<p><strong>The leaflet outlines the role and handling of analytical equipment and systems in the process of a laboratory dealing with the analysis of chemical elements and molecules. It is an introduction to topics being considered by the Eurachem Analytical Equipment and Systems Qualification Working Group.&nbsp;</strong></p><p>Various steps are required to draw a conclusion concerning the <strong>object being examined</strong> (sampling target), see Fig. 1. The core part, the analytical <strong>measurement</strong>, is based on an <strong>analytical principle</strong>. The measurement is based on a physical or chemical interaction, e.g. between light of a certain wavelength and the sample, which leads to a displayed measured value. This measurement is carried out using analytical equipment. This <strong>equipment</strong> must be <strong>fit for its intended use</strong>. Complex analytical equipment with extensive data processing is referred to as a system. Analytical equipment is used to perform the <strong>analytical method</strong>. The method must be validated to demonstrate that it is <strong>fit for purpose</strong>.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Fig_1_Analytical_principle_method_and_procedure_1_b751d25236.jpg" alt="Eurachem: Fig. 1 Analytical principle, method and procedure [1]" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Fig_1_Analytical_principle_method_and_procedure_1_b751d25236.jpg 245w," sizes="100vw" width="841" height="439"></p><h4><strong>The pyramid of quality&nbsp;</strong></h4><p>The pyramid of quality (Fig. 2) covers the <strong>analytical method</strong>. In order to produce a reproducible, <strong>reportable result</strong> that is suitable for the intended purpose, the <strong>equipment (system) </strong>(1<sup>st</sup> level) and <strong>analytical method </strong>(2<sup>nd</sup> level) must be well defined and under control, qualified or validated, respectively.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Fig_2_Pyramid_of_quality_979312ac6b.jpg" alt="Eurachem: Fig. 2 Pyramid of quality" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Fig_2_Pyramid_of_quality_979312ac6b.jpg 163w," sizes="100vw" width="708" height="677"></p><p>The equipment must have similar performance when carrying out the analyses as when developing and validating the method. Particularly in the case of methods based on libraries or training datasets, the long-term stability of the equipment must be ensured. In the case of transfer of the method to other equipment, both sets of equipment must have similar performance.&nbsp;</p><p>The performance of the equipment and the behaviour of the method are monitored by quality control measures. This is the purpose of the <strong>internal</strong> or <strong>short term</strong> (3<sup>rd</sup> level) and <strong>inter-laboratory</strong> or <strong>long term</strong> (4<sup>th</sup> level) <strong>quality assurance</strong>. When selecting the quality assurance elements, the findings from levels 1 and 2 are taken into account.&nbsp;</p><h4><strong>Is "calibration" sufficient?&nbsp;</strong></h4><p>All relevant quality assurance systems, e.g. those meeting the requirements of ISO/IEC 17025 [2] and related standards, require equipment and systems to be traceably calibrated. But is that enough to prove the fitness for the intended use of the analytical equipment?&nbsp;</p><p>According to the definition in VIM [3] calibration is the operation that, under specified conditions, establishes a relation between the <strong>quantity values</strong> with measurement uncertainties provided by measurement standards <strong>and corresponding indications</strong> with associated measurement uncertainties. It is implicitly assumed that the <strong>influencing quantities</strong> (e.g. ambient conditions, temperature, flow rates, intensities of signal sources, etc.) are constant and do not exhibit any short or long-term fluctuations or drifts. This assumes that no changes occur due to influencing quantities.&nbsp;</p><p>Nevertheless this is not the case in everyday analytical work. The influence of fluctuations or changes in the influencing quantities is evaluated through robustness investigations during method development and validation. The magnitude of the fluctuations or deviations of the equipment is specified and verified during equipment qualification.&nbsp;</p><h4><strong>The Fitness for Intended Use&nbsp;</strong></h4><p>The life cycle (Fig. 3) of new equipment to be purchased by the laboratory begins with the definition of the requirements and the intended use of the equipment.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Fig_3_Equipment_or_system_lifecycle_2919ea802d.jpg" alt="Eurachem: Fig. 3 Equipment or system lifecycle" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Fig_3_Equipment_or_system_lifecycle_2919ea802d.jpg 186w," sizes="100vw" width="887" height="742"></p><p>The <strong>User Requirement Specifications (URS) </strong>define the selection criteria and the operational ranges of the equipment parameters (influence variables), e.g. flows, temperatures, analysis volumes, etc. Considerations to support data integrity and traceability are also included in the URS. For more complex systems, the interfaces and compatibility of the components are essential.&nbsp;</p><p>All considerations made in this phase have an impact on the entire life cycle, i.e. right through to decommissioning. The stability and variability of the influence variables are monitored over the entire service life.&nbsp;</p><p>In most cases, data and metadata should remain accessible and analysable beyond the end of the equipment's life. The laboratory must use its resources as sparingly and sustainably as possible. This includes the expected service life and the costs incurred. Data integrity considerations (ALCOA+ = <strong>A</strong>ttributable, <strong>L</strong>egible, <strong>C</strong>ontemporaneous, <strong>O</strong>riginal, <strong>A</strong>ccurate, + Complete, Consistent, Enduring, Available) play a role during operation and at the end of life. These include paper records and electronic records.&nbsp;</p><p>In the pharmaceutical industry, qualification of equipment and thus ensuring that analytical equipment and systems are suitable for the intended use, is mandatory, and the respective processes are often clearly defined. Specifications are also comprehensively defined for various equipment classes.&nbsp;</p><p>The ISO standards, in particular ISO 9001 [4], ISO 10012 [5], ISO/IEC 17025 [2], ISO 17034 [6] or ISO/IEC 17043 [7], cover a very large area and a wide range of sectors. For specific sectors, an interpretation of the standards is required. Eurachem guides cover requirements for analytical chemistry and related disciplines. The Analytical Equipment and Systems Qualification Working Group is therefore developing guidance on establishing the fitness for intended use of analytical equipment and systems aimed at these disciplines.</p>

