<p><strong>In the study published in the </strong><i><strong>Analytica Chimica Acta</strong></i><strong>, researchers from the Federal Institute for Materials Research and Testing, Berlin, Germany introduced a novel autosampler extension for slurry sample analysis in </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?instrumentationItems=85&amp;search=Graphite+Furnace-Atomic+Absorption+Spectrometry"><strong>Graphite Furnace-Atomic Absorption Spectrometry</strong></a><strong> (</strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?instrumentationItems=85&amp;search=GF-AAS"><strong>GF-AAS</strong></a><strong>), addressing challenges in trace element analysis of solid samples like soils and microplastics.</strong></p><p>The system enhances suspension stability using a stirring device, closed vessels to prevent evaporation and contamination, and a cooling unit to minimize solvent and analyte losses. Validation with cadmium analysis in soil and ABS samples demonstrated recovery rates of 94% ± 13% and 104% ± 11%, respectively, highlighting its reliability and accuracy. This innovation streamlines GF-AAS processes, reducing preparation time and error, making it a versatile tool for environmental and polymer sample monitoring.</p><blockquote><h4><strong>The original article</strong></h4></blockquote><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613"><span><strong>Development of a fully automated slurry sampling introduction system for GF-AAS and its application for the determination of cadmium in different matrices</strong></span></a></h4><p>Charlie Tobias, Lennart Gehrenkemper, Thomas Bernstein, Sven Schlau, Fabian Simon, Mathias Röllig, Björn Meermann, Marcus von der Au</p><p>Analytica Chimica Acta, Volume 1335, 2025, 343460</p><p>https://doi.org/10.1016/j.aca.2024.343460</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 class="cke-user_style-important"><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><h3><strong>Highlights</strong></h3><ul><li><span>Development of a novel autosampler extension for automated slurry measurements in GF-AAS to increase sample throughput.</span></li><li><span>Automated stirring to stabilize suspensions, eliminating the need for surfactants and reducing contamination risk.</span></li><li><span>Minimized analytical errors from evaporation using closed, cooled sample vessels.</span></li><li><span>Compatibility with organic solvents due to enhanced system design.</span></li><li><span>Demonstrated usability by successfully analyzing two contrasting reference materials: a polymer and a soil.</span></li></ul><h3><span lang="EN"><strong>Abstract</strong></span></h3><h5><span lang="EN"><strong>Background</strong></span></h5><p><span lang="EN">Graphite Furnace-Atomic Absorption Spectrometry (GF-AAS) is a powerful technique for trace element analysis, offering high sensitivity and precision. However, its effectiveness is limited by sample preparation challenges for solid samples like soils and microplastics. Traditional methods include sample preparation, such as digestion, which is time-consuming and involves reagents, like acids, contributing to measurement uncertainty and higher carbon footprints. Slurry sampling allows direct analysis of suspensions, offering a more efficient alternative. However, maintaining suspension stability is challenging, requiring robust autosampler systems to streamline the process and enhance analytical performance.</span></p><h5><span lang="EN"><strong>Results</strong></span></h5><p><span lang="EN">We present a novel autosampler extension for slurry sample introduction into GF-AAS. This system ensures suspension stability with a stirring device and closed vessels to prevent evaporation and contamination, incorporating a cooling unit to reduce solvent and analyte losses. It installs and removes in minutes without additional connections. Validation with cadmium analysis in BAM-U110 (Soil) and BAM-H010 (ABS) showed high reliability. For BAM-U110 (Soil), we achieved recovery rates of 94 %&nbsp;±&nbsp;13 % in water suspension. The recovery rate for BAM-H010 (ABS) was 104 %&nbsp;±&nbsp;11 % in acetonitrile suspension. These results demonstrate the system's robustness, versatility, and accuracy for different matrices.</span></p><h5><span lang="EN"><strong>Significance</strong></span></h5><p><span lang="EN">The autosampler extension helps solve key problems in trace element analysis of solid samples, making the process faster and more accurate. It works well with complex materials, making it useful for areas like microplastic or nanoparticle analysis. This improvement also helps meet regulations for monitoring environmental and polymer samples, offering a reliable and flexible tool for high-throughput analysis with fewer errors.</span></p><h3><strong>2. Materials and methods</strong></h3><h4><strong>2.1. Materials, reagents and standards</strong></h4><p>For the calibration, a single element cadmium standard (<i>ρ</i>(<i>Cd)&nbsp;=</i>&nbsp;1000&nbsp;mg&nbsp;L<sup>−1</sup>, Certipur, Merck KGaA, Germany) was used. For the dilution steps, type I reagent grade water obtained from a Milli-Q-System was used (&gt;18.2&nbsp;MΩ&nbsp;cm; Merck Millipore, Germany). To stabilize the ionic standard, double sub-boiled nitric acid (<i>ω</i>(HNO<sub>3</sub>)&nbsp;=&nbsp;65 %) was used. As modifier for the determination of Cd via high resolution-continuum source-graphite furnace atomic absorption spectrometry (HR–CS–GFAAS), palladium, and magnesium ICP-MS standard solutions were used (<i>ρ</i>(Mg)&nbsp;=&nbsp;10000&nbsp;mg&nbsp;L<sup>−1</sup>; <i>ρ</i>(Pd)&nbsp;=&nbsp;10000&nbsp;mg&nbsp;L<sup>−1</sup>, Certipur, Merck KGaA, Germany). To characterize the newly developed autosampler system, two different reference materials were used: BAM-H010 (acrylonitrile butadiene styrene (ABS), granulate, Federal Institute for Materials Research and Testing (BAM), Germany) and BAM-U110 (contaminated soil, BAM). To obtain small plastic particles for the ABS material, two steps (500&nbsp;μm and 150&nbsp;μm sieves) were carried out with a centrifugal mill (ZM 200, Retsch GmbH, Germany) under liquid nitrogen. As sample vials, HPLC vials with PTFE/silicon septa were used. The organic solvents used (methanol (MeOH, LC-MS grade, 99.95 %), ethanol (EtOH, for analysis, 99.9 %), acetonitrile (ACN, LC-MS grade, 99.95 %)) were obtained from Th. Geyer (CHEMSOLUTE, Th. Geyer GmbH &amp; Co. KG., Germany).</p><h4><strong>2.2. Development and characteristics of the slurry autosampler</strong></h4><p>The prototype of our newly developed autosampler system, the Automatized Slurry Analyzer (ASA; patent pending: DE10 2024&nbsp;108&nbsp;026.4) is presented in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613#fig1"><span>Fig. 1</span></a>.</p><figure class="image"><img style="aspect-ratio:1721/2217;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytica_Chimica_Acta_Analytica_Chimica_Acta_Volume_1335_2025_343460_Fig_1_Schematic_drawing_of_the_newly_developed_autosampler_extension_unit_for_a_high_throughput_analysis_of_e74d7711e8.jpg" alt="Analytica Chimica Acta, Volume 1335, 2025, 343460: Fig. 1. Schematic drawing of the newly developed autosampler extension unit for a high throughput analysis of slurry samples. a: PVC sample turning table with silicon inlayer, b: Sample cooling unit: Aluminum plate with water inlet and outlet, c: Light sensor with control unit, d: Motors with power modulator unit, e: Autosampler with trigger. a-e are modified parts while the body of the autosampler (non-marked part) remained unchanged. