee honey samples. v─infrared absorption frequencies (stretching or bending)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_20_20550_20561_Figure_1_a_FT_MIR_and_b_NMR_spectra_of_stingless_bee_honey_samples_v_infrared_absorption_frequencies_stretching_or_bending_e8eab423fb.jpg 245w," sizes="100vw" width="1789" height="723"><h5>3.2. Volatile Organic Compounds (VOCs)</h5><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01134#fig3">Figure 3</a> shows GC–MS TIC, highlighting the most abundant volatile compounds in the SBH samples from M. capixaba and M. quadrifasciata.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_20_20550_20561_Figure_3_GC_MS_TIC_for_selected_M_quadrifasciata_and_M_capixaba_stingless_bee_honey_ae7301dfe9.jpg" alt="ACS Omega 2025, 10, 20, 20550–20561: Figure 3. GC–MS TIC for selected M. quadrifasciata and M. capixaba stingless bee honey. TPC was expressed in mg GAE 100 g–1 of SBH. (21) 2-Hydroxypropanoic acid ethyl ester. (30) Acetic acid. (44) Hotrienol. (110) 3,5-Dimethoxybenzaldehyde." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_20_20550_20561_Figure_3_GC_MS_TIC_for_selected_M_quadrifasciata_and_M_capixaba_stingless_bee_honey_ae7301dfe9.jpg 179w," sizes="100vw" width="2906" height="2536">The GC–MS analyses allowed the identification of VOCs (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c01134/suppl_file/ao5c01134_si_001.pdf">Supporting Information</a>, Table S1), which were distributed in eight chemical classes: alcohols, aldehydes, carboxylic acids, esters, ethers, phenols, hydrocarbons, and ketones. As observed, carboxylic acids were the most abundant class in all SBH, with values of 74.34 ± 13.03 and 70.95 ± 5.14% for M. capixaba and M. quadrifasciata, respectively, while phenols and hydrocarbons were minor compounds found in these samples (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c01134#fig4">Figure 4</a>).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_20_20550_20561_Figure_4_Box_plot_for_chemical_classes_of_M_quadrifasciata_red_bar_and_M_capixaba_blue_bar_stingless_bee_honey_2de866d99b.jpg" alt="ACS Omega 2025, 10, 20, 20550–20561: Figure 4. Box plot for chemical classes of M. quadrifasciata (red bar) and M. capixaba (blue bar) stingless bee honey." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_20_20550_20561_Figure_4_Box_plot_for_chemical_classes_of_M_quadrifasciata_red_bar_and_M_capixaba_blue_bar_stingless_bee_honey_2de866d99b.jpg 109w," sizes="100vw" width="1282" height="1847"><h4>4. Conclusion</h4>This study conducted a detailed chemical characterization and a comprehensive evaluation of the antioxidant capacity of honey produced by stingless bees of theMelipona genus, collected in the state of Espírito Santo, Brazil. The results revealed a composition rich in carbohydrates, lipids, phenolic compounds, and VOCs.M. capixaba species exhibit the highest antioxidant capacity. The use of advanced techniques such as FT-MIR, NMR, and GC-MS, combined with spectrophotometric methods FRAP and DPPH, as well as the electrochemical CRAC assay, enabled a robust evaluation of the physicochemical and bioactive properties of SBH.The data obtained, along with the application of chemometric tools, allowed for clear differentiation of the SBH samples based on their chemical profiles and antioxidant properties. These findings highlight the nutritional and functional value of SBH. Furthermore, this study contributes to the establishment of authenticity and quality standards, essential for regulatory purposes and for promoting the sustainability and global acceptance of SBH.

Influence of Chemical Profile on the Antioxidant Capacity of Brazilian Stingless Bee Honey

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 22nd September 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu and poster by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Protein Glycosylation Analysis Using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR">Agilent Cary 630 FTIR</a> Spectrometer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ftir_glycosylation_cary_630_5994_8540en_agilent_614efd9fb4.pdf">Full PDF for download</a></li></ul>Protein glycosylation is a crucial post-translational modification (PTM) impacting the efficacy, stability, and integrity of therapeutic proteins, including monoclonal antibodies (mAbs) and other biopharmaceuticals. This process involves attaching sugar molecules, or glycans, to specific amino acid residues on proteins. Glycosylation is classified as a critical quality attribute (CQA) and has important functions in biological processes, impacting protein structure, solubility, and ability to resist proteolytic degradation.1 Therefore, monitoring and controlling glycosylation is essential in developing and producing therapeutic proteins.Various analytical techniques are employed to monitor glycosylation in biopharmaceutical production. These techniques include FTIR spectroscopy, mass spectrometry, high-performance liquid chromatography, capillary electrophoresis, nuclear magnetic resonance spectroscopy, and lectin arrays. However, most of these techniques require time-consuming complex sample preparation steps. Alternatively, FTIR is a robust analytical technique that provides a fast and easy tool for protein research. It is a nondestructive technique used to study protein molecules under different experimental conditions. The building blocks of glycans (monosaccharide/sugars), amide groups of protein, and water molecules produce distinguishable fingerprint absorption bands in FTIR. It has also been used to monitor the carbohydrate content and glycosylation profiles in&nbsp;glycoproteins.2,3&nbsp;In this study, we used an Agilent Cary 630 FTIR spectrometer to demonstrate an FTIR spectroscopy method for protein glycosylation analysis. The results show that FTIR spectra of glycoproteins provide an FTIR signal corresponding to the glycosylation profile, allowing a rapid, nondestructive analysis method with minimal sample preparation.<h4>Experimental&nbsp;</h4><h5>Instrumentation&nbsp;</h5>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR">Cary 630 FTIR spectrometer </a>was fitted with a single reflection diamond attenuated total reflection (ATR) module. Data acquisition was carried out with an Agilent MicroLab software using the parameters shown in Table 1.<h4>Results and discussion&nbsp;</h4>Proteins exhibit characteristic amide absorption bands in FTIR spectroscopy, which are related to secondary structure and confirmation. The amide I band (1,600 to 1,800 cm–1) and amide II band (1,470 to 1,570 cm–1) result from the absorption of the carbonyl and N-H group.