Fitness for the intended use of analytical equipment and systems

<p><strong>In the week from March 23, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Anton Paar: Achieving Reliable Viscosity Results in Daily Lab Work</strong></h5><ul><li>Tu, 24.3.2026 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6017">Registration</a></li></ul><p>Join this free Anton Paar webinar to find out how to choose the right setup, avoid common measurement mistakes, and improve reproducibility in your lab viscosity measurements.</p><h5><strong>2. Bruker: Illuminating Brain Function through Two-Photon Microscopy: Calcium and Voltage Dynamics with Optogenetics</strong></h5><ul><li>Tu, 24.3.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6014">Registration</a></li></ul><p>Discover advances in two-photon microscopy in this webinar featuring Bruker’s Ultima 2Pplus system and modules for 3D optogenetics, voltage imaging, fast volumetric imaging, and mesoscale neuroscience research.</p><h5><strong>3. Agilent Technologies: How can MassHunter software help you when you need help with your ICP-MS?</strong></h5><ul><li>Tu, 24.3.2026 20:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6042">Registration</a></li></ul><p>Learn how MassHunter® software tools can streamline ICP-MS troubleshooting, method development, and proactive maintenance to reduce downtime and improve analytical performance.</p><h5><strong>4. Thermo Fisher Scientific: Hypulse Surface Analysis System Demonstration</strong></h5><ul><li>We, 25.3.2026 14:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6028">Registration</a></li></ul><p>We will introduce the Thermo Scientific Hypulse Surface Analysis System and demonstrate how it can be used to go beyond the limits of ion beam depth profiling.</p><h5><strong>5. Bruker: Unlocking BioAFM Performance: From Sample Preparation to Advanced Accessories</strong></h5><ul><li>We, 25.3.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6015">Registration</a></li></ul><p>Learn best practices for atomic force microscopy (AFM) in this webinar covering sample preparation, advanced imaging modes, environmental control, and AI-enabled features that expand AFM capabilities.</p><h5><strong>6. SPECTRO Analytical Instruments: Grade Search or Grade Control: Choosing the Right Method for Reliable Metal Verification</strong></h5><ul><li>Th, 26.3.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6024">Registration</a></li></ul><p>Learn how to prevent alloy mix-ups using PMI strategies. Discover when to apply grade identification or verification, and explore real workflows with mobile OES, handheld XRF, and structured metal databases.</p><h5><strong>7. LECO: Solving Aluminum Challenges with Modern Characterization Tools</strong></h5><ul><li>Th, 26.3.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5939">Registration</a></li></ul><p>Learn how GD-OES, metallography, and hydrogen analysis combine to evaluate aluminum alloy quality, detect defects, and improve processing consistency in high-performance manufacturing.</p><h5><strong>8. Mettler-Toledo: Thermal Analysis for Safety Evaluation of Chemical Processes</strong></h5><ul><li>Th, 26.3.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5735">Registration</a></li></ul><p>Join this webinar to explore how thermal analysis helps identify thermal hazards, improve process safety, and prevent runaway reactions in chemical production.</p>