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Analytica_Chimica_Acta_Analytica_Chimica_Acta_Volume_1335_2025_343460_Fig_1_Schematic_drawing_of_the_newly_developed_autosampler_extension_unit_for_a_high_throughput_analysis_of_e74d7711e8.jpg 121w," sizes="100vw" width="1721" height="2217"></figure><p>The system is particularly designed for the stabilization of suspensions to allow a reproducible analysis of slurry samples. For this purpose, four brushless motors (Type 0703B 15000&nbsp;KV, Racerstar Electronic Technology Co., Ltd., China) are utilized as magnetic stirrers by gluing neodymium magnets (diameter 3&nbsp;mm, height 1&nbsp;mm) on top of them. The modified stirrer units are placed under the positions where the sample is taken by the injector of the autosampler. To protect stirrer units from possible spills without reducing the magnetic field, the motors are covered by a thin glass-reinforced epoxy laminate layer (FR-4). An ATtiny85-S20U microcontroller (Microchip Technology Corp., USA) is used to define the timings and control the brushless motors. To avoid contamination nickel wire pieces (99.2 %, Evek GmbH, Germany) of different diameters (1&nbsp;mm and 2&nbsp;mm) and lengths (4 mm–9&nbsp;mm) are used as stirring bars. For easy usage, the autosampler is designed to hold standard 1.5&nbsp;mL HPLC vials. To keep these vials stable and avoid the lifting of the vessels the sample turning table was designed in three layers – PVC/silicon/PVC. The two PVC layers hold the vials in position while the silicon layers prevent them from being lifted after the sample uptake of the needle. As a further modification, a hypodermic needle was installed onto the autosampler to allow the septum of the used HPLC vials to be penetrated and keep the low dead volume within the system. Further, by cooling the aluminum autosampler and using closed HPLC vials the possible loss of solvents is drastically reduced and the time for measurements can be extended without the manual closing of vials with <i>e.g.</i>, parafilm as reported by Metzger et al. [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613#bib13"><span>13</span></a>] As a chiller, a Cool-Care 8–16 unit (Van Der Heijden Labortechnik GmbH, Germany, temperature range 5&nbsp;°C–25&nbsp;°C) was used. The implementation of a photoelectric sensor enables precise initiation of the motors, thereby minimizing idle rotation time to prolong motor lifespan and prevent overheating. The sensor is connected to an Arduino NANO (ATMEGA328p) as a control unit between the motor controller and the sensor. The system is designed in a way that it can be changed within a few minutes back to the standard AAS autosampler. This allows a fast, easy-to-use, and reproducible way to analyze slurry samples. The developed autosampler can also be used without the stirring, to avoid the evaporation of solvents and thus, increase the accuracy of the utilized analysis method. In addition, the incorporated fluidic system can be also used for heating, <i>e.g.</i>, trigger reaction before the sample is taken. This wide range of possibilities in a highly automated fashion makes this autosampler perfectly suited for routine measurements.</p><h4><strong>2.3. Instrumental analysis</strong></h4><p>The determination of cadmium was performed on an Analytik Jena contrAA 800 HR–CS–GFAAS system (Analytik Jena GmbH, Germany). Pyrolytically coated graphite tubes with PIN platform (Analytik Jena) were used. The temperature program applied as well as the injection sequence were adapted from Borges et al. [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613#bib14"><span>14</span></a>] Accordingly, the utilized injection loop consisted of 10&nbsp;μL of ultra-pure water, 25&nbsp;μL sample, and 5&nbsp;μL of the modifier mixture (<i>ρ</i>(Pd)&nbsp;=&nbsp;1.0&nbsp;g&nbsp;L<sup>−1</sup>, <i>ρ</i>(Mg)&nbsp;=&nbsp;0.6&nbsp;g&nbsp;L<sup>−1</sup>). The GFAAS temperature program, which was used for all presented data throughout this study, is summarized in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613#tbl1"><span>Table 1</span></a>.</p><figure class="image"><img style="aspect-ratio:1388/883;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Analytica_Chimica_Acta_Analytica_Chimica_Acta_Volume_1335_2025_343460_Table_1_Temperature_program_used_for_the_determination_of_cadmium_in_soil_as_well_as_ABS_slurries_via_HR_CS_GFAAS_3ebf526ba0.jpg" alt="Analytica Chimica Acta, Volume 1335, 2025, 343460: Table 1. Temperature program used for the determination of cadmium in soil as well as ABS slurries via HR–CS–GFAAS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Analytica_Chimica_Acta_Analytica_Chimica_Acta_Volume_1335_2025_343460_Table_1_Temperature_program_used_for_the_determination_of_cadmium_in_soil_as_well_as_ABS_slurries_via_HR_CS_GFAAS_3ebf526ba0.jpg 245w," sizes="100vw" width="1388" height="883"></figure><h4><strong>2.4. Sample cooling unit - temperature profile characterization</strong></h4><p>For the characterization of the temperature profile of the sample cooling unit (see <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0003267024012613#fig1"><span>Fig. 1</span></a> b), an infrared camera (VarioCam HR, InfraTec GmbH Infrarotsensorik und Messtechnik, Germany) with a 30&nbsp;mm lens was used. This has a focal plane array (FPA) with an uncooled microbolometer detector consisting of 640 x 480 pixels. The camera covers a spectral range from 7.5&nbsp;μm to 14&nbsp;μm. Measurements were taken in the calibrated temperature range from −40&nbsp;°C to +120&nbsp;°C. The noise equivalent temperature difference (NETD) is 50&nbsp;mK at 30&nbsp;°C. The measurement uncertainty is ±1.5&nbsp;K or ±2 % for temperatures above 100&nbsp;°C. The data was recorded at 2&nbsp;Hz and analyzed using the IRBIS Professional 3.1.80 thermography software.</p><p>The thermograms were recorded with a lateral geometric resolution of 0.5&nbsp;mm at 65&nbsp;cm between the IR camera and the measurement object.</p><p>For the measurement of the reflective aluminum surface, emissivity stickers from Testo SE &amp; Co. KGaA with a defined emissivity (<i>ɛ</i>) of 0.95 were used to measure the aluminum reflective surface as reference points.</p><h3><strong>4. Conclusion and outlook</strong></h3><p>The presented newly developed autosampler extension for GF-AAS is a promising tool for streamlining arduous and error-prone sample preparation, particularly the digestion of solid samples. This extension offers a cost-effective alternative for the precise, accurate, economical, and rapid determination of metal contents in solid samples. The system's flexibility and adaptability are evident within the two presented matrices, as it can be easily tailored to different matrices by simply changing the solvent. Furthermore, the system is designed to facilitate temperature control of samples and employs closed vessels, which are readily available from various vendors, enabling easy use of organic solvents. This adaptation of the AAS enables access to emerging markets, such as the investigation of electronic scrap, which is challenging to address using conventional techniques due to its complex composition of glass, polymers, and various other matrix components that are difficult to digest. Additionally, this setup could enable further extensions in the analysis of organic fluorine in the form of adsorbable organic fluorine (AOF) using activated carbon suspensions in the future This capability enables comparison and complementary investigations in the increasingly concerning field of emerging pollutants, specifically per- and polyfluorinated substances (PFAS).</p>