&nbsp;Glycosylation is one of the common PTMs that occur in biopharmaceuticals. Carbohydrates linked to glycoproteins have an absorption band distinct from the protein amide region. The infrared (IR) absorption of glycan spans broadly in the 1,200 to 950 cm–1 region where proteins have very low signal intensity. It has been demonstrated that the amount of carbohydrates in the glycoprotein correlates with the intensity of these spectral bands.3&nbsp;In this study, various glycosylated proteins with different levels of glycosylation were selected to evaluate the FTIR method. The formulated mAbs contain excipients that can exhibit absorption bands, and these signals may interfere with glycan analysis in the 1,200 to 950 cm–1 region. Therefore, mAb samples were buffer-exchanged with water using spin columns. Figure 3 shows the comparison of FTIR spectra of formulated and buffer-exchanged mAbs. The desalting step is necessary to eliminate buffer interference with the glycosylation measurement.<h4>Conclusion&nbsp;</h4>This application note demonstrates the simplicity and usability of glycosylation analysis using an Agilent Cary 630 FTIR spectrometer. The FTIR method provides a spectral variation related to the global glycosylation level of protein, removing the necessity for extensive sample preparation or labeling. It provides a signal corresponding to the glycan profile that allows the identification of glycoproteins and enables rapid comparative glycosylation analysis between innovator and biosimilar therapeutic proteins. The user‑friendly Agilent MicroLab Expert software streamlines data processing and shortens time to results. The technique may be used to verify batch consistency and product quality during the protein production process. Its capability for quick glycosylation estimation makes it an excellent fit for protein quality control workflows. In summary, the FTIR approach provides numerous advantages, including minimal sample preparation, reduced analysis time, and the capacity to analyze intact glycoproteins<h3>2. Shimadzu: Peel Test for Cathode Materials of Lithium-Ion Batteries in a Thermostatic Chamber</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00944_en_88bbab3581.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>A thermostatic chamber makes it possible to measure the adhesion force of cathode materials in actual temperature environments.&nbsp;</li><li>A copper foil peeling test device enables to conduct peel tests while maintaining a 90° angle in a thermostatic chamber.&nbsp;</li><li>By using a load cell with a wider accuracy guarantee range than a conventional one, it is possible to conduct high-accuracy tests even with small test forces.</li></ul>Lithium-ion batteries play an important role in various electronic devices due to their high energy density and excellent charging efficiency. To improve battery performance, materials and processing methods are actively being developed, and strength measurement is one of the essential evaluation methods. This Application News focuses on the adhesion strength of the electrode sheets used as battery electrodes. Fig. 1 shows the structure of an electrode sheet. An electrode sheet consists of an electrode material that adheres to a current collector, through which electrons move. The electrode material is composed of a cathode active material such as lithium iron phosphate and an insulating material known as a binder. When the adhesion between the electrode material and the current collector is weak, the electrode material may delaminate from the current collector, preventing electrons from moving in the electrode sheet and increasing the electrical resistance. Therefore, evaluating the adhesion strength is important for improving battery performance. In this application, test equipment, test conditions, and results of the peel test for battery cathode materials are described. The temperature dependence of the adhesion strength of the electrode materialsis also described.<ul><li>Testing Machine: <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=AGS-V">Precision Universal Testing Machine AGS-V</a></li></ul><h4>Conclusion&nbsp;</h4>Peel tests in a thermostatic chamber were conducted using an AGS-V and TCE-N300A for Lithium iron phosphate used as cathode sheet of lithium-ion batteries. From the test results, it was confirmed that the adhesion force between the cathode active material and the aluminum foil increased as the temperature increased. This measurement can easily evaluate the temperature dependence of mechanical characteristics of battery cathodes. This method is expected to be applied to solve problems for improving battery performance.<h3>3. Thermo Fisher Scientific: Assessing the level and distribution of trace elements in individual cells using single cell ICP-MS analysis</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_001851_tea_cells_icp_ms_ewcps_po001851_em_en_826dff968d.pdf">Full PDF for download</a></li></ul>Trace elements play a key role in many processes involved in living beings. Some elements are found as constituent elements in biopolymers, such as phosphorous as part of the DNA backbone, or sulfur, as part of the key amino acids methionine and cysteine involved in the formation of proteins covering a wide variety of functions. Other elements (in particular, the transition elements copper, iron, and zinc) are involved in specific functions, such as acting as co-factors in enzymes. However, the distribution of trace elements cannot be assumed to be homogeneous across a cell cohort, even under ideal conditions. Ultimately, cell-tocell variability of the metal content may be an important factor in understanding biological diversity. The analysis of specific biomarkers at the single cell level has therefore gained significant interest in recent years.&nbsp;The analysis of the content of a given metal at the single cell level has remained a challenge. While inductively coupled plasma mass spectrometry (ICP-MS) is well known as a powerful and element-selective detection system, it is only recently that its capacity for analyzing individual cells has been recognized.<h4>Methods</h4>A <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206">triple quadrupole ICP-MS system</a>, in conjunction with the scQuant plug-in for <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution software</a> was used for all measurements.<h4>Conclusions&nbsp;</h4>This poster highlights how ICP-MS operated in the single cell mode can determine the amount of different trace elements in individual cells and can therefore allow not only assessment of the average element mass per cell, but also the element distribution across the cohort.&nbsp;<ul><li>Scanning for multiple elements is possible using a sequential approach, in which all the elements of interest are measured for an identical period in a single aspiration of a sample, and the results are summarized in a single data set.&nbsp;</li><li>The scQuant plug-in allows integrated control over sample delivery devices, in this case, a syringe pump, to facilitate a stable sample flow at the required low flow rates.&nbsp;</li><li>Key method parameters, such as detection sensitivity and transport efficiency can be determined as part of the same Qtegra ISDS Software LabBook or can be independently determined (if no suitable standards are available) and applied to a data set.&nbsp;</li><li>The data visualization features of the scQuant plug-in allow raw data and intermediate data (signal distribution) to be comprehensively evaluated, as well as enabling representation of results in either a histogram or a box plot. All results can be exported in a spreadsheet compatible format if required.</li></ul>