Webinars LabRulezICPMS Week 13/2026

<p><strong>This study presents a novel thiosemicarbazone-functionalized sorbent for ultrasound-assisted dispersive microsolid phase extraction of Cu(II), Cd(II), and As(III) from environmental and food samples. The method, coupled with ICP-OES, demonstrated high sensitivity, low detection limits, and reliable performance in irrigation water, soil, and tomato matrices.</strong></p><p>Density functional theory calculations and molecular docking analyses further explored the ligand’s electronic properties and potential antimicrobial activity. The integrated approach highlights the multifunctional applicability of the sorbent for trace metal monitoring and prospective biomedical research.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08559"><strong>UA-DMSPE Determination of Cu(II), Cd(II), and As(III) in Water, Soil, and Tomato Using a Novel Thiosemicarbazone Sorbent: ICP-OES Performance with DFT Characterization and Antimicrobial-Target Docking</strong></a></h4><p>Serkan Öncüoğlu*</p><p>ACS Omega 2026, 11, 1, 1213–1235</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c08559">https://doi.org/10.1021/acsomega.5c08559</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p>Heavy metals such as Cu(II), Cd(II), and As(III) pose significant threats to both the environment and human health due to their toxicity, bioaccumulation potential, and persistence in ecosystems. Especially cadmium and arsenic, even at trace concentrations, are known to exert nephrotoxic, neurotoxic, and carcinogenic effects through long-term exposure. <a href="javascript:void(0);">(1−6)</a> Therefore, their accurate, sensitive, and selective determination in natural and drinking water sources is one of the critical challenges in environmental monitoring. Although spectroscopic techniques such as ICP-OES and ICP-MS offer high sensitivity, the ultratrace levels of these metals in complex environmental matrices necessitate effective preconcentration strategies to ensure reliable quantification. <a href="javascript:void(0);">(7−10)</a> Among various sample preparation techniques, dispersive microsolid-phase extraction (DMSPE) has gained considerable attention due to its rapid phase interaction, low solvent consumption, and elimination of elution steps. <a href="javascript:void(0);">(11−21)</a></p><p>In addition to aquatic matrices, the accumulation of heavy metals such as Cu(II), Cd(II), and As(III) in soil poses serious ecological and agricultural threats. <a href="javascript:void(0);">(22−24)</a> However, the accurate determination of heavy metals in soils is complicated by strong adsorption to heterogeneous mineral phases, binding to humic substances, and site-specific variability, all of which can obscure true analyte concentrations and hinder reproducibility. Vegetables cultivated in metal-contaminated soils such as tomatoes can absorb these elements and introduce them into the human food chain either directly or through animal-derived products. This exposure route may result in severe health effects, including gastrointestinal and respiratory disorders, liver toxicity, and even cancer. <a href="javascript:void(0);">(25−27)</a> Moreover, the trace metal balance in soil, including essential elements such as Zn, Fe, and Cu, significantly affects plant health and crop productivity. While micronutrients are vital for growth, excessive levels of certain metals (e.g., Al, Fe) may negatively impact soil fertility. <a href="javascript:void(0);">(28−32)</a> Hence, trace metal analysis in soil is crucial not only for toxicological assessment but also for sustainable agricultural practices. <a href="javascript:void(0);">(33−35)</a></p><p>Plant-based matrices, particularly edible vegetables, are also valuable indicators of environmental contamination. Nevertheless, accurate monitoring in plant tissues remains challenging due to multistep pretreatment requirements (washing, drying, grinding, digestion) and the high organic content of the matrix, which can cause spectral interferences and analyte loss during preparation. Major elements like Ca, K, and Mg, along with trace essential elements such as Fe, Zn, Mn, Cu, and Se, are vital for human metabolism. <a href="javascript:void(0);">(36−39)</a> However, their excess or deficiency may lead to various disorders, and toxic elements such as Cd, Pb, As, and Hg can pose serious health risks even at very low concentrations. <a href="javascript:void(0);">(40−44)</a> Inductively coupled plasma optical emission spectroscopy (ICP-OES) remains a leading technique for elemental analysis in plant samples due to its multielement detection, broad linear range, and low detection limits. <a href="javascript:void(0);">(45−49)</a> Yet, accurate analysis of solid plant matrices like vegetables requires multistep sample preparation including washing, drying, grinding, acid digestion, and filtration before instrumental measurement. <a href="javascript:void(0);">(50)</a> In line with the principles of green analytical chemistry, recent efforts focus on minimizing reagent use, simplifying procedures, and improving environmental sustainability in such analytical workflows. <a href="javascript:void(0);">(51−54)</a></p><p>A critical factor in DMSPE is the selection of a suitable chelating agent that offers fast complexation, aqueous solubility, and stability over a wide pH range. In this context, thiosemicarbazones (TSCs) have emerged as highly effective ligands due to their polydentate nature and versatile coordination behavior, especially toward soft metal ions such as Cu(II), Cd(II), and As(III). <a href="javascript:void(0);">(55−65)</a> Literature reveals that TSC ligands not only improve analytical performance in metal extraction but also display significant biological activities including antibacterial, antifungal, antituberculosis, and anticancer properties. <a href="javascript:void(0);">(66−68)</a> Moreover, the