Development of a fully automated slurry sampling introduction system for GF-AAS and its application for the determination of cadmium in different matrices

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 50, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications by <strong>Agilent Technologies</strong>, <strong>Shimadzu</strong>, and <strong>Thermo Fisher Scientific</strong>!</p><h4><strong>1. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003165_tea_icp_ms_icap_msx_water_bureau_of_indian_standards_an003165_na_en_891819730a.pdf"><strong>Multielement analysis of drinking water samples as per regulations from the Bureau of Indian Standards using ICP-MS</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>To demonstrate the performance of the Thermo Scientific™ iCAP™ MSX ICP-MS for analysis of a variety of water samples, including surface waters, groundwaters, and drinking waters, following the Indian Standards’ specifications.</p><p><strong>Introduction</strong></p><p>The quality of drinking water refers to its safety, purity, and suitability for human consumption. It is essential that drinking water meets specific standards and guidelines to ensure it does not pose any health risks to individuals who consume it. Drinking waters are regularly monitored for the content of different elements, in particular highly toxic heavy metals such as arsenic, cadmium, mercury, and lead, which are severely detrimental for human and environmental health. The regulations applicable for testing and assuring water quality in India are as follows:</p><ul><li>IS 10500:2012 Drinking water - Specification</li><li>IS 13428:2005 Packaged Natural Mineral Water - Specification</li><li>IS 14543:2004 Packaged Drinking Water - Specification</li></ul><p>These regulations specify stringent maximum contaminant levels (MCLs) of different toxic and some nutritional elements in drinking water samples, as listed in Table 1.</p><p>Drinking water samples must be regularly monitored to ensure that they comply with these regulations. Inductively coupled plasma mass spectrometry (ICP-MS) is a powerful technique for analyzing a wide range of analytes in given samples, providing superior sensitivity that enables the reliable detection of very low concentrations of analytes in water samples. Additionally, a high robustness of the ICP-MS system is also a desired feature because it helps analytical testing laboratories, carrying out analysis of different drinking water samples regularly, to cope with a high sample load and deliver accurate results on time. While drinking water samples are usually low in Total Dissolved Solids (TDS) content, different drinking waters may be fortified with varying amounts of nutrient elements to increase their nutritional values. When analyzing a mix of such different samples, Argon Gas Dilution (AGD) offers a comprehensive solution for effective handling of a variety of sample types including those with high TDS in one analytical run. In addition, AGD helps to avoid off-line liquid sample dilution, which in turn saves associated labor and cost, and minimizes the risk of contamination, while still delivering consistent results with minimum matrix effects.</p><p>This application note describes the analysis of different drinking water samples using the iCAP MSX ICP-MS operated with AGD as a tool to facilitate sample dilution directly during sample introduction.</p><p><strong>Conclusion</strong></p><p>This application note highlights the ease and effectiveness of using the iCAP MSX ICP-MS in combination with the iSC-65 Autosampler for routine monitoring of water quality in terms of elemental composition. The method described involves a 5-fold dilution of all samples using AGD (Argon Gas Dilution) for the sensitive and reliable elemental analysis across different drinking water samples. By utilizing this approach, accurate and precise results can be obtained for routine water quality monitoring. The instrument performance exceeds the requirements of analytical testing laboratories tasked with the analysis of different water and other environmental samples. The main conclusions are summarized below.</p><ul><li>The use of Argon Gas Dilution, the availability of different dilution levels, and accomplishing dilution automatically inside the instrument with no additional sample handling required reduces time and effort spent in preparing samples and helps achieve seamless measurements of drinking water samples. The AGD features are easy to set up and operate and are fully integrated and supported in the Qtegra ISDS Software.</li><li>Excellent linearity was achieved for all analytes due to the large linear dynamic range of the iCAP MSX ICP-MS, which allows for precise determination of major elements and trace elements with low and high concentrations in one measurement without further sample dilution. The LODs of the different analytes demonstrate that the instrument easily meets and exceeds the sensitivity requirements specified in local regulations pertaining to water analysis.</li><li>Robust and stable analytical performance with exceptional signal stability was demonstrated over a 12-hour uninterrupted sequence.</li></ul><h4><strong>2. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/a421_0b334306a3.pdf"><strong>Infrared Spectra of Polyvinyl Chloride</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><p>PVC can be qualitatively determined by checking specific peaks, and the presence of PVC can be confirmed even when the amount of additive is very large.</p><p>Since PVC has few peaks in the fingerprint region, it is easy to qualitatively identify the additives contained in PVC.</p><p><strong>Introduction</strong></p><p>Polyvinyl chloride (PVC) is a synthetic thermoplastic polymer with excellent water resistance, acid resistance, alkali resistance, electrical nonconductivity, and flame resistance, and is used in a wide variety of applications, including film, synthetic leather, fibers, wire coating, rope, and toys, to name a few. Various types of additives such as plasticizers, stabilizers, and fillers can be added to this PVC resin, so that the final PVC product can be either rigid or soft, depending on the amount of plasticizer added. Various types of plasticizers, for example di-2-ethyl hexyl phthalate (dioctyl phthalate), have been added to PVC at concentrations higher than 10 % to produce soft PVC. Since PVC displays relatively weak infrared absorption, PVC that contains a large amount of phthalic ester is strongly affected by that substance, displaying an infrared spectrum which is more similar in shape to the phthalic ester than PVC. For this reason, many soft PVC samples have shown the similar type of infrared spectrum as the phthalic ester. However, due to concerns about the adverse health affects of these phthalic ester plasticizers, including their carcinogenicity, their application and content levels are regulated. Consequently, soft PVC containing various types of plasticizers instead of those containing phthalic esters are currently being marketed.</p><p>Since soft PVC containing a large amount of plasticizer displays an infrared spectrum that is greatly affected by the plasticizer, a variety of infrared spectral shapes are seen with soft PVC. Here we introduce and discuss the infrared spectra of this type of soft PVC.</p><p><strong>Conclusion</strong></p><p>In this application, we analyzed PVC containing various plasticizers using the ATR method and demonstrated that the C-Cl stretching vibration near 610 cm<sup>-1</sup> is important for identifying PVC. By checking the infrared spectrum using FTIR, it is possible to easily perform qualitative analysis of plasticizers used in soft PVC.</p><h4><strong>3. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_uv_vis_nir_spectroscopy_band_gap_analysis_semiconducting_materials_5994_7854en_agilent_0ab9ab5fa9.pdf"><strong>Determination of Band Gap in Metal Oxides Using UV-Vis Spectroscopy</strong></a></h4><ul><li>Application</li></ul><p><strong>Introduction</strong></p><p>The band gap of semiconducting materials plays a critical role in shaping their performance across various electronic and optoelectronic applications. UV-Vis spectroscopy stands as an efficient method for evaluating these band gaps, providing insights into the electronic structure of materials. This understanding is pivotal in refining materials used in fields such as photocatalysis and solar energy conversion.<sup>1</sup></p><p>UV-Vis spectroscopy measures the absorbance or reflectance of materials over a range of wavelengths. When the energy of incident photons matches or exceeds the band gap energy, electrons transition from the valence band to the conduction band, leading to distinctive absorption characteristics.</p><p>This application note investigates band gap analysis using UV-Vis spectroscopy, and presents a detailed methodology for precise and dependable measurements by leveraging the capabilities of the Agilent Cary 5000 UV-Vis-NIR spectrophotometer and Agilent Cary WinUV software.</p><p><strong>Conclusion</strong></p><p>The findings of this study highlight the efficacy of using the Agilent Cary 5000 UV-Vis-NIR spectrophotometer combined with Agilent Cary WinUV software for accurate and reliable band gap analysis of semiconducting materials. The integration of the Praying Mantis diffuse reflectance accessory ensured reproducible sample positioning and measurements. The use of the first derivative of wavelength scans, facilitated by the software's built-in calculator function, proved to be a streamlined and precise method for determining band gaps. The band gap values obtained were consistent with established literature, confirming the validity of this approach. This methodology offers a robust and efficient tool for researchers working in fields such as photocatalysis and solar energy conversion, enabling precise characterization of electronic structures in various materials.</p>