News from LabRulezICPMS Library - Week 39, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 29th September 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application note by Agilent Technologies and posters by &nbsp;Shimadzu / AOAC and Thermo Fisher Scientific!<h3>1. Agilent Technologies: Accurate Identification of Binder Raw Materials for Li-Ion Battery Electrodes by FTIR</h3>Rapid quality control of incoming materials using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR">Agilent Cary 630 FTIR&nbsp;</a><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_battery_electrode_binder_cary_630_ftir_5994_8465en_agilent_4edc49f78f.pdf">Full PDF for download</a></li></ul>Lithium-ion battery (LIB) production relies on a wide variety of specialized materials sourced from numerous suppliers. In high-throughput LIB manufacturing facilities, even minor inconsistencies in raw materials can lead to significant downstream effects on cell performance. Binders are a good example: although used in small quantities to adhere active materials to metal current collectors, they are critical to electrode functionality. Binders directly influence electrode mechanical strength, uniformity, and long-term cell performance. As a result, production engineers and quality control (QC) managers consider binder verification as a key part of quality assurance (QA) workflows.&nbsp;Traditional binders such as polyvinylidene fluoride (PVDF) are effective but introduce environmental and solvent-handling concerns. Alternatives such as polytetrafluoroethylene (PTFE), styrene-butadiene rubber (SBR), and carboxymethyl cellulose (CMC) are increasingly being adopted within the industry to align with evolving sustainability standards. However, these changes also introduce new risks for LIB manufacturers — particularly when material specifications vary or supply sources change. To maintain production consistency and reduce the risk of batch failure or rework, fast and accurate material identification and verification tools are needed. FTIR spectroscopy offers a simple yet powerful solution for the QA/QC of various LIB raw materials. Given the organic and polymeric nature of binders, FTIR spectroscopy offers a rapid and reliable means of identifying them, as discussed in the "Characterization of PVDF polymorphic phases" section of this application note.&nbsp;This study outlines how the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR">Agilent Cary 630 FTIR spectrometer</a> (Figure 1) with its compact footprint can be used at the point of material receipt to verify binder identity. User-friendly Agilent MicroLab software ensures successful operation following minimal operator training. Analyses carried out using the Cary 630 FTIR support fast decision‑making, help avoid production disruptions, and improve end-product reliability.<h4>Results and discussion&nbsp;</h4>The binder samples were analyzed by placing a small quantity of solid material directly onto the ATR crystal of the Cary 630 FTIR spectrometer. Gentle pressure was applied to ensure good contact. After the measurement was completed, the ATR crystal was cleaned with a light solvent and wipe in preparation for the next sample.&nbsp;The MicroLab software uses a built-in Similarity algorithm that automatically calculates a Hit Quality Index (HQI). The HQI value indicates how closely the acquired sample spectrum matches a reference spectrum from the user‑generated library. HQI values are commonly used as pass/fail criteria in material identification and confirmation&nbsp;workflows.&nbsp;Using the Similarity algorithm, all four unknown samples (samples 1 to 4) were correctly identified according to the binder type stated on the respective container labels. However, variations in HQI values were observed among the PVDF samples (1 to 3). As shown in Table 2, PVDF-210 and PVDF-5130 exhibited HQI values of 0.96271 and 0.96713, respectively, indicating strong spectral matches. PVDF-6020 showed a slightly lower HQI of 0.90741, which may reflect differences in polymer grade or formulation compared to the reference sample. PTFE-104 (Sample 4) was also correctly identified, with a high HQI of 0.98345, suggesting good spectral agreement and a high-confidence match.<h4>Conclusion&nbsp;</h4>An Agilent Cary 630 FTIR spectrometer with Agilent MicroLab software provided a simple solution for identifying electrode binder materials—a typical application in lithium-ion battery quality control (QC) workflows.&nbsp;The MicroLab software enabled the rapid creation of a spectral reference library for binder materials based on the analysis of two known "reference" samples. Four "unknown" binders from a different supplier were then correctly identified using the FTIR method. However, one sample yielded a low, red color-coded confidence score, suggesting possible differences in polymer grade or formulation between the reference and unknown samples.&nbsp;The Cary 630 FTIR enables production and QC teams to:&nbsp;<ul><li>Adapt quickly to new materials or suppliers through easy management of the spectral library&nbsp;</li><li>Verify the identity of incoming raw materials using intuitive pictorial guidance and color-coded pass/fail results&nbsp;</li><li>Detect any mislabeling or contamination of materials&nbsp;</li><li>Monitor batch-to-batch variability that could affect electrode performance and battery manufacturing yields&nbsp;</li></ul>With its compact, modular design, the Cary 630 FTIR can be deployed in production environments, including gloveboxes. Its ease-of-use makes it a valuable tool for ensuring material consistency, minimizing process disruptions, and maintaining high standards in lithium-ion battery manufacturing.<h3>2. Shimadzu / AOAC: Speciation Analysis of Mercury in Seafood by LC-ICP-MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_m028_b60b5ecaa6.pdf">Full PDF for download</a></li></ul>Mercury contamination in seafood poses significant health risks to consumers. Mercury screening using ICPMS alone can provide a total concentration, however some species of mercury are more toxic to humans than others, and a total concentration may not provide adequate information and result in incomplete risk assessments. Generally, methyl mercury is more toxic than inorganic mercury and other organic mercury. Evaluating the toxicity in food requires not only analysis as total mercury but also by the form of mercury. To address this, we propose the use of Liquid Chromatography coupled with Inductively Coupled Plasma Mass Spectrometry (LCICP-MS) for detailed speciation analysis of mercury by connecting an <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ICPMS-2040%2F2050">ICPMS-2040/2050 </a>with <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+XS+inert">Nexera XS inert.