incorporation of nitrogen-containing heterocycles, such as pyrazole rings, into TSC structures has been shown to enhance both coordination capacity and pharmacological potential. <a href="javascript:void(0);">(69)</a> These structural features increase cell membrane permeability and biological target interaction, broadening their application in medicinal chemistry. <a href="javascript:void(0);">(70−76)</a> TSC-based metal complexes, particularly with Cu(II), Ni(II), Co(II), Pt(II), and Ru(II), have exhibited promising results against various bacterial strains and tumor cell lines. <a href="javascript:void(0);">(77−79)</a></p><p>Recent studies have also demonstrated the potential of nanoparticle-functionalized sorbents such as Fe<sub>3</sub>O<sub>4</sub> magnetic cores coated with poly(8-hydroxyquinoline) for the selective and efficient extraction of Cu(II) from complex matrices like soil, tomato, and water samples. <a href="javascript:void(0);">(80)</a> These materials offer excellent surface area, tunable selectivity, and low detection limits, while their magnetic responsiveness facilitates rapid separation without centrifugation. <a href="javascript:void(0);">(81−84)</a> The selection of water, soil, and tomato matrices was made to encompass distinct yet complementary exposure pathways: water as a direct route for both human consumption and agricultural applications, soil as the principal environmental reservoir and source of contamination, and tomato as a representative edible crop widely consumed for its capacity to accumulate trace metals from contaminated soils.</p><p>In this study, I report the synthesis and structural characterization of a novel thiosemicarbazone derivative not previously described in the literature. The synthesized ligand was covalently immobilized onto a silica-based sorbent and applied in the UA-DMSPE procedure for the selective extraction and enrichment of Cu(II), Cd(II), and As(III) from environmental water, soil, and tomato samples, followed by quantification via ICP-OES. In this regard, the UA-DMSPE approach developed in this study minimizes sample handling steps, reduces matrix interferences, and enhances recovery efficiency, thereby addressing many of the limitations commonly associated with soil- and plant-based matrices. The novelty of this work lies in combining a newly designed TSC derivative with UA-DMSPE to achieve a high recovery at trace levels with improved reproducibility. Furthermore, the integration of DFT calculations and docking studies provides a unique interdisciplinary perspective, reinforcing both the environmental monitoring applications and the potential biomedical relevance of the ligand.</p><h4><strong>Experimental Section</strong></h4><p>The structural characterization of the synthesized compound was carried out using <sup>1</sup>H NMR spectroscopy on a high-resolution Bruker WH-400 Fourier Transform NMR spectrometer. FTIR spectra were recorded by using a PerkinElmer Spectrum BX-II instrument. Elemental compositions (C, H, N, and S) were determined by using a <strong>LECO CHNS-O-9320 elemental analyzer</strong>. Surface morphology and elemental composition of the sorbent were examined by scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDX), using a Zeiss Evo HD15 system equipped with a tungsten electron source.</p><p>Ultrasound-assisted extraction procedures were performed in a Bandelin ultrasonic bath. Ultrapure water utilized throughout the experiments was supplied by a Thermo Scientific Smart2Pure Pro system. Quantitative analysis of metal ions was conducted by using a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Varian+710-ES"><strong>Varian 710-ES</strong></a> inductively coupled plasma optical emission spectrometer (ICP-OES). The emission wavelengths employed for the determination of Cu(II), Cd(II), and As(III) were 324.75, 228.80, and 193.70 nm, respectively.</p><h4><strong>Results and Discussion</strong></h4><h5><strong>Characterization of Si-Carb-Formazan</strong></h5><p>Structural characterization of the synthesized silica-based sorbent modified with a thiosemicarbazone (TSC) ligand was conducted by using FTIR spectroscopy and SEM-EDX analyses. As illustrated in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08559#fig3">Figure 3</a>, the FTIR spectra provided clear evidence for the presence of both the silica support and the organic ligand. In the spectrum of unmodified silica (red), a broad absorption around 3436 cm<sup>–1</sup> was attributed to O–H stretching vibrations of surface silanol groups, while a distinct peak near 1090 cm<sup>–1</sup> indicated the asymmetric stretching of Si–O–Si bonds. Additional bands between 966 and 808 cm<sup>–1</sup> were assigned to bending vibrations associated with Si–O and Si–OH functionalities.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_1_1213_1235_Figure_3_Comparative_FTIR_spectra_of_the_TSC_ligand_36aed1fecd.jpg" alt="ACS Omega 2026, 11, 1, 1213–1235: Figure 3. Comparative FTIR spectra of the TSC ligand (black), functionalized silica material (blue), and unmodified silica (red) are shown from top to bottom, respectively." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_1_1213_1235_Figure_3_Comparative_FTIR_spectra_of_the_TSC_ligand_36aed1fecd.jpg 245w," sizes="100vw" width="2088" height="1265"></p><p>The pure TSC ligand spectrum (black) revealed a broad band at 3429 cm<sup>–1</sup>, corresponding to N–H stretching vibrations. A strong absorption at 1542 cm<sup>–1</sup> confirmed the presence of the imine group (C═N), a key structural feature of the TSC. Moreover, the peaks at 2956 and 2771 cm<sup>–1</sup> were consistent with aliphatic C–H stretching modes, and the range between 1248 and 1018 cm<sup>–1</sup> showed characteristic C–N stretching vibrations.