News from LabRulezICPMS Library - Week 50, 2024

<p><strong>Dear LabRulez portal users, customers and friends,</strong></p><p>As the year draws to a close, we would like to thank you for your trust, support and cooperation in helping us to make 2024 another successful year and to confirm our position in the complex online world.</p><ul><li><strong>Number of users: + 311 500</strong></li><li><strong>Page views: + 866 700</strong></li><li><strong>Google views: + 21 338 000</strong></li><li><strong>Number of opened PDFs: + 1 000 000</strong></li></ul><p>This year has been special for us:</p><ul><li><strong>We have expanded the amount of content and companies/institutions on our Czech and Global ENG portals:</strong><ul><li><div><strong>+ 1 100 </strong><a style="text-decoration:none!important;" target="_blank" rel="noopener noreferrer" href="https://labrulezlinks.seurl.cz/email-audience/link?acc=123254b4-60ba-11eb-abc8-ac1f6bc402ab&amp;stat=fc61f5bbc6404c10b69e0526dce56695&amp;link=365f29c05f59f09b27a7d9401c64cdb8" 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LabRulez portals in 2024 and our plans for 2025

<p><strong>In the week of January 6, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry.</strong></p><p><strong>We bring you also a selection of the TOP 10 most requested webinars in the field of atomic and molecular spectroscopy and spectrometry on LabRuleICPMS portals in 2024.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h4><strong>Week 2/2025</strong></h4><h5><strong>1. Agilent Technologies: Intelligent Analysis of Wastewaters using an Agilent ICP-MS with Integrated Autodilutor</strong></h5><div><div><ul><li><div>Tu, 7.1.2025 09:30 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4542">Registration</a></div></li></ul></div><p>Come to learn about how the analysis of wastewater made easy with the new Agilent ICPMS integrated autodilutor.</p></div><h5><strong>2.&nbsp;Anton Paar: Indentation Optimization - Soft Materials</strong></h5><div><div><ul><li><div>Tu, 7.1.2025 18:00</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4375">Registration</a></div></li></ul></div><p>This webinar focuses on the mechanical behavior of soft materials such as tissues, gels, and polymers, and provides practical strategies for obtaining high-quality indentation data from these materials.</p></div><h5><strong>3.&nbsp;Anton Paar: Discover Quality Control with a Refractometer in the Chemical Industry</strong></h5><div><div><ul><li><div>Fr, 10.1.2025 09:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4577">Registration</a></div></li></ul></div><p>In this webinar, Anton Paar will showcase the significant benefits of using a refractometer for quality control in chemical industry laboratories.</p></div><h4><strong>TOP 10 in 2024</strong></h4><h5><strong>1. Agilent Technologies: Ready to replace your 7700? The latest 7850 or 7900 will exceed your expectations! Part 1</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Tu, 28.3.2023</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2481">Registration</a></div></li></ul></div><p>Join us in this two-part webinar series to find out what the new generations of Agilent single quadrupole systems: 7850 ICPMS, and 7900 ICPMS have to offer.</p></div><h5><strong>2.&nbsp;Agilent Technologies: Winter Plasma Conference 2024 Highlights on Agilent ICP-OES and ICP-MS Applications: Part 2</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Fr, 2.2.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3142">Registration</a></div></li></ul></div><p>New and exciting instrumentations and applications in the atomic spectroscopy area.</p></div><h5><strong>3.&nbsp;Agilent Technologies: Minimize Carry Over and Contamination on Your Agilent ICP-MS</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Tu, 22.8.2023</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2788">Registration</a></div></li></ul></div><p>Techniques and tools for improve wash out of “sticky” elements, such as B, Tl, and Hg, on an Agilent ICP-MS will be discussed.</p></div><h5><strong>4.&nbsp;Agilent Technologies: ICP Expert How To: What is it and How to set up an Advanced Valve System (AVS) for ICP-OES</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Fr, 12.5.2023</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2567">Registration</a></div></li></ul></div><p>This presentation will discuss the different types of interferences present in ICP and how to correct for them.</p></div><h5><strong>5.&nbsp;Thermo Fisher Scientific: How to use Inter Element Correction (IEC) to Overcome Interferences in ICP-OES</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place We, 4.12.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4197">Registration</a></div></li></ul></div><p>How you can deal with complex spectral interferences on ICP-OES by using Inter Element Correction (IEC) in an easy and simple way.</p></div><h5><strong>6.&nbsp;PerkinElmer: Semiconductor Specialty Gas Analysis Using GDI-ICP-MS</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Th, 27.6.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4046">Registration</a></div></li></ul></div><p>You will learn about an alternative sample prep method using a gas exchange device.</p></div><h5><strong>7.&nbsp;Agilent Technologies: How to Minimize Contamination and Carry Over Issues on ICP-MS</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Su, 1.1.2023</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3832">Registration</a></div></li></ul></div><p>Sources of common lab contaminants in ICP-MS and methods used for their elimination.</p></div><h5><strong>8.&nbsp;Agilent Technologies: Agilent M Lens for ICP-MS and the Semiconductor Industry</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Th, 8.8.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3907">Registration</a></div></li></ul></div><p>Agilent M Lens for ICP-MS and the Semiconductor Industry</p></div><h5><strong>9.&nbsp;Agilent Technologies: Direct Elemental Analysis of Edible Oils Using an Agilent 5800 ICP-OES</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Th, 11.7.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3898">Registration</a></div></li></ul></div><p>Direct Elemental Analysis of Edible Oils Using an Agilent 5800 ICP-OES</p></div><h5><strong>10.&nbsp;Agilent Technologies: Troubleshooting Tips and Tricks in Single Quad and Triple Quad ICP-MS</strong></h5><div><div><ul><li><div><span style="color:#D92B04;">RECORD</span> | Already taken place Fr, 1.3.2024</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3143">Registration</a></div></li></ul></div><p>Most common tips and tricks on troubleshooting Agilent ICPMS, both single quad and triple quad.</p></div>