</a> Furthermore, we also evaluated the automatic dilution function of the Nexera series autosampler for the speciation analysis of mercury.<h4>Results&nbsp;</h4>Samples were analyzed with the LC-ICP-MS system, which consisted of the ICPMS-2040/2050 connected to a Nexera XS inert (Fig. 1). LabSolutions ICPMS TRM software can control the ICPMS2040/2050 system and Shimadzu LC units, enabling everything from sample injection to chromatogram analysis to be performed via a single software program. The analytical conditions used for analysis were those included in the LC-ICP-MS Method Package for Mercury Speciation Analysis. Table 1 shows the analytical conditions for HPLC, and Table 2 shows the analytical conditions for ICP-MS.<h4>Conclusion</h4>Speciation analysis of methyl mercury and total mercury in seafood was performed using an LC-ICP-MS system that connected an ICPMS-2040/2050 to a Nexera XS inert according to the conditions in the “LC-ICP-MS Method Package for Mercury Speciation Analysis.” Analysis of methyl mercury and total mercury in seafood showed good spike recoveries demonstrating system suitability.<h3>3. Thermo Fisher Scientific: High Sensitivity, Fast Scanning, Sector Field ICP-MS – Improving Sensitivity for Laser Ablation with the Jet Interface</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_65415_icp_ms_high_sensitivity_fast_scanning_ewcps2019_po65415_en_22e55fbf12.pdf">Full PDF for download</a></li></ul>In laser ablation ICP-MS analysis, the choice of which type of ICP-MS to use may not be entirely obvious. High precision isotope ratio analysis, such as epsilon level precision for geochronology, would need to be measured with a multicollector ICP-MS, such as the Thermo Scientific™ NEPTUNE XT™, but for the majority of applications the precision obtainable with a single collector ICP-MS is sufficient. In the area of single collector ICP-MS we are still left with the choice between a quadrupole-based ICP-MS, such as the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206">Thermo Scientific™ iCAP™ RQ/TQ</a>, and a magnet sector based ICP-MS, the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1670">Thermo Scientific™ Element XR™</a>.&nbsp;The reduced cost, size and complexity of the quadrupolebased ICP-MS make them a popular choice for LA-ICP-MS analysis. However, it has always been known that a magnet sector based ICP-MS enjoys a significant increase in sensitivity: detecting more ions for the same amount of atoms introduced. In laser ablation analysis the amount of sample to be analyzed is often strictly limited. Furthermore, to reduce laser-induced fractionation and to stay within discrete sample zones it is highly desirable to ablate as little sample material as possible. The trend towards higher resolution LA-ICP-MS bioimaging has also led to a reduction in the amount of sample ablated. These limitations in sample size make the sensitivity of the ICP-MS vital in order to achieve useable limits of quantification and detection (LOQ and LOD).The Jet Interface option for the Thermo Scientific Element XR HR-ICP-MS greatly increases the sensitivity of fast scanning, sector field ICP-MS, especially for dry plasma. It consists of a high capacity dry interface pump and a companion set of specially designed cones. Here we report the sensitivity (as sample ion yield) of the Element XR when equipped with the Jet Interface option. We then compare this sensitivity to two other ICP-MS for the LA-ICP-MS U-Pb analysis of two common zircon reference materials.&nbsp;<h4>MATERIALS AND METHODS&nbsp;</h4><h5>ICP-MS&nbsp;</h5>Three ICP-MS systems were used:&nbsp;<ul><li>NEPTUNE XT (multi collector ICP-MS, with Jet Interface)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1670">ELEMENT XR</a> (single collector Sector Field ICP-MS), equipped with Jet Interface option&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206">iCAP TQ</a> (single collector quadrupole based ICP-MS), equipped with high sensitivity cones and insert recommended for laser ablation analysis</li></ul><h4>CONCLUSIONS&nbsp;</h4>The Jet Interface for the Element XR SF-ICP-MS gives:&nbsp;<ul><li>Sample Ion Yield &gt;1% for Nd, Hf, Pb and U.&nbsp;</li><li>Over 20 times LA sensitivity compared to Q-ICP-MS</li></ul>

News from LabRulezICPMS Library - Week 40, 2025

Hybrid coatings of crystalline monetite (CaHPO₄) and kefir-derived Dextran were synthesized on Ti6Al4V substrates via a low-temperature (≤80 °C) sol–gel-assisted process, allowing biopolymer incorporation without degradation. XRD confirmed triclinic monetite nanocrystals (~152 nm), while FTIR and SEM/EDS analyses verified uniform Dextran integration, especially in 4 wt % films that produced compact, homogeneous surfaces.Electrochemical tests in artificial saliva showed a major increase in corrosion resistance, with open-circuit potential shifting from −0.272 V to −0.034 V and polarization resistance rising from 1987 Ω to 5573 Ω. The hybrid structure enhances defect sealing, barrier formation, and interfacial stability. These results demonstrate that monetite/Dextran coatings are a scalable, sustainable, and biocompatible solution for advanced implant protection.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440">Low-Temperature Synthesis of Monetite/Dextran Hybrid Coatings with Tailored Corrosion Resistance on Ti6Al4V</a></h4>Robert S. Matos*, Henrique D. da Fonseca Filho, Michael D. S. Monteiro, Nilson S. Ferreira*ACS Omega 2025, 10, 34, 39081–39086<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c05440">https://doi.org/10.1021/acsomega.5c05440</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Titanium alloys are widely used in biomedical implants due to their favorable mechanical properties and biocompatibility. <a href="javascript:void(0);">(1)</a> However, their long-term performance can be compromised by limited corrosion resistance in physiological environments. To overcome this challenge, surface coatings that combine protective and bioactive functions have gained increasing attention. Recent advances in surface functionalization have focused on enhancing the bioactivity, corrosion resistance, and osseointegration of titanium-based implants, particularly Ti6Al4V, which remains a gold standard in orthopedic and dental fields due to its excellent mechanical strength and biocompatibility. Despite these advantages, its native oxide layer offers limited bioactivity, often necessitating the development of surface coatings capable of promoting cellular interaction while protecting against degradation in physiological environments. <a href="javascript:void(0);">(1,2)</a> A wide range of strategies has been proposed to address this limitation, including plasma electrolytic oxidation (PEO), microarc oxidation (MAO), and sol–gel-assisted deposition methods. For instance, Nadaraia et al. <a href="javascript:void(0);">(3)</a> reported the formation of composite PEO–PDA coatings on three-dimensional (3D)-printed titanium, incorporating