</p><p>In the spectrum of the functionalized silica material (blue), absorption features from both the silica matrix and the organic ligand were observed, indicating successful covalent grafting. The persistent presence of the imine C═N band at 1543 cm<sup>–1</sup> demonstrated that the TSC retained its structural identity postimmobilization. The broad signal at 3426 cm<sup>–1</sup> suggested overlapping of the O–H and N–H stretching vibrations from the silica and the ligand moieties. Furthermore, the intense band at 1109 cm<sup>–1</sup> confirmed the structural integrity of the silica framework through Si–O–Si vibrations, and the peaks at 2962 and 2770 cm<sup>–1</sup> supported the presence of aliphatic C–H groups associated with the ligand. Altogether, these spectroscopic observations conclusively verified the successful functionalization of the silica surface with the TSC ligand via chemical bonding interactions.</p><p>Morphological and elemental characteristics of the TSC-functionalized silica sorbent were evaluated both before and after metal ion adsorption using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and elemental mapping techniques. As depicted in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08559#fig4">Figure 4</a>, the SEM micrograph obtained prior to metal binding revealed a relatively uniform and porous surface topology. Following the adsorption process, noticeable morphological changes were observed, including increased surface roughness and particle agglomeration, indicating the interaction between the sorbent and metal ions.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_1_1213_1235_Figure_4_SEM_images_and_EDX_spectra_of_the_sorbent_before_and_after_metal_sorption_81e625a900.jpg" alt="ACS Omega 2026, 11, 1, 1213–1235: Figure 4. SEM images and EDX spectra of the sorbent before and after metal sorption." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_1_1213_1235_Figure_4_SEM_images_and_EDX_spectra_of_the_sorbent_before_and_after_metal_sorption_81e625a900.jpg 170w," sizes="100vw" width="2088" height="1916"></p><p>Furthermore, EDX spectral analysis of the pristine sorbent confirmed the presence of only silicon (Si) and oxygen (O), consistent with the silica matrix. However, after exposure to metal-containing samples, new peaks corresponding to arsenic (As), cadmium (Cd), and copper (Cu) appeared in the EDX spectrum, demonstrating that these metal ions were successfully captured by the sorbent. Complementary EDX mapping further confirmed that these metal ions were uniformly distributed across the surface of the material, providing visual evidence of effective and homogeneous adsorption. Collectively, these findings validate the selectivity and efficiency of the prepared sorbent for the adsorption of As(III), Cd(II), and Cu(II) ions from complex matrices.</p><p>C<sub>12</sub>H<sub>12</sub>BrN<sub>3</sub>S<sub>2</sub>: Calc. %C: 42.11; H, 3.53; N, 12.28; S, 18.73. Found: %C: 41.81; H, 3.42; N, 12.17; S, 18.75. FTIR (KBr pellet) ν/cm<sup>–1</sup> 3429 (N–H), 1542 (C═N), 1124 (N–N), 839 (C═S), 792 and 725 (thiophen and phenyl ring stretching). <sup>1</sup>H NMR (400 MHz, DMSO-d6) data [δ 11.14 (s, 1H), 8.33 (s, 1H), 7.97–7.89 (m, 2H, ArH), 7.50–7.39 (m, 2H, ArH), 3.23 (s, 6H, N(CH<sub>3</sub>)<sub>2</sub>)] are correctly cited as <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08559#fig5">Figure 5</a>, whereas the <sup>13</sup>C NMR (100 MHz, chloroform-d) data [δ: 173.89, 143.82, 137.17, 134.85, 131.50, 127.95, 125.69, 125.57, 122.63, 116.97, 40.18 (2 × C)] are cited as <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08559#fig6">Figure 6</a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_1_1213_1235_Figure_5_1_H_NMR_spectrum_of_the_synthesized_thiosemicarbazone_TSC_ligand_79cb0c999e.jpg" alt="ACS Omega 2026, 11, 1, 1213–1235: Figure 5. 1H NMR spectrum of the synthesized thiosemicarbazone (TSC) ligand." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_1_1213_1235_Figure_5_1_H_NMR_spectrum_of_the_synthesized_thiosemicarbazone_TSC_ligand_79cb0c999e.jpg 245w," sizes="100vw" width="2088" height="1096"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_1_1213_1235_Figure_6_13_C_NMR_spectrum_of_the_synthesized_thiosemicarbazone_TSC_ligand_8b3a4af07a.jpg" alt="ACS Omega 2026, 11, 1, 1213–1235: Figure 6. 13C NMR spectrum of the synthesized thiosemicarbazone (TSC) ligand." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_1_1213_1235_Figure_6_13_C_NMR_spectrum_of_the_synthesized_thiosemicarbazone_TSC_ligand_8b3a4af07a.jpg 245w," sizes="100vw" width="2088" height="1037"></p><h4><strong>Conclusions</strong></h4><p>In this study, a novel thiosemicarbazone derivative was successfully synthesized and characterized using spectroscopic (FTIR, NMR) techniques. Its coordination behavior toward Cu(II), Cd(II), and As(III) ions was systematically investigated using the UA-DMSPE method, demonstrating high extraction efficiency and selectivity under optimized conditions. The method was effectively applied to real samples, including water, soil, and tomato matrices, highlighting its potential for environmental and food safety monitoring.</p><p>Computational studies provided theoretical insights into the stability and electronic features of the ligand with DFT calculations supporting and rationalizing the experimentally observed donor–acceptor interactions. Molecular docking analyses revealed moderate but specific binding affinities of the ligand toward biologically relevant proteins, suggesting potential pharmacological relevance in addition to its analytical applications.</p><p>Overall, the integration of synthesis, analytical validation, and computational modeling provides comprehensive insight into the multifunctional properties of this novel thiosemicarbazone derivative. The findings not only establish a reliable platform for trace metal monitoring in complex matrices but also open avenues for future investigations of thiosemicarbazones as dual-purpose ligands with both environmental and biomedical significance.</p></div>