Webinars LabRulezICPMS Week 2/2025 + TOP 10 in 2024

<p><strong>The goal of this study is to address the limitations of traditional NMR methods in measuring the dissociation constants (pKa) of molecules, especially for polymers, biomolecules, and inorganic species that lack favorable pH-dependent NMR properties. Existing methods rely on nonlinear fitting of chemical shifts across a pH range, which often fails for complex or poorly resolved spectra. This study presents an innovative approach to determine pKa values and acidic species concentrations by quantifying the removal of acidic protons along a concentration gradient of an organic base in a single, automated ^1H chemical shift imaging experiment. The method avoids the need for direct observation of analyte resonances, bypasses spectral overlap challenges, and provides a simpler, more reliable alternative to nonlinear fitting routines.</strong></p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c03596"><strong>Determination of the pKa and Concentration of NMR-Invisible Molecules and Sites Using NMR Spectroscopy</strong></a></h4><p>Haider Hussain, Yaroslav Z. Khimyak, Matthew Wallace</p><p>Anal. Chem. 2024, 96, 50, 19858–19862</p><p><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c03596">https://doi.org/10.1021/acs.analchem.4c03596</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 class="cke-user_style-important"><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><h3><strong>Abstract</strong></h3><p>NMR spectroscopy is a very powerful tool for measuring the dissociation constants (p<i>K</i><sub>a</sub>) of molecules, requiring smaller quantities of samples of lower purity relative to potentiometric or conductometric methods. However, current approaches are generally limited to those molecules possessing favorable pH-dependent NMR properties. Typically, a series of 1D experiments at varying pH are performed, and the p<i>K</i><sub>a</sub> is obtained by fitting the observed chemical shift of the analyte as a function of pH using nonlinear routines. However, the majority of polymers, biomolecules, and inorganic species do not present favorable NMR resonances. Either the resonances are not observable or too broad, or the unambiguous interpretation of the NMR data is impossible without resorting to complex 2D experiments due to spectral overlap. To overcome these fundamental limitations, we present a method to obtain the p<i>K</i><sub>a</sub> values and concentrations of acidic species without their direct observation by NMR. We instead determine the quantity of acidic protons removed from the species along a concentration gradient of an organic base in a single <sup>1</sup>H chemical shift imaging experiment that can be run under automation. The p<i>K</i><sub>a</sub> values are determined via simple linear plots, avoiding complex and potentially unreliable nonlinear fitting routines.</p><h3><strong>Introduction</strong></h3><p>The acid dissociation constant, <i>K</i><sub>a</sub>, is a fundamental property which can be used to predict whether a molecule or ion will be protonated or deprotonated under different conditions. <a href="javascript:void(0);">(1)</a> <i>K</i><sub>a</sub>, typically represented by its negative logarithm p<i>K</i><sub>a</sub>, attracts significant interest in the areas of food science, pharmaceutical chemistry, and organic synthesis among other areas. <a href="javascript:void(0);">(2)</a> In drug discovery, p<i>K</i><sub>a</sub> values are used to predict drug–target interactions and drug solubility. <a href="javascript:void(0);">(3)</a> In materials science, the p<i>K</i><sub>a</sub> of polymers provides information about their self-assembly and complexation properties. For example, an understanding of the p<i>K</i><sub>a</sub> value of nucleic acid–polymer complexes is needed to prepare stable nucleic acids for therapeutic use. <a href="javascript:void(0);">(4)</a> Additionally, inorganic ions such as phosphorus or nitrogen species play an important role in biological systems while proteins exhibit a pH-dependent charge which determines their solubility, stability, and separation properties. <a href="javascript:void(0);">(5)</a></p><p>NMR spectroscopy is a valuable technique to measure p<i>K</i><sub>a</sub> as it offers the advantages of studying analytes using small volumes with equipment that is available in most research institutions. <a href="javascript:void(0);">(6)</a> Furthermore, we demonstrated how, when the analyte can be observed by <sup>1</sup>H NMR, p<i>K</i><sub>a</sub> can be determined using a combination of pH gradients and 2D chemical shift imaging (CSI). <a href="javascript:void(0);">(7)</a> This allows for a “single shot” determination of p<i>K</i><sub>a</sub> in one NMR experiment, saving material and time. <a href="javascript:void(0);">(7−9)</a> However, a restriction on most NMR methods is that they require the analyte to display chemical shifts which can be clearly observed to change as a function of pH, or else require the concentration of analyte to be known. <a href="javascript:void(0);">(10)</a> However, not all systems of interest can be characterized in this manner. A striking case is polymeric systems with molecular weights above 20,000 g/mol that typically display very broad resonances. <a href="javascript:void(0);">(11)</a> Additionally, even for systems that have a lower molecular weight, given enough complexity, the spectral overlap will make the resolution of separate resonances impractical. The ChEMBL database displays 1,913,280 small molecules that are preclinical, of which approximately 20% have a molecular weight over 600 g/mol and are therefore likely to exhibit overalpping resonances on a standard <sup>1</sup>H NMR spectrum. <a href="javascript:void(0);">(12)</a> Moreover, the BMRB (Biological Magnetic Resonance) databank contains more than 15,000 entries regarding peptides and proteins that can be investigated using solution-state NMR, but for which 2D NMR experiments and isotopic labeling would be needed in many cases to assess their pH-dependent behavior. <a href="javascript:void(0);">(13)</a> Such “NMR restricted” molecules and ions are of great interest in a variety of fields and would otherwise benefit from p<i>K</i><sub>a</sub> determination by NMR.</p><p>Here, we present a more general NMR method that has the capacity to encompass these restricted molecules, expanding the range of molecules that can be probed by NMR, hence providing avenues for exploring their p<i>K</i><sub>a</sub>-associated activity that was not previously possible while also enabling the analysis of species whose toxicity, volatility, or limited availability may preclude the use of conventional potentiometric titrations. The new method determines the p<i>K</i><sub>a</sub> of molecules with no or poorly observable NMR resonances by measuring the quantity of protons transferred to a basic indicator along pH gradients in 5 mm NMR tubes. We demonstrate the measurement of the p<i>K</i><sub>a</sub> values of a range of small organic and inorganic molecules in excellent agreement with the literature values. We apply our method on complex systems to determine the effective p<i>K</i><sub>a</sub> of poly(acrylic acid) and estimate the isoelectronic point, p<i>I</i>, of wheat germ agglutinin.</p><figure class="image"><img style="aspect-ratio:833/1144;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ANALCH_2_923c7c909f.jpe" alt="Figure 1. (a) A concentration gradient of a basic indicator is established in an NMR tube, allowing measurement of the quantity of protons transferred from acid to base as a function of pH. (b) Plot of 1/κ versus 10–pH for 60 mM H3PO4 (left) and plot of pH (black circle) and Cindicator (red diamond) versus height from tube base (right). (c) Plot of 1/κ versus 10–pH for 10 mM boric acid (left) and plot of pH and Cindicator versus height from tube base (right)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ANALCH_2_923c7c909f.jpe 113w," sizes="100vw" width="833" height="1144"></figure><h3><strong>Experimental Section</strong></h3><h4><strong>NMR</strong></h4><p>Experiments were performed at 298 ± 0.5 K on a Bruker Avance III 500 MHz spectrometer operating at 500.21 MHz for <sup>1</sup>H. CSI experiments were performed using a gradient phase encoding sequence based on that of Trigo-Mouriño et al. <a href="javascript:void(0);">(14)</a> but incorporating double echo excitation sculpting for water suppression (Bruker library zgesgp), with the ramped gradient pulse included at the end of the water suppression block. A balancing delay to compensate for this gradient pulse and recovery delay (200 μs) were added to the last echo of the water suppression block, while a spoil gradient pulse (1 ms, 25 G/cm) was inserted at the end of the relaxation period (2.0 s) to destroy any remaining transverse magnetization (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c03596/suppl_file/ac4c03596_si_002.pdf">Section S14</a>). The signal acquisition time was 2.04 s with a sweep width of 16 ppm. The encoding gradient pulse (172 μs, smoothed square) was varied between −18.8 and 18.8 G/cm in 64 steps. Here, 4 ms Gaussian 180° pulses were employed for water suppression, while the hard 90° pulse was 10 μs. Four scans were acquired at each step, while 16 dummy scans were acquired prior to signal acquisition, giving a total acquisition time of 20 min. The vertical range of the experiment (cnst0, <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c03596/suppl_file/ac4c03596_si_002.pdf">Section S14</a>) was set to 2.6 cm, and the spatial resolution can thus be assumed equal to 0.41 mm, such that each 1D spectrum in the data set arises from a 0.41 mm thick slice. All spectra were referenced to DSS (0 ppm). NMR data were processed using Bruker TopSpin 3.6.5. C<sub>indicator</sub> and the pH of each row of the CSI data set were determined experimentally from the integrals and chemical shifts of the indicator resonances, respectively, on each spectrum. C<sub>analyte</sub> was determined by linear fitting, as described below. Scripts for the acquisition and processing of NMR data are provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c03596/suppl_file/ac4c03596_si_002.pdf">Section S15–17</a>, while a spreadsheet is supplied as additional <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.4c03596/suppl_file/ac4c03596_si_001.xlsx">Supporting Information</a>.</p><h4><strong>Conclusion</strong></h4><p>We have shown how the p<i>K</i><sub>a</sub> of any substance can be determined in a single NMR experiment at a concentration of acidic sites as low as 2 mM. With a standard NMR sample volume of <i>ca</i>. 500 μL, our approach provides a substantial saving in sample quantity and experimental time relative to conventional workflows based on 2D heteronuclear NMR experiments and manual adjustment of the sample pH. Furthermore, by avoiding completely the requirement for direct observation of the molecule of interest, we can analyze any molecule or ion including those that do not exhibit observable NMR resonances (NH<sub>3</sub>OH<sup>+</sup>), or else resonances that are too broad (PAA) or not pH responsive (WGA) for analysis based on the pH-dependence of their <sup>1</sup>H chemical shifts. Knowledge of p<i>K</i><sub>a</sub> of these large systems could be used to inform the design of polymer–drug conjugates or liposomal formulations. <a href="javascript:void(0);">(44)</a> Our approach could potentially be extended to study the degree of proton transfer between acidic and basic partners at different volume fractions of organic solvent, greatly accelerating the determination of the p<i>K</i><sub>a</sub> of compounds with insufficient solubility for direct analysis in water. <a href="javascript:void(0);">(45−47)</a></p>