hydroxyapatite and polydopamine to improve corrosion resistance and biomimetic mineralization. Similarly, Coan et al. <a href="javascript:void(0);">(4)</a> developed MAO coatings doped with transition metal oxides (TiO2, MoO3, Fe2O3, and MnO2) and bioactive Ca/P species, achieving enhanced wear resistance, osteogenic potential, and antimicrobial selectivity.Herein, we present hybrid Monetite/Dextran coatings developed on Ti6Al4V substrates using a low-temperature sol–gel-assisted method. The coatings were thoroughly characterized, and corrosion testing confirmed their enhanced protective performance. The process, carried out at ≤80 °C, preserved the structural integrity of the Dextran component. The approach ensures molecular-level dispersion of kefir-derived Dextran without compromising its structural integrity, enabling uniform coverage and enhanced corrosion resistance. The proposed method complements existing techniques by offering a sustainable and biocompatible alternative, with potential applications in next-generation biomedical implants. This eco-friendly approach offers a versatile route to biobased, multifunctional coatings with potential for biomedical and surface protection applications.<h4>2. Materials and Methods</h4><h5>2.2. Characterization</h5>Thermogravimetric analysis (TGA) was performed using a Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=DTG-60H">DTG-60H</a> from room temperature to 400 °C at 10 °C/min under N2. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectra were acquired on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630">Cary 630</a> in the 650–4000 4 cm–1 range at 4 cm–1 resolution. X-ray diffraction (XRD) was conducted using a Shimadzu<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=+LabX+XRD-6000"> LabX XRD-6000</a> (Cu Kα, λ = 1.54056 Å, 40 kV, 40 mA, 2°/min, 2θ = 10–60°). Surface morphology and elemental composition were analyzed by scanning electron microscopy (SEM) (JEOL JSM-5700) with energy dispersive X-ray spectroscopy (EDS) at 10 kV. Corrosion resistance was evaluated in Fusayama artificial saliva using a Metrohm Autolab PGSTAT204 potentiostat. A three-electrode setup was used (SCE reference, Pt counter, coated disc working electrode). Open-circuit potentials were monitored for 50 min, followed by polarization from −1 V (vs OCP) to 2 V (vs SCE) at 0.1667 mV/s.<h4>3. Results and Discussion</h4>The thermal stability of kefir-derived Dextran was evaluated by thermogravimetric analysis (TGA) to determine appropriate postdeposition conditions for preserving the biopolymeric structure in the hybrid coating (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig1">Figure 1</a>a). The TG curve revealed a characteristic three-step degradation profile. The first stage exhibited an initial weight loss of approximately 26% between 25–150 °C (Tonset ≈ 95 °C), which is attributed to the desorption of physically adsorbed moisture and residual solvent from the hydrophilic polysaccharide matrix. This step reflects the inherent hygroscopicity of Dextran due to the abundance of hydroxyl groups capable of hydrogen bonding with water molecules. <a href="javascript:void(0);">(14)</a> A thermal plateau was observed between 150–200 °C, indicating a relatively stable intermediate region with minimal mass change. This plateau precedes the main decomposition event and is often associated with the onset of thermal rearrangements or limited cross-linking that do not result in significant volatilization. The most prominent degradation phase occurred between 200–400 °C (Tonset ≈ 286 °C), where a major weight loss of ∼74% was recorded. This region corresponds to the thermal decomposition of the polysaccharide chains, primarily involving the cleavage of glycosidic bonds and depolymerization of the Dextran backbone. The degradation pathway leads to the release of volatile compounds such as water vapor, carbon dioxide, carbon monoxide, and low molecular weight carbonaceous fragments. <a href="javascript:void(0);">(15)</a> The breakdown of the polymer structure in this range is consistent with the known thermal behavior of Dextran and similar microbial exopolysaccharides such as kefiran, <a href="javascript:void(0);">(14)</a> which exhibit a sharp decline in mass due to the scission of C–O–C linkages and subsequent volatilization of degradation products. Based on this thermal profile, a postdeposition heat treatment at 70 °C was selected to ensure efficient solvent evaporation while remaining well below the decomposition onset, thereby preserving the structural and functional integrity of the kefir-derived Dextran component in the final hybrid coating.The XRD pattern of the Monetite/Dextran composite containing 1 wt % Dextran (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig1">Figure 1</a>b) displays well-defined diffraction peaks characteristic of crystalline CaHPO4, confirming successful formation of the Monetite phase. CaHPO4 crystallizes in a triclinic unit cell with an anorthic structure (space group P1, ICSD#87196), and the observed reflections, indexed to the (001), (002), (210), (201), (022), (202), (003), (230), and (041) planes, are in good agreement with the reference pattern. The average crystallite size, estimated using the Scherrer equation, <a href="javascript:void(0);">(16)</a> is approximately 152 nm, indicative of a well-developed crystalline phase. For comparison, the XRD pattern of the bare Ti6Al4V substrate is included in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig1">Figure 1</a>b, showing characteristic diffraction peaks of both α–Ti (space group P63/mmc, ICSD#076265) and β–Ti (space group Im3̅m, ICSD#076165) phases. The absence of Monetite-specific reflections in the uncoated alloy unequivocally confirms that the crystalline CaHPO4 phase is formed exclusively as a result of the coating process. Additionally, a broad halo centered between 15–20° (2θ) suggests the presence of an amorphous component, likely associated with the semicrystalline nature of Dextran. This diffuse scattering does not overlap with the principal diffraction peaks, implying molecular-level dispersion or partial disorder of the polymer within the matrix. Collectively, the data support the formation of a hybrid structure comprising a crystalline Monetite phase embedded in an amorphous Dextran-rich environment.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_34_39081_39086_Figure_1_a_TG_DTG_curves_bcbfa1d8f9.jpg" alt="ACS Omega 2025, 10, 34, 39081–39086: Figure 1. (a) TG/DTG curves of the pure Dextran biopolymer. (b) XRD pattern of the Monetite coating loaded with 1% Dextran; the inset shows the crystal structure of Monetite. (c) FTIR spectra of pure Dextran and Monetite/Dextran composites." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_34_39081_39086_Figure_1_a_TG_DTG_curves_bcbfa1d8f9.jpg 166w," sizes="100vw" width="1750" height="1640">FTIR analysis further supported this hybrid nature (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig1">Figure 1</a>c). The spectrum of pure kefir-derived Dextran displayed typical polysaccharide bands: a broad O–H stretching vibration at 3420 cm–1, C–H stretching at 2929 cm–1, and H–O–H bending at 1673 cm–1. Additional bands at 1360 cm–1 (CH2/O–H bending), 1000–1200 cm–1 (C–O–C stretching), and 900–530 cm–1 (α-d-glycosidic linkages) confirm the carbohydrate backbone. <a href="javascript:void(0);">(17)</a> The weak band at 2359 cm–1 is attributed to the asymmetric stretching of trace atmospheric CO2 physically adsorbed onto the hydrophilic Dextran matrix during sample preparation or FTIR data acquisition, and is not related to any structural or decomposition-derived species. In the composites, new bands appeared at ∼962, 1030–1090, and a doublet at ∼602 and 563 cm–1, corresponding to of PO43– vibrations, validating the formation of Monetite. Notably, shifts and intensity changes in the fingerprint region with increasing Dextran content suggest specific molecular interactions, likely hydrogen bonding, between the phosphate groups and the polysaccharide chains, in agreement with the hybrid structure observed by XRD. These structural and chemical modifications were accompanied by clear morphological evolution, as observed in SEM images (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig2">Figure 2</a>a–c), which show a progressive surface transition from granular textures at low Dextran content (Mo#D1%) to smoother, more homogeneous coatings at higher concentrations (Mo#D4%). This transformation suggests polymer-induced matrix restructuring during hybrid formation. EDS spectra (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05440#fig2">Figure 2</a>d–e) further support this trend, revealing a marked reduction in calcium and phosphorus signals, complete masking of the Ti6Al4V substrate, and a concurrent increase in carbon and oxygen content, evidence of increasing organic phase incorporation. At 4 wt % Dextran, the coating appears fully continuous and chemically organic-rich, consistent with surface homogenization and phosphate signal suppression. These observations align with FTIR data, which showed enhanced C–O–C and O–H stretching vibrations and diminished phosphate bands, confirming polymer integration and partial suppression of the inorganic phase. Altogether, these results demonstrate that Dextran content serves as a key parameter for tailoring coating morphology, composition, and hybrid character.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_34_39081_39086_Figure_2_SEM_micrographs_ok_2f0378d10a.jpg" alt="ACS Omega 2025, 10, 34, 39081–39086: Figure 2. SEM micrographs of Monetite/Dextran composite coatings with increasing Dextran content: (a) Mo#D1%, (b) Mo#D2%, and (c) Mo#D4%. EDS spectra and elemental compositions are shown for (d) Mo#D1% and (e) Mo#D4%, based on mapping analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_34_39081_39086_Figure_2_SEM_micrographs_ok_2f0378d10a.jpg 245w," sizes="100vw" width="1750" height="1075"><h4>4. Conclusions</h4>In conclusion, we have developed a low-temperature, sol–gel-derived hybrid coating comprising crystalline Monetite and kefir-derived Dextran, applied to Ti6Al4V substrates. Structural and spectroscopic analyses confirmed a biphasic architecture, while morphological and electrochemical data demonstrated that increasing Dextran content improves surface uniformity and corrosion resistance. The Mo#D4% formulation achieved over 2-fold enhancement in polarization resistance under simulated physiological conditions. These results underscore the potential of biopolymer-assisted hybrid coatings as sustainable, cost-effective alternatives for the protection of titanium-based biomedical devices.

Low-Temperature Synthesis of Monetite/Dextran Hybrid Coatings with Tailored Corrosion Resistance on Ti6Al4V

This study investigates the antioxidant and anti-inflammatory effects of (−)-epicatechin in an in vitro model of metabolic dysfunction-associated steatotic liver disease (MASLD). Lipid peroxidation, inflammatory, and profibrotic markers were assessed alongside ATR-FTIR spectroscopy to evaluate whether spectral changes reflect disease progression and treatment response.Epicatechin reduced lipid peroxidation products, TNF-α, and TGF-β1 in a concentration-dependent manner, with stronger protective effects observed during pretreatment. ATR-FTIR spectral changes closely correlated with biochemical markers, demonstrating its potential as a rapid, non-destructive tool for monitoring oxidative stress, inflammation, and fibrosis in MASLD research.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c09978">ATR-FTIR Assessment of the Antioxidant and Anti-Inflammatory Effects of (−)-Epicatechin in MASLD</a></h4>Marija Hefer, Nikolina Filipović, Stjepan Šarić, Nela Malatesti, Ana Petrović, Elvira Kovač-Andrić*, and Martina Smolić*ACS Omega 2026, 11, 23, 33333–33344<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c09978">https://doi.org/10.1021/acsomega.5c09978</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.<div>Metabolic dysfunction-associated steatotic liver disease (MASLD) represents one of the most prevalent chronic liver disorders. Due to its predisposition to progress toward metabolic dysfunction-associated steatohepatitis (MASH), fibrosis, cirrhosis, and even hepatocellular carcinoma (HCC), MASLD has become a significant global health burden and a major challenge for healthcare systems. <a href="javascript:void(0);">(1−4)</a>The majority of patients with MASLD or MASH are obese and frequently present with additional metabolic comorbidities, most commonly insulin resistance, type 2 diabetes mellitus, and dyslipidemia. <a href="javascript:void(0);">(5−7)</a> Furthermore, most conditions associated with MASLD and MASH are characterized by lipid metabolism impairment, with elevated levels of oxidative stress. Impaired lipid metabolism, together with prolonged oxidative stress, promotes hepatocellular lipotoxicity and mitochondrial dysfunction. These alterations affect the antioxidant defense system and increase reactive oxygen species (ROS) generation, thereby contributing to the onset of MASLD and its progression to MASH, along with more advanced liver diseases. <a href="javascript:void(0);">(8,9)</a>One of the main results of oxidative stress is lipid peroxidation, in which ROS attack (poly)unsaturated fatty acids within membrane lipids. This initiates a series of structural and functional alterations, where the formation of conjugated dienes (CDs) reflects early double-bond rearrangements in fatty acyl chains, while lipid hydroperoxides (LOOHs) represent key propagation-phase products that destabilize cell membranes and increase oxidative injury. <a href="javascript:void(0);">(10,11)</a> Therefore, determining LOOH and CD levels, along with their overall LOOH/CD ratio, might be useful for determining the lipid peroxidation dynamics and the progression of MASLD.Along with oxidative damage to the cell structures, inflammation is also a key regulator of MASLD progression. In this context, tumor necrosis factor-α (TNF-α) is suspected to play a central role as its levels are found to increase alongside MASLD to MASH progression. <a href="javascript:void(0);">(12−14)</a> It has also been found that ROS and TNF-α are closely interconnected, where elevated TNF-α levels could serve as an indicator of oxidative cellular damage and enhanced lipid peroxidation. <a href="javascript:void(0);">(15−17)</a> Often, one of the results of MASLD progression is the development of liver fibrosis, which is usually mediated by transforming growth factor beta 1 (TGF-β1) as its levels are frequently elevated in MASH and contribute to the worsening of hepatic steatosis. <a href="javascript:void(0);">(18)</a> <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c09978#fig1">Figure 1</a> summarizes the pathways associated with MASLD to MASH progression, with emphasis on lipid peroxidation (CDs, LOOHs) and inflammatory/fibrogenic signaling (TNF-α, TGF-β1).