UA-DMSPE Determination of Cu(II), Cd(II), and As(III) in Water, Soil, and Tomato Using a Novel Thiosemicarbazone Sorbent: ICP-OES Performance with DFT Characterization and Antimicrobial-Target Docking

Article

Webinars

Scientific article

Science and research

Eurachem is a European network promoting international traceability of chemical measurements and good analytical practice. It provides expert guidance, supports method validation, uncertainty evaluation, proficiency testing, and facilitates discussion on technical and policy issues in analytical quality.

Eurachem

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Mettler-Toledo

Agilent Technologies

LECO

Thermo Fisher Scientific

<header><h4><strong>Discover Useful Applications for Characterizing These Unique Materials</strong></h4></header><main><div><div><h5><strong>Program</strong></h5><ul><li>Introduction to nanomaterials</li><li>Basic properties and uses</li><li>Relevant thermal analysis techniques</li><li>Industries and suitable investigations</li><li>Application examples for industry and research (DSC, Flash DSC, TGA, and DMA)</li><li>Interactive Q&amp;A session</li></ul></div></div><div><div><div><p>Nanomaterials exhibit unique and diverse properties that enable a wide range of innovative applications. Their unique properties enhance catalysis, improve mechanical strength, and can even provide antibacterial effects in clothing. Their nanoscale size facilitates nucleation and also influences magnetic behavior.</p><p>Understanding the behavior of nanomaterials is crucial for harnessing their unique properties. This knowledge enables their use in advanced materials and innovative technological applications.</p><p><strong>Join our live webinar to explore how thermal analysis techniques can reveal the unique properties of nanomaterials.</strong></p><p>Be sure to prepare your questions for the live Q&amp;A with our experts!</p><h4><strong>Thermal Analysis Techniques for Characterizing Nanomaterials</strong></h4><ul><li><strong>DSC and Flash DSC</strong> are important techniques used to determine the glass transition, melting, crystallization behavior, reaction enthalpies and kinetics, and the influence of nanoparticle fillers.</li><li><strong>TGA</strong> is used to investigate stability, decomposition behavior and water sorption of nanomaterials.</li><li><strong>DMA</strong> is useful for characterizing the influence of nanoparticles on the mechanical behavior of viscoelastic materials as a function of time, temperature, and frequency of an oscillating stress.</li></ul><p>Don't miss the chance to deepen your understanding of thermal analysis techniques for characterizing these unique materials. Reserve your spot today!</p><h4><strong>Properties and Uses of Nanomaterials</strong></h4><p>The unique properties of nanomaterials enable diverse applications. For example, due to their high surface area, inefficient or unfavorable chemical reactions can often be improved by nanoparticle <strong>catalysts</strong>. When integrated into bulk materials, nanoparticles can <strong>tailor mechanical properties</strong> for advanced performance. Silver nanoparticles impart <strong>antibacterial qualities to clothing</strong>, preventing odors by eliminating bacteria. Additionally, their nanoscale size facilitates <strong>nucleation</strong>, aiding crystallization of larger molecules that would otherwise have difficulty crystallizing on their own.</p><p>Other uses of nanomaterials include structures such as <strong>silica gels </strong>and <strong>molecular sieves</strong> that have functional geometries on a nanoscale. Magnetic behavior can also vary with nanoparticle size, influencing <strong>magnetization dynamics</strong>.</p><p>These fascinating characteristics make nanomaterials pivotal in cutting-edge technology and materials science.&nbsp;</p></div><div><div data-advanced-option="false" data-has-preview-image="false" data-video-id="" data-component-id="2110920040"><div style="max-width:1px;width:100%;" id="mediaContainerWrapper_2110920040"><div style="height:1px;width:1px;" data-external-url="" id="mediaContainer_2110920040" data-advanced-option="false" data-width="1" data-height="1" data-video-id="">&nbsp;</div></div></div></div></div></div></main><div><div><div data-advanced-option="false" data-has-preview-image="false" data-video-id="" data-component-id="2110920040"><blockquote><div><strong>Presenter: </strong>Nicolas Fedelich</div><p>With a background in chemical engineering, Nicolas joined METTLER TOLEDO in 2009 as an application specialist for thermal analysis. Before that, he gained expertise in different laboratories implementing, developing, and validating analytical methods in both the pharmaceutical and environmental fields. Nicolas also worked for three years in the field carrying out on-site customer training and providing expert thermal analysis application support. In his present position, Nicolas expertly uses, teaches, and supports DSC, TGA, TMA, and DMA instruments at the METTLER TOLEDO head office in Switzerland.</p></blockquote></div></div></div>

Mettler Toledo: Thermal Analysis of Nanomaterials

Thermal Analysis of Nanomaterials

Join our live webinar to explore how thermal analysis techniques can reveal the unique properties of nanomaterials.

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><p><strong>General tips and advice to improve analysis quality, minimize downtime, increase laboratory efficiencies and reduce costs on your ICP-OES or ICP-MS.</strong></p><h5><strong>Learning Points</strong></h5><ul><li>How to optimize your instrument to improve data quality</li><li>Troubleshooting and maintenance tips and tricks</li><li>Improving your sample preparation techniques</li></ul><h5><strong>Who should attend?</strong></h5><ul><li>Users looking to enhance their current trace elemental analysis</li><li>Users who are looking to overcome their current trace elemental analysis challenges within their laboratory</li><li>Users looking to gain more experience of trace elemental analysis</li></ul><blockquote><p><strong>Presenter: </strong>Matthew Gregory (Field Application Scientist, EMEA North, Trace Elemental Analysis, Thermo Fisher Scientific)</p><p>After graduating from the University of Surrey with an MChem in Chemistry, Matthew has gained over 20 years’ experience of trace elemental analysis in industry, working in environmental and precious metal research laboratories. In 2018, Matthew joined Thermo Fisher Scientific as an Applications Specialist for the Trace Elemental Analysis product range in the UK and Ireland.</p><p><strong>Presenter: </strong>David Fishwick (Field Application Scientist, EMEA North, Trace Elemental Analysis, Thermo Fisher Scientific)</p><p>David joined Thermo in 2022 as an Applications Specialist for the Trace Elemental Analysis product range in the UK and Ireland. Prior to joining Thermo, David has gained experience of trace elemental analysis and chromatography in industry, working in GMP, GLP and UKAS accrediated R&amp;D and pharmaceutical laboratories. David holds a BSc in Chemistry from Bangor University.</p><p><strong>Presenter: </strong>Petra Gerhards (Regional Marketing Manager, EMEA, AAT, Thermo Fisher Scientific)</p><p>Petra ist Diplom-Ingenieurin für instrumentelle analytische Chemie der Technischen Universität Krefeld/Deutschland. Seit mehr als 30 Jahren arbeitet sie auf dem Gebiet der Gaschromatographie und hat Erfahrung mit vielen Technologien im Bereich GC und GC-MS. Derzeit unterstützt sie in ihrer Position als EMEA Regional Marketing Manager Anwender und Kundenanwendungsteams in ganz EMEA.</p></blockquote></div></div></div>

Thermo Fisher Scientific: Lunch and Learn Tips and Tricks Series: Trace Elemental Analysis (ICP-OES & ICP-MS)

Lunch and Learn Tips and Tricks Series: Trace Elemental Analysis (ICP-OES & ICP-MS)

Expert tips for ICP-OES and ICP-MS to improve data quality, reduce downtime, and increase laboratory efficiency.