Determination of the pKa and Concentration of NMR-Invisible Molecules and Sites Using NMR Spectroscopy

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 6th January 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications by <strong>ALS Europe</strong>, <strong>Thermo Fisher Scientific,</strong> <strong>Agilent Technologies and</strong> <strong>Shimadzu</strong>!</p><h4><strong>1. ALS Europe: Precision and Detail Ensured by Scanning Electron Microscopy</strong></h4><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/enviromail_19_europe_precision_and_detail_ensured_by_scanning_electron_microscopy_july2024_f03db63b86.pdf"><strong>Full PDF for download</strong></a></li></ul><p>A Scanning Electron Microscope equipped with Energy-Dispersive X-ray Spectroscopy (SEM-EDS) represents a powerful tool and robust analytical technique that offers an extensive array of data regarding the microstructural and compositional attributes of a diverse spectrum of materials. ALS Laboratories are equipped with a modern scanning electron microscope Tescan VEGA 3 LMU with an energy-dispersive detector (EDS) Oxford X-Max 20. It is an ideal technique for surface inspection, identification of the elemental composition of unknown particles in a sample, or advanced determination of particle size or type distribution.</p><h5><strong>Elemental Analysis</strong></h5><p>An effective complement to the microscope itself is the aforementioned EDS detector, which can detect characteristic X-rays and assign them to specific elements. The latest systems are capable of detecting elements heavier than boron, i.e., elements with an atomic number &gt;5. The Oxford AZtec X-Max 20 EDS detector in our laboratories can very quickly confirm or exclude the presence of elements heavier than beryllium (excluding hydrogen, helium, and lithium). The result is a spectrum from which the composition of the examined particle can be determined. This capability can be utilised, for example, to compare the sample material with a supplied standard or to observe changes occurring in the sample when exposed to various processes and conditions.</p><h5><strong>Feature Analysis</strong></h5><p>Using the software module "Feature Analysis," it is possible to automatically analyse a large number of particles in terms of morphology, chemical composition, or a combination of both. A significant advantage over common techniques such as laser diffraction is the ability to directly image the analysed particles. The particles can be sorted entirely automatically, either by morphology, by defining parameters such as length, area, shape, etc., or by chemical composition, for example, whether they contain a specific element or not. The outputs can include various graphs and tables (see Figures 4 (A/B).</p><p><strong>The most common analyses in ALS Laboratories include: the anti-corrosion coating of car parts, the specification of foreign particles, a very frequent analysis is an identification of deposits on filters, identification of sediments, or stains, and defects on the surface of various materials and products. SEM-EDS analysis is also often an integral part of production processes, where quality control of intermediate and final products is crucial.</strong></p><h4><strong>2. Thermo Fisher Scientific: Analysis of photovoltaic grade silicon using triple quadrupole inductively coupled plasma mass spectrometry (ICP-MS)</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003016_tea_icp_ms_icap_mtx_photovoltaics_an003016_em_en_27bac73d30.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>To demonstrate a robust and accurate analytical method for the determination of bulk and trace elements in photovoltaic samples using triple quadrupole ICP-MS</strong></p><h5><strong>Introduction</strong></h5><p>Development of renewable and low-carbon energy sources has become critical in addressing global concerns related to carbon emissions and climate change. One key technology in achieving the reduction of CO<sub>2</sub> emissions while ensuring a stable and reliable energy supply is the use of photovoltaic (PV) technology. PV technology harnesses the natural energy from the sun and converts it into electrical power, emits zero CO<sub>2</sub>, and enhances energy security. Additionally, PV solar cells are predominantly composed of silicon, an abundant resource on Earth, making the transition to PV energy a viable option as a primary source of electricity, aligning with the move towards climate-friendly energy resources.</p><p>However, it is important to acknowledge that PV also has certain drawbacks, including susceptibility to damage, dependence on sunlight, and associated costs. To address these concerns, it is crucial to focus on developing innovative solutions that result in durable products, increased energy efficiency, and degradation prevention.</p><h5><strong>Experimental optimization of the instrument parameters</strong></h5><p>An <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1488"><strong>iCAP MTX ICP-MS</strong></a>, operated together with a Thermo Scientific™ iSC-65 Autosampler, was used for all analyses. The sample introduction system consisted of a Peltier-cooled (at 2.7 °C) and dedicated HF sample introduction kit consisting of a baffled PFA cyclonic spray chamber (Savillex, Eden Prairie, MN, USA), PFA concentric nebulizer (Savillex), and PLUS torch1 with a 2.0 mm i.d. removable sapphire injector. The built-in argon humidifier was used for moisturizing the nebulizer gas to prevent salt deposit on the<br>nebulizer tip, along with integrated argon gas dilution.&nbsp;</p><p>To further increase uptime of the instrument, intelligent matrix handling was used, a unique feature of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?instrumentationItems=83&amp;search=MSX+MTX"><strong>Thermo Scientific™ iCAP™ MX Series ICP-MS instruments</strong></a> to reduce exposure to sample matrix during sample uptake and wash. Interferences on all analytes were effectively controlled using the QCell collision/reaction cell (CRC) and leveraging the superior interference removal capabilities of a triple quadrupole ICP-MS instrument. In addition to the use of O<sub>2</sub> as a reactive gas in triple quadrupole mode for highly interfered analytes such as phosphorus, sulfur, arsenic and selenium, the instrument was also operated in single quadrupole mode using helium and kinetic energy discrimination (KED) for interference free analysis of other analytes over the full mass range. Table 1 summarizes the instrument configuration and analytical parameters.</p><p>The selection of the most appropriate isotopes per analyte, as well as the optimum analysis conditions (i.e., KED mode versus reactive gas, on mass mode versus mass shift mode) was automatically accomplished using the Reaction Finder Method Development Assistant available in the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489"><strong>Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution™ (ISDS) Software</strong></a>. Measurement modes were optimized using the provided autotune procedures.</p><p>The iSC-65 Autosampler allowed for the use of Step Ahead functionality to shorten the overall measurement time per sample and increase the number of samples that can be analyzed per unit time.</p><h4><strong>3. Agilent Technologies: ICP-OES Analysis of Electrolytes for All-Vanadium Redox Flow Batteries</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/application_v_flow_battery_icp_oes_5800_5994_7968en_agilent_1_563bab0388.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Quantification of impurity elements in vanadium sulfate electrolytes using an Agilent 5800 VDV ICP-OES.</strong></p><p>The detrimental effects of burning fossil fuels on the climate, environment, and air quality are driving the shift towards cleaner and more sustainable sources of energy. However, challenges remain for the renewable energy sector, as both wind and solar power can be intermittent, leading to fluctuations in energy generation. To offset the uncontrollable nature of these weather-based technologies, there is increasing demand for large-scale energy storage solutions to balance the requirements of energy grids. Addressing these challenges is crucial for achieving sustainable, reliable, and secure systems that can meet both current and future energy needs.</p><p>Compared to traditional batteries, which store energy in the electrodes, flow batteries are electrochemical (redox) systems that store and release energy through chemical reactions within the electrolyte. This mechanism means that the capacity and power of flow batteries can be tailored separately, providing scalability and long lifespans. This flexibility makes them suitable for grid-scale energy storage and backup power systems.</p><h5><strong>Instrumentation</strong></h5><p>Elemental analysis of the samples was carried out using the Agilent 5800 VDV ICP-OES. The instrument was fitted with a SeaSpray glass concentric nebulizer, double-pass cyclonic spray chamber, and an Easy-fit fully demountable torch with 1.8 mm quartz injector.</p><p>Agilent ICP Expert software was used to control the 5800 ICP-OES, optimize and run the method, and to process the data.</p><h5><strong>Automatic background correction</strong></h5><p>The Fitted Background Correction (FBC) routine within the ICP Expert software was used for all elements in this study. FBC uses a sophisticated mathematical algorithm to automatically model and subtract simple and complex background structures produced by non-analyte signals.</p><h5><strong>Conclusion</strong></h5><p>The Agilent 5800 VDV ICP-OES successfully determined 11 impurity elements in four all-vanadium flow battery electrolytes—an important quality control application within the battery production process. The main advantages of the analytical method include:</p><ul><li>Good calibration linearity (R&gt;0.9999) and low method detection limits (&lt;0.09 mg/L) for all target analytes.</li><li>Confirmation of the method’s accuracy demonstrated by 94 to 103% recoveries of 0.5 mg/L spikes added to one of the commercial vanadium sulfate electrolyte samples.</li><li>Recovery of all elements within 100 ±10% indicating that the 5800 can tolerate the high concentration of vanadium in the electrolyte samples, due to its robust vertical plasma and SSRF generator.</li><li>Excellent instrument stability, as shown by the precision of repeated measurements of a commercial electrolyte sample over four hours (RSDs &lt; 2.3%).</li></ul><p><strong>The 5800 VDV ICP-OES method is suitable for the accurate quantification of some key impurity elements in electrolytes used in all-vanadium flow batteries, in accordance with China standard method GB/T 37204-2018.</strong></p><h4><strong>4. Shimadzu: Observation of Rubber Fatigue Testing Specimens Using Two Types of X-Ray CT Systems</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00740_en_9631abda15.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The volume and shape of individual micro-defects in rubber can be observed in detail using a microfocus X-ray CT system.</li><li>The approximate position and size of microcracks can be determined efficiently using a phase-contrast X-ray CT system.</li><li>The progression status of defects and cracks in rubber can be compared at respective cycle counts of fatigue testing.</li></ul><p>Rubber products serve an important role in a wide range of fields, such as automotive tires, industrial products, and medical devices. However, functional losses can occur due to fatigue and aging after long periods of use. Therefore, evaluating the durability of rubber is an important issue.</p><p>In order to evaluate the progression of defects during usage, rubber must be inspected before it fails. It can be inspected by cutting it apart, but non-destructive inspections are preferable due to the disadvantages of destructive inspections, such as the inability to restore specimens after inspections and the limitation of only being able to evaluate cut surfaces.</p><p>Internal defects can be detected and three-dimensionally observed using an X-ray CT system. One X-ray imaging method typically used is absorption imaging, which generates images based on the quantity of X-rays absorbed. Another method is phase imaging, which is a new unconventional method that generates images based on variations in the phase of X-rays. This article describes using two types of instruments based on those different imaging methods to observe rubber during fatigue testing (Table 1).</p><h5><strong>Conclusion</strong></h5><p>Specimens for testing rubber fatigue were scanned using two types of X-ray imaging systems, a microfocus X-ray CT system and a phase-contrast X-ray CT system. By stretching samples, magnified images were acquired by the inspeXio SMX-225CT FPD HR Plus X-ray CT inspection system, and even small defects could be observed in detail and defect volume and count values compared at respective cycle count levels. The Xctal 5000 can determine the approximate orientation, size, and depth of microcracks without stretching samples or using magnified imaging. Both instruments can inspect items non-destructively, and the same specimen can be used to understand the progression of defects and cracks at any number of cycles. The characteristics of these instruments for scanning and analyzing data from specimens tested for rubber fatigue are indicated in Table 7.</p>