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_23_33333_33344_Figure_1_Schematic_representation_of_lipid_peroxidation_and_its_role_in_MASLD_progression_e6a8e05d3e.jpeg" alt="ACS Omega 2026, 11, 23, 33333–33344: Figure 1. Schematic representation of lipid peroxidation and its role in MASLD progression. Lipid accumulation in MASLD leads to the release of free radicals and ROS, which attack (poly)unsaturated fatty acids within membrane lipids, leading to lipid peroxidation, inflammation (via TNF-α), and fibrotic changes (via TGF-β1), thereby contributing to the transition from MASLD to MASH and further progression to cirrhosis and HCC. In lipid peroxidation, reactive radicals (R·) subtract the hydrogen from the (poly)unsaturated lipid, thereby resulting in the formation of a lipid radical, which undergoes rearrangements to form a CD. The lipid radical then reacts with molecular oxygen to form an unstable lipid peroxyl radical, which further subtracts a hydrogen from another (poly)unsaturated lipid, thereby resulting in the formation of a LOOH. The subtraction of hydrogen from the (poly)unsaturated lipid also results in the formation of a lipid radical, thereby perpetuating the chain reaction. The figure was created with Servier Medical Art (https://smart.servier.com/) and MarvinSketch (ChemAxon, https://chemaxon.com/marvin)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_23_33333_33344_Figure_1_Schematic_representation_of_lipid_peroxidation_and_its_role_in_MASLD_progression_e6a8e05d3e.jpeg 216w," sizes="100vw" width="1834" height="1327">However, the exact role of different lipid peroxidation indicators and their contribution to MASLD progression toward MASH have not yet been fully elucidated, with the number of studies addressing this issue remaining limited. Given these limitations in research, attention has increasingly turned toward dietary antioxidants, particularly polyphenols or mixtures of polyphenol-rich plant extracts, as potential modulators of oxidative stress and lipid peroxidation in hepatic steatosis. <a href="javascript:void(0);">(19−23)</a>Among available polyphenols, we selected (−)-epicatechin (EC) because of its strong antioxidant and radical scavenging capacity, with its documented effects on inflammatory signaling. <a href="javascript:void(0);">(24−26)</a> One study even found that the antifibrotic properties of EC were comparable to those of silymarin, with EC showing even stronger reducing effects on malondialdehyde (MDA) formation in vivo. <a href="javascript:void(0);">(27)</a> Since MDA is a secondary product of LOOH breakdown, <a href="javascript:void(0);">(28)</a> these results could link EC’s potential antifibrotic properties to its ability to attenuate lipid peroxidation, thereby potentially mitigating the progression of MASLD to MASH. Unlike more extensively studied compounds such as epigallocatechin gallate, <a href="javascript:void(0);">(29,30)</a> EC has been less investigated in the context of MASLD, providing an opportunity to explore a novel candidate. At the same time, the growing use of advanced spectroscopic techniques offers new opportunities to monitor biochemical alterations in cells and tissues.Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy recently emerged as a promising tool for monitoring such changes. The application of ATR-FTIR spectroscopy and similar techniques for steatosis and lipid quantification, along with determining the lipid peroxidation extent, has been introduced, especially in the context of hepatic steatosis. Determining the intensity of C═O vibrational stretching at ∼1740 cm–1 (triacylglycerols, cholesteryl esters, lipid oxides), as this type of bond usually occurs in lipid peroxidation, could also be valuable for determining the overall extent of steatosis. <a href="javascript:void(0);">(31−33)</a> Along with lipid peroxidation extent, determining the degree of unsaturation in MASLD models is crucial for understanding the changes in cellular components as the degree of unsaturation is often found to decrease due to steatotic changes in cells and tissues. (Poly)unsaturated fatty acids contribute to membrane fluidity and are essential for maintaining membrane integrity and signaling, while their depletion leads to increased membrane rigidity and impaired cellular function. <a href="javascript:void(0);">(34,35)</a> Given their high susceptibility to peroxidation, a reduction in their levels could indicate either an adaptive response to oxidative stress or a disruption of lipid homeostasis. Therefore, correlating the degree of unsaturation (∼3010 cm–1 for ═C–H) and the intensity of carbonyl stretching (∼1740 cm–1 for C═O) with the LOOH/CD ratio and cytokines, TNF-α and TGF-β1, could be valuable for the noninvasive monitoring of disease progression.<h4>Methods</h4><h5>Experimental Design</h5>Two experimental models were introduced for the experiments: EC pretreatment and EC Posttreatment models. In both models, the untreated cells (UT) group was used as a negative (vehicle) control group, while the sodium oleate-treated group (OA) was used as a positive control group, with EC (control) being the highest concentration of EC used as a control for the tested compound. In the Pretreatment model, the cells were pretreated with 10, 30, and 50 μM EC for 4 h, followed by a 24 h posttreatment with 1.5 mM sodium oleate. In the Posttreatment model, the cells were treated with 1.5 mM sodium oleate for 12 h, followed by the addition of the same concentrations of EC in the presence of 0.75 mM sodium oleate. All of the experimental groups were labeled as EC50+OA, EC30+OA, and EC10+OA, according to the concentration used in the experiments. EC concentrations of 10, 30, and 50 μM were chosen based on our previous MTS assay and Oil Red O staining results, where we tested 10–100 μM EC to evaluate its effect on MASLD in the Pretreatment model. <a href="javascript:void(0);">(42)</a> As it was proven effective in the Pretreatment model, the Posttreatment model was added to evaluate whether EC could also mitigate oxidative and inflammatory/fibrotic changes once steatosis was already established. Another important consideration was to assess the potential cytotoxicity of the concentrations used, as EC and other polyphenols are often consumed as dietary supplements with poorly regulated dosages. As these cytotoxic effects are often subtle and overlooked in conventional biochemical assays, combining FTIR spectral analysis with complementary assays could provide a more comprehensive assessment of potential cytotoxicity.