Lunch & Learn: ICP-OES & ICP-MS Tips

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><p><strong>The webinar “Analysis of the Key Parameters of Biofuels” provides a detailed overview of how biofuels—and solid fuels such as SRF (Solid Recovered Fuels)—can be analyzed efficiently with high sample throughput and outstanding analytical precision. Reliable fuel characterization is essential for quality control, process optimization, and regulatory compliance in energy generation and fuel trading.</strong></p><p>Biofuels are typically characterized by a range of critical parameters, all of which will be addressed in this webinar. These include MVA analysis (Moisture, Volatile Matter, Ash), CHNS determination (Carbon, Hydrogen, Nitrogen, Sulfur), calorific value determination, moisture analysis, and ash fusion behavior. The webinar will explain how these parameters are measured, how they influence fuel performance, and how modern analytical systems support fast and reproducible results.</p><p>CHNS determination plays a central role in the evaluation of biofuels, as elemental composition directly affects combustion behavior, energy content, and emission potential. Accurate CHNS data are essential for calculating stoichiometric combustion conditions, assessing fuel quality, and ensuring compliance with environmental and technical specifications.</p><p>Finally, the webinar will provide an overview of suitable LECO analytical instruments for biofuel and SRF analysis. Instrument concepts, automation options, and practical laboratory considerations will be discussed, demonstrating how high analytical performance can be combined with efficiency and robustness in routine fuel testing.</p><blockquote><p><strong>Presenter: </strong>Michael Jakob (Elemental Field Product Manager)</p></blockquote></div></div></div>

LECO: Analysis of the Key Parameters of Biofuels

Analysis of the Key Parameters of Biofuels

Analysis of biofuels and SRF using MVA, CHNS, calorific value, and ash fusion methods with modern LECO analytical instrumentation.

<p><strong>Spatially offset Raman spectroscopy (SORS), provides a powerful and non-destructive approach for identifying materials without opening packages or containers. However, measurement success depends strongly on sample characteristics, container materials, and testing conditions. This webinar presents an experience-based overview of what SORS-enabled Raman spectroscopy can and cannot reliably measure using the Agilent Vaya Raman spectrometer as a representative platform. We will discuss classes of materials that are Raman-inactive or weak, samples prone to fluorescence or low signal, and common container materials that interfere with or block Raman measurements. Practical guidance will be provided on container thickness, color, and composition, as well as when black shielding or ambient light control is required. The session will help users quickly assess feasibility, set realistic expectations, and determine when Raman—or an alternative technique such as FTIR—is the appropriate analytical choice.</strong></p><blockquote><p><strong>Presenter: </strong>Yanqia Wang, PhD (Application Engineer, Molecular Spectroscopy, Agilent Technologies, Inc.)</p><p>Dr. Yanqia Wang started working for Agilent Technologies Inc. as a FTIR application Engineer in 2013, providing pre-&amp;post-sale application support. The products he covers from Bench-top FTIR microscopes to various Mobile FTIR spectrometers. Dr. Wang received his PhD of analytical chemistry from Duke University in 2004, doing dynamic IR spectroscopy research. Then he joined Fitzpatrick Center for Photonics at Duke University, doing Tissue Raman spectrometer instrumentation. Since 2007, Dr. Wang worked for Avery Dennison Corp. as a spectroscopist, providing molecular analytical support to the research &amp; development.</p></blockquote>

Agilent Technologies: Molecular spectroscopy webinars

Seeing Through the Barrier: Practical Limits and Best Practices for Raman Sample, Container, and Test Conditions

Webinar on SORS Raman feasibility with Agilent Vaya. Learn limits, container effects, fluorescence challenges, and when FTIR is the better alternative.

Practical Limits and Best Practices for Raman

<p><strong>UV/VIS spectrometers are traditionally used for well-dissolved solutions measured in cuvettes. However, one of the most common UV/VIS accessories is an integrating sphere. With an integrating sphere, it is possible to measure almost any sample – including opaque solids, powders, gels, and turbid solutions. This webinar will discuss diffuse transmission and reflection UV/VIS measurements including how to perform measurements with Agilent’s Cary 60 UV/VIS Spectrometer and a diffuse reflectance accessory (DRA).</strong></p><blockquote><p><strong>Presenter: </strong>Yanqia Wang, PhD (Application Engineer, Molecular Spectroscopy, Agilent Technologies, Inc.)</p><p>Dr. Yanqia Wang started working for Agilent Technologies Inc. as a FTIR application Engineer in 2013, providing pre-&amp;post-sale application support. The products he covers from Bench-top FTIR microscopes to various Mobile FTIR spectrometers. Dr. Wang received his PhD of analytical chemistry from Duke University in 2004, doing dynamic IR spectroscopy research. Then he joined Fitzpatrick Center for Photonics at Duke University, doing Tissue Raman spectrometer instrumentation. Since 2007, Dr. Wang worked for Avery Dennison Corp. as a spectroscopist, providing molecular analytical support to the research &amp; development.</p></blockquote>

Measuring Diverse Samples with UV/VIS Spectrometers and Integrating Spheres

Webinar will discuss diffuse transmission and reflection UV/VIS measurements including how to perform measurements with Agilent’s Cary 60 UV/VIS Spectrometer