News from LabRulezICPMS Library - Week 2, 2025

<p><strong>In the week from January 13, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Anton Paar: How Sweet It Is: Innovations and Automation in Sugar and Chocolate Analysis</strong></h5><div><div><ul><li><div>Tu, 14.1.2025 18:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4448">Registration</a></div></li></ul></div><p>This webinar describes a comprehensive approach to analyzing sugar, confectionary products, and chocolate.</p></div><h5><strong>2.&nbsp;Shimadzu Corporation: Elemental Analysis: Energize the Future with Advanced Battery Testing Solutions</strong></h5><div><div><ul><li><div>Tu, 14.1.2025 19:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4668">Registration</a></div></li></ul></div><p>Innovative techniques for overcoming unique matric-specific challenges for analyzing black mass, electrolyte solutions, anode materials, and cathode materials by ICP-AES, TOC, and X-ray fluorescence.</p></div><h5><strong>3.&nbsp;Agilent Technologies: Automating the Workflow for the Analysis of Soils by ICP-OES. Less Work, More Flow</strong></h5><div><div><ul><li><div>Tu, 14.1.2025 21:30 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3770">Registration</a></div></li></ul></div><p>ADS2 automates lab workflows, from calibrators to smart dilutions. Faster, smarter, and more accurate.</p></div><h5><strong>4.&nbsp;Agilent Technologies: Agilent 8700 LDIR Workflows</strong></h5><div><div><ul><li><div>Th, 16.1.2025 20:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4637">Registration</a></div></li></ul></div><p>The two main worklflows of the LDIR will be discussed and demonstrated.</p></div>

Webinars LabRulezICPMS Week 3/2025

Can NMR-HetCA be a Reliable Prediction Tool for the Direct Identification of Bioactive Substances in Complex Mixtures?