<h5>ATR-FTIR Assessment of Lipid Peroxidation</h5>ATR-FTIR spectroscopy was used to determine the extent of lipid peroxidation and steatosis. The lipid samples were dissolved in chloroform and normalized to a lipid concentration of 20 mg/mL. After the evaporation of the solvent, the ATR-FTIR spectra were recorded using an <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630">Agilent Cary 630 FTIR spectrophotometer</a> (Agilent Technologies, Santa Clara, CA, USA), at the Faculty of Biotechnology and Drug Development at the University of Rijeka. All ATR-FTIR spectra were processed using the automatic least-squares baseline correction algorithm implemented in <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=MicroLab+Expert">Agilent MicroLab Expert v.10.5 software</a> (4000–650 cm–1; clean scans: 4; threshold: 0.002; background scans: 2; sample scans: 100; resolution: 16 cm–1; apodization: HappGenzel; phase correct: Mertz; method gain: 221). Spectra of pure chloroform were recorded under identical conditions and subtracted from sample spectra to remove any residual solvent contributions. Chloroform was recorded to be excluded in the background, and the data were collected in the spectral range 3200–1600 cm–1 on an ATR device. To ensure comparability between samples, the spectra were normalized against the asymmetric CH2 stretching vibration of lipid acyl chains (2925–2922 cm–1), which was used as an internal reference band due to its relative stability across treatments and minimal alteration during lipid peroxidation. Baseline correction was applied prior to normalization to minimize background variability. Relative intensities of lipid peroxidation-associated bands (C═O stretching at 1744–1735 cm–1 and ═C–H stretching at 3010 cm–1) were then expressed as a ratio to the CH2 reference peak, allowing quantitative comparison of the lipid peroxidation extent between experimental groups. The data were presented as percent relative intensities (%Irel).<h4>Results and Discussion</h4><h5>ATR-FTIR Spectroscopy for the Assessment of Lipid Peroxidation and Steatosis Extent</h5>To evaluate the overall steatosis and lipid peroxidation extent in HepG2 cells, ATR-FTIR spectroscopy was used. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c09978#fig5">Figure 5</a> shows the 3200–1600 cm–1 spectral region, including the key C═O (1744–1735 cm–1) and ═C–H (3010 cm–1) stretching bands, which correlated with the biochemical parameters measured in this study. The increased intensity of the C═O band in sodium oleate-treated groups corresponds to the accumulation of oxidized lipid species derived from peroxidation of (poly)unsaturated fatty acids. On the other hand, a decrease in the ═C–H stretching band near 3010 cm–1 indicates a progressive depletion of double bonds which undergo rearrangement to form CDs or further transformations associated with lipid peroxidation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_23_33333_33344_Figure_5_ATR_FTIR_spectra_of_control_groups_aabfabbdc1.jpeg" alt="ACS Omega 2026, 11, 23, 33333–33344: Figure 5. ATR-FTIR spectra of control groups: UT (blue) and EC (control) (purple); along with experimental groups: OA (yellow), EC50+OA (red), EC30+OA (orange), and EC10+OA (brown) in the wavenumber range 3200–1600 cm–1 for the (a) EC Pretreatment Model and (b) EC Posttreatment Model." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_23_33333_33344_Figure_5_ATR_FTIR_spectra_of_control_groups_aabfabbdc1.jpeg 193w," sizes="100vw" width="1572" height="1272">All experimental groups show similar FTIR profiles in the lipid regions; however, to determine the overall extent of lipid peroxidation and steatosis, the relative intensities of ═C–H stretching of unsaturated lipids (3010 cm–1) and C═O stretching of esters (1744–1735 cm–1) were measured according to the baseline and normalized according to asymmetric CH2 stretching of lipid chains (2925–2922 cm–1) (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c09978#fig6">Figure 6</a>). This approach was chosen as the greatest changes were noticed among the given intensities of the peaks in all groups.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_23_33333_33344_Figure_6_Percent_relative_intensities_e921d53b57.jpeg" alt="ACS Omega 2026, 11, 23, 33333–33344: Figure 6. Percent relative intensities (%Irel) of ═C–H stretching (unsaturated lipids) and C═O stretching of esters for the (a) EC Pretreatment Model and (b) EC Posttreatment Model. The results are presented as mean values of %Irel ± SD." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_23_33333_33344_Figure_6_Percent_relative_intensities_e921d53b57.jpeg 149w," sizes="100vw" width="1000" height="1044">Also, as indicated in the literature, the increase in intensities of C═O stretching and a decrease in intensities of ═C–H stretching are mostly associated with an increase in the lipid peroxidation extent. <a href="javascript:void(0);">(33,50)</a> Furthermore, a decrease in ═C–H stretching corresponds to a decrease in the (poly)unsaturated fatty acid content, which is often noted in MASLD/MASH models. <a href="javascript:void(0);">(51,52)</a><h4>Conclusion</h4>In a sodium oleate-induced hepatic steatosis model, EC showed a concentration-dependent effect on the overall radical scavenging ability of HepG2 cells. However, when EC was given as a posttreatment, these results were not achievable. EC also reduced propagation-phase lipid peroxidation by reducing relative LOOH levels in both models, lowering the LOOH/CD ratio (except for the EC50+OA pretreatment group), and effectively decreasing sodium oleate-induced increases in TNF-α and TGF-β1 concentrations. ATR-FTIR results were consistent with changes in lipid (per)oxidation and reflected the overall antioxidant and anti-inflammatory effects of EC observed through biochemical assays. Compared with biochemical assays, ATR-FTIR spectroscopy has several advantages, including rapid and nondestructive analysis that requires minimal sample preparation. Considering that it can simultaneously capture multiple molecular changes, this represents a reliable approach for accurate and complementary insights into lipid peroxidation and redox alterations in MASLD. However, it is important to correlate ATR-FTIR spectral changes with biochemical assays to further strengthen its interpretation.</div>

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A Rapid, Antigen-Independent Diagnostic Strategy for Chronic Chagas Disease Based on Serum ATR-FTIR Spectroscopy and Machine Learning

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