Measuring Diverse Samples with UV/VIS Spectrometers

<p><strong>The precise and accurate measurement of 87Sr/86Sr isotope ratios by quadrupole based ICP-MS presents unique analytical challenges, driven by isobaric interferences, matrix effects, and the need for stable and reproducible operating conditions. &nbsp;Tiple quadrupole ICP-MS (ICP-QQQ) offers effective strategies for addressing these challenges, however method performance is highly dependent on the appropriate selection and optimization of instrumental parameters. &nbsp;In this webinar, we will discuss the practical approaches for simplifying 87Sr/86Sr isotope ratio analysis using the Agilent 8900. &nbsp;The presentation will focus on key method considerations, including reaction cell gas selection, mass‑shift strategies, tuning approaches, and control of instrumental and environmental variables that influence isotopic precision and accuracy. &nbsp;This webinar is intended for users seeking a straightforward, reliable path to high‑quality strontium isotope ratio measurements using Agilent’s 8900 and ICP-QQQ technology.</strong></p><blockquote><p><strong>Presenter:</strong> Jeff Sayen (ICP-MS Application Scientist)</p><p>Jeffrey Sayen s an ICP-MS Application Scientist at Agilent Technologies with over 15 years of experience in analytical chemistry. He specializes in atomic spectroscopy techniques, including ICP-MS, ICP-OES, and Flame AA. Jeffrey is passionate about ICP-MS and enjoys delivering product and application overviews at customer sites, seminars, and industry events. Prior to joining Agilent, he held the position of Senior Field Application Scientist at another major instrument manufacturer, where he focused on analytical methodologies across a range of regulated industries. He holds both undergraduate and graduate degrees in Inorganic Chemistry from Michigan State University.</p></blockquote>

Agilent Technologies: Atomic Spectroscopic webinars

Isotope Ratio made easy: Optimizing Method Conditions in 87Sr/86Sr Ratios with ICP-QQQ

Discover practical ICP-QQQ strategies for accurate 87Sr/86Sr isotope ratio analysis, including reaction gas selection, tuning, and interference control.

Method Conditions in 87Sr/86Sr Ratios with ICP-QQQ

<p><strong>Reliable analytical results depend on robust data validation and quality control practices. This session explores essential QC tools and techniques, including spike recoveries, duplicate analysis, and establishing limits of detection (LOD) and quantification (LOQ). We will discuss practical approaches for troubleshooting and improving confidence in your data. Whether you are new to QC or looking to refine your approach, this webinar offers actionable guidance for ensuring data integrity.</strong></p><blockquote><p><strong>Presenter:</strong> Kristen Pisanko</p></blockquote>

Data Confidence: QC Strategies for Analytical Success

This session explores essential QC tools and techniques, including spike recoveries, duplicate analysis, and establishing limits of detection and quantification

<p><strong>Advanced methodology for enhancing sample throughput through recent advances in Helium KED mode and complementary interference removal techniques.</strong></p><blockquote><p><strong>Presenter:</strong> Bert Woods (Application Scientist, Agilent Technologies, Inc.)</p><p>Joined the Agilent ICP-MS team in 2004, with previous employment in the semiconductor industry with Dominion Semiconductor (IBM/Toshiba) and Micron. Bert is a 1997 Chemistry graduate of Radford University in Virginia and an avid Washington DC Sports fan.</p></blockquote>

Driving higher throughput through innovative QQQ ICP‑MS techniques

Advanced methodology for enhancing sample throughput through recent advances in Helium KED mode and complementary interference removal techniques.

Innovative QQQ ICP‑MS techniques

<p><strong>The switch to renewable energy sources and the need for efficient and cost-effective energy storage technologies, has seen increased global demands for lithium-ion batteries and raw materials. Elemental concentration and impurities of these products are important to know, as the elemental composition can impact the performance and lifespan of a battery. Join us to see how a smart ICP-OES and an auto-dilutor can be used together to increase productivity, sustainability, and accuracy of your analysis of these challenging sample matrices.</strong></p><blockquote><p><strong>Presenter:</strong> Sima Singha, PhD (ICP-OES Application Scientist, Atomic Spectroscopy, Agilent Technologies, Inc.)</p><p>Sima has over fifteen years of hands on experience as an applications scientist in the field of atomic spectroscopy. Before joining Agilent in 2017, managed an agricultural chemistry laboratory for the analysis of water, soil, and plant tissue digests using ICP-OES for various EPA methods. She received a Ph.D. degree in Chemistry from the University of Illinois at Chicago with numerous peer-reviewed publications.</p></blockquote>

Enhancing Lithium-Ion Battery Production: Automated and Sustainable Elemental Analysis Using an ICP-OES

See how smart ICP-OES and auto-dilutor can be used together to increase productivity, sustainability, and accuracy of challenging sample matrices.

Lithium-Ion Battery Elemental Analysis Using ICP-OES

<p><strong>This webinar will discuss innovations that reduce routine maintenance and simplifying sample analysis challenges, while leveraging enhancements to increase ICP-MS throughput and free up your time. &nbsp;Streamlining your lab Workflow will ensure sample turnaround is optimized and results are reported with confidence.</strong></p><blockquote><p><strong>Presenter:</strong> L. Craig Jones (ICP-MS Application Scientist, Agilent Technologies, Inc.)</p><p>Craig has been with Agilent for over 15 years as an ICP-MS applications scientist. He has been involved with multiple type of applications for ICP-MS, including environmental, pharmaceutical, semiconductor, geologic, and clinical analyses, to name a few. Previous to Agilent he worked in an environmental lab performing analysis and supervising both the inorganic and organic sections of the laboratory. In his spare time, Craig enjoys volunteering at the local marine science center, mountain biking, hiking, and relaxing at the beach. Craig obtained a Bachelor of Science degree in chemistry from Fort Lewis College in Durango, CO.</p></blockquote>

Simplify ICP-MS Maintenance while Improving Sample Throughput in your Laboratory

This webinar will discuss innovations that reduce routine maintenance and simplifying sample analysis challenges

Related content

UA-DMSPE Determination of Cu(II), Cd(II), and As(III) in Water, Soil, and Tomato Using a Novel Thiosemicarbazone Sorbent: ICP-OES Performance with DFT Characterization and Antimicrobial-Target Docking

Webinars LabRulezICPMS Week 13/2026

Fitness for the intended use of analytical equipment and systems