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 13th January 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications by <strong>ALS Europe</strong>, <strong>Thermo Fisher Scientific,</strong> <strong>Agilent Technologies and</strong> <strong>Shimadzu</strong>!</p><h4><strong>1. ALS Europe:&nbsp;Isotope Ratio Analysis Solves Complex Problems</strong></h4><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/28592"><strong>Full PDF for download</strong></a></li></ul><p>ALS Laboratories are one of the few in the world to offer commercial isotope ratio testing services not only for radiogenic systems (Sr, Nd, Pu, U) and light stable isotopes (Li, B, Si), but also for heavy stable elements such as Ag, Ca, Cd, Cu, Fe, Mg, Mo, Si, and Zn.</p><p>All of these isotope ratio tests can be used as a fingerprint to provide information about origin or geologica<strong>l age, and have potential to be used for tracing pollution and exposure sources.</strong></p><h5><strong>ALS Capabilities for Isotope Ratio Analysis</strong></h5><p>ALS experts have more than 30 years of research and commercial testing experience for stable isotope ratio analysis using both High Resolution Sector Field ICP-MS (ICP-SFMS) and Multi-Collector ICP-MS (MC-ICP-MS) instrumentation. Our expert team has made substantial contributions to the field of isotope ratio analysis with 170 peer-reviewed publications. ALS laboratories offer isotope ratio analyses for more than 20 stable and radiogenic isotopic systems in a variety of sample matrices with high precision, even where sample concentrations are very low.</p><h4><strong>2. Thermo Fisher Scientific: Highly sensitive and reliable analysis of distillate products as per ASTM Method D8110 using single quadrupole ICP-MS</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/28389"><strong>Full PDF for download</strong></a></li></ul><p>The goal of this application note is to demonstrate the performance of an analytical method for routine analysis of typical samples relevant to the petrochemical industry, including starting materials such as crude oil but also products such as naphtha, with different boiling ranges using single quadrupole ICP-MS following the guidelines provided in ASTM Method D8110 Standard Test Method for Elemental Analysis of Distillate Products by Inductively Coupled Plasma Mass Spectrometry (ICP-MS).</p><h5><strong>Conclusions</strong></h5><p>The results obtained from the experiments described in this application note demonstrate the following:</p><ul><li>The proposed method and instrument set-up for elemental analysis of different petroleum products using the iCAP MSX ICP-MS represents a viable solution for laboratories performing oil and refinery product testing.</li><li>The combination of the sample introduction system together with a uniquely robust plasma generation system and a powerful CRC allows for sensitive analysis and comprehensive interference removal for all elements commonly analyzed in the industry. A common sample preparation method encompassing simple dilution of any products with either higher viscosity or lower boiling point in PremiSolv offers complete flexibility for the analysis of a variety of based petroleum sample matrices.</li><li>The use of KED with helium provided effective for removal of polyatomic interferences commonly observed in such challenging matrices, as was demonstrated by the detection limits and blank equivalent concentrations (BECs) achieved.</li><li>The method therefore allows the accurate and precise determination of a total of 28 elements in different kinds of distillate products, as was demonstrated by the results obtained in the spike recovery test.</li><li>If needed, other reactive gases can be used in a multi-mode analysis performed during a single aspiration of a sample, including alternative cell gases such as hydrogen. Thanks to the fast gas switching in the QCell CRC, the added time for switching cell gases is often negligible for the overall analysis time per sample.</li></ul><p>Taken together, the results obtained demonstrate that the proposed analytical method can be used in routine laboratories to achieve high-throughput, robust, and reliable analytical results with minimum downtime of the system.</p><h4><strong>3. Agilent Technologies: Improved Lab Efficiency with the Agilent 18-Cell Changer Accessory</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/26590"><strong>Full PDF for download</strong></a></li></ul><p>Evaluation of an Agilent Cary 60 UV-Vis spectrophotometer workflow using the 18-cell changer accessory</p><h5><strong>Introduction</strong></h5><p>In laboratory settings, time is of the essence. The speed at which any experiment can be conducted is important, and any advantages that can improve speed are critical. It is equally important that analytical workflows are optimized for maximum instrument use and minimal operator interaction.</p><p>The Agilent Cary 60 UV-Vis spectrophotometer is a flexible, powerful, and reliable UV-Vis system, ideal for routine analysis. To further improve workflow efficiency, the Cary 60 UV-Vis can be equipped with the Agilent 18-cell changer accessory. The 18-cell changer can measure up to 18 cuvettes in sequence, without any user interaction.</p><p>This technical overview compares a Cary 60 UV-Vis workflow using the 18-cell changer accessory versus a single-cell holder accessory to evaluate differences in terms of analysis time, data quality, user interaction, ease of use, and efficiency.</p><h5><strong>Conclusion</strong></h5><p>In summary, the Agilent 18-cell changer accessory for the Agilent Cary 60 UV-Vis spectrophotometer provides a range of benefits to laboratories and technicians alike. Compared to a single-cell holder, it dramatically increases efficiency by reducing the time taken to complete experiments and limiting the need for operator interaction, all without compromising the quality of results.</p><h4><strong>4. Shimadzu: Sensitivity Evaluation and Example Analysis of Microscopic Targets with Thermoelectrically Cooled MCT Detector</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/28644"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>A thermoelectrically cooled MCT detector can measure microscopic targets down to 25 μm in size without needing liquid nitrogen.</li><li>An MCT detector is compatible with transmission, reflection, and ATR method for analyzing a range of sample types.</li><li>For targets smaller than 25 μm, the standard T2SL detector can measure targets down to 10 μm in size with good sensitivity.</li></ul><h5><strong>Introduction</strong></h5><p>Infrared spectroscopy is extremely useful for qualitative analysis of organic compounds and some inorganic compounds. Infrared microscopy can be used for spectroscopic analysis of microscopic targets that are otherwise difficult to analyze. The AIMsight Infrared Microscope and the infrared mode of the AIRsight Infrared/Raman Microscope are equipped as standard with the T2SL detector, which can analyze microscopic targets down to 10 μm in size if it is cooled with liquid nitrogen. However, the difficulties associated with procuring and handling liquid nitrogen mean there is increasing demand for infrared spectroscopic analysis of microscopic targets without using liquid nitrogen.</p><p>The thermoelectrically cooled (TEC) MCT detector is a new optional detector in Shimadzu’s product lineup that can analyze microscopic targets down to 25 μm in size without liquid nitrogen. This Application News compares this new detector with existing detectors and presents two example analyses of microscopic targets using the new detector.</p><h5><strong>Conclusion</strong></h5><p>This Application News compares the sensitivity of the new TEC MCT detector with existing detectors and presents two example analyses performed using the TEC MCT detector. The comparisons show the TEC MCT detector, which operates without liquid nitrogen, can measure targets as small as 25 μm with good sensitivity, and it is compatible with reflection and ATR spectroscopy as well as transmission spectroscopy for analysis of a range of sample types.</p><p>The T2SL detector, which requires liquid nitrogen, is recommended when analyzing targets smaller than 25 μm or when using fewer scans to shorten the analysis time. However, the minimum target size for infrared spectroscopic analysis with the T2SL detector is 10 μm, so targets smaller than 10 μm, Raman spectroscopy with the AIRsight infrared/Raman microscope should be used.</p>

News from LabRulezICPMS Library - Week 3, 2025

<p><strong>In the week from January 20, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Anton Paar: Fundamentals of Scratch</strong></h5><div><div><ul><li><div>Tu, 21.1.2025 20:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4449">Registration</a></div></li></ul></div><p>This webinar provides a thorough introduction to the theory and practice of instrumented scratch testing, a critical method for evaluating the mechanical properties of materials under stress.</p></div><h5><strong>2.&nbsp;Mettler-Toledo: Advanced Inspection of Canned Goods with X-ray Inspection</strong></h5><div><div><ul><li><div>We, 22.1.2025 09:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4658">Registration</a></div></li></ul></div><p>Join our webinar to discover the wide range of benefits that x-ray inspection offers canned applications - including advanced detection capabilities and integrity and completeness checks.</p></div><h5><strong>3.&nbsp;Bruker: Nanoscale Chemical Characterization of Semiconductor Materials and Devices using Photothermal AFM-IR</strong></h5><div><div><ul><li><div>We, 22.1.2025 17:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4681">Registration</a></div></li></ul></div><p>In this webinar, Bruker nanoscale IR spectroscopy experts show how photothermal AFM-IR can identify the local chemistry of defects.</p></div><h5><strong>4.&nbsp;Agilent Technologies: Using LDIR for Advanced Microplastics Characterization</strong></h5><div><div><ul><li><div>Th, 23.1.2025 09:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4683">Registration</a></div></li></ul></div><p>This session will highlight the advanced features of LDIR technology and its critical applications in analyzing microplastics within various matrices.</p></div><h5><strong>5.&nbsp;LECO: Optimization of Combustion Methods for Determination of Low-Level Nitrogen-Protein in Food</strong></h5><div><div><ul><li><div>Th, 23.1.2025 16:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4686">Registration</a></div></li></ul></div><p>In this webinar, Lloyd Allen, Ph.D., LECO's Director of the Technical Services Laboratory, will share practical insights on overcoming challenges using advanced combustion instruments.</p></div><h5><strong>6.&nbsp;Agilent Technologies: Different Cones / Nebulizers / Sample Introduction Systems .. Where and When to Use them</strong></h5><div><div><ul><li><div>Th, 23.1.2025 20:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4546">Registration</a></div></li></ul></div><p>Different Cones / Nebulizers / Sample Introduction Systems .. Where and When to Use them</p></div>

Webinars LabRulezICPMS Week 4/2025

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