<p><strong>This study examines the combustion behavior of B4C/Bi2O3 pyrotechnic delay compositions as sustainable alternatives to conventional materials. Thermodynamic modeling and experimental testing were used to evaluate the influence of compaction pressure, particle size, and granule size on burning performance.</strong></p><p>Results showed that increased compaction reduced burning rates by lowering porosity and shifting combustion from convective to conductive mechanisms. Residue and gas analyses supported a multistage reaction pathway, demonstrating the potential of B4C/Bi2O3 formulations for environmentally improved pyrotechnic applications.</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.5c10964"><strong>Sustainable Pyrotechnics: Combustion Behavior of B<sub>4</sub>C/Bi<sub>2</sub>O<sub>3</sub> for Delay Compositions</strong></a></h4><p>Danillo F. Vianna Cantini, Vojtěch Pelikán*, Eva Schmidová, Jiří Pachman</p><p>ACS Omega 2026, 11, 3, 4668–4683</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c10964">https://doi.org/10.1021/acsomega.5c10964</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>Pyrotechnic delay compositions are formulations designed to create a specific delay time, determined primarily by their burning rate. These compositions are essential in timing energetic events and are used extensively in both civilian and military applications. <a href="javascript:void(0);">(1)</a> This broad usage leads to diverse motivations for studying such materials. In civilian contexts, such as mining, the focus is typically on safety and cost-effectiveness. <a href="javascript:void(0);">(2)</a> For military purposes, reliability and precision are key factors, often with stringent performance requirements. <a href="javascript:void(0);">(3)</a></p><p>Pyrotechnic delay compositions are classified based on their combustion behavior into gassy or gasless types. In confined, sealed and obturated environments, gasless compositions are favored, to avoid gas buildup. <a href="javascript:void(0);">(1,4)</a> However, in unconfined or vented systems, gassy compositions are not problematic. For example, in fireworks, where combustion gases freely dissipate, <a href="javascript:void(0);">(1)</a> or in vented housings like hand grenades or signaling devices, gassy delays are acceptable. <a href="javascript:void(0);">(5,6)</a></p><p>In gassy compositions, the burning rate is influenced by the loading (or consolidation) pressure. Hot gases generated by the chemical reaction penetrate gas channels (voids) in the material, igniting unreacted material through a process known as convective heating. As loading pressure increases, these voids are gradually reduced, which diminishes convection and subsequently lowers the burning rate. In contrast, for gasless compositions, burning is driven by conductive heating, where heat is transferred through direct particle-to-particle contact, leading to the opposite effect. <a href="javascript:void(0);">(7−9)</a></p><p>Historically, up until World War II, black powder served as the foundation for most delay elements. Nowadays, it continues to be utilized for this function and others, but on smaller scales. <a href="javascript:void(0);">(1)</a> Some more recent and traditional formulations for pyrotechnic compositions include fuels like silicon, boron, tungsten, zinc, iron, zirconium, and manganese. Examples of these are Si/Pb3O<sub>4</sub>, <a href="javascript:void(0);">(8,10)</a> B/BaCrO<sub>4</sub> <a href="javascript:void(0);">(8)</a>, W/BaCrO<sub>4</sub>/KClO<sub>4</sub>, <a href="javascript:void(0);">(5,6,11)</a> Zn/PbO<sub>2</sub>, <a href="javascript:void(0);">(12)</a> Fe/BaO<sub>2</sub>, <a href="javascript:void(0);">(13)</a> Zr/KClO<sub>4</sub>, <a href="javascript:void(0);">(8)</a> and Mn/PbCrO<sub>4</sub>/BaCrO<sub>4</sub>. <a href="javascript:void(0);">(14)</a></p><p>Currently, researchers are actively developing several new formulations for pyrotechnic delays. One of the main motivations for this is the need to transform these compositions into “greener” ones. <a href="javascript:void(0);">(1,2)</a> This means that compositions that could cause problems for the environment or human health should be avoided. To achieve this sustainability, the identification and replacement of known or potentially harmful, toxic, and carcinogenic compounds is vital. <a href="javascript:void(0);">(10)</a> Heavy metals, persistent organic pollutants, toxic gases, volatile organic compounds and known causers of human health problems are examples of such substances to be removed. <a href="javascript:void(0);">(2,5,15)</a></p><p>Specifically, there are several attempts to replace lead, barium, chromates, and perchlorates. <a href="javascript:void(0);">(15)</a> The reason is that most of the established delay formulations used today contain these substances. <a href="javascript:void(0);">(2,5)</a> Lead, barium and chromium (contained in chromates) are heavy metals and are known to cause serious health problems in human, specially to nervous, cardiovascular and respiratory systems. <a href="javascript:void(0);">(5,16)</a> Perchlorates are well-documented substances and are used in various pyrotechnic applications. However, they are widely recognized as contributors to thyroid issues. <a href="javascript:void(0);">(5)</a></p><p>From the above, it is clear that modern strategies in pyrotechnics are increasingly focused on developing new materials that prioritize both efficiency and sustainability. This shift imposes numerous restrictions, meaning that formulations must be designed with precise planning and thorough investigation to meet both performance and environmental standards.</p><p>Boron could be considered the ideal fuel for pyrotechnic reactions due to its high energy content. However, it presents combustion issues for its limited reactivity due to boron oxide layer and boron agglomerates formation upon heating. <a href="javascript:void(0);">(17)</a> The boron oxide layer acts as a barrier, hindering oxygen (O) diffusion and consequently limiting the oxidation of boron. <a href="javascript:void(0);">(18)</a></p><p>Boron carbide (B<sub>4</sub>C) is a natural candidate for combustion processes due to its lower ignition point, which is attributed to its higher reactivity. This reactivity stems from the diffusion of carbon (C) particles, which oxidize into gaseous products. These gaseous products create diffusion channels that penetrate the boron oxide layer, breaking down the layer and agglomerates, thereby further improving the reaction. <a href="javascript:void(0);">(18,19)</a> B<sub>4</sub>C presents better combustion properties, with better burning stability and reliable self-propagation, resulting in better combustion efficiency. <a href="javascript:void(0);">(17)</a></p><p>Bismuth trioxide (Bi<sub>2</sub>O<sub>3</sub>) is an attractive oxidizer for pyrotechnic delay compositions due to several advantageous properties. Its high oxygen content and efficient oxygen release facilitate sustained combustion, while its favorable thermal properties, including a relatively low melting and decomposition temperature, ensure that oxygen is available at precisely the right moment to support a controlled reaction. <a href="javascript:void(0);">(20)</a> Additionally, Bi<sub>2</sub>O<sub>3</sub> high density allows for compact formulations, promoting consistent and reliable burn rates. Also, it has a low heat of formation (approximately −582 kJ/mol), which is crucial to minimize the energy required to initiate its decomposition. This enhances the overall reaction efficiency, allowing Bi<sub>2</sub>O<sub>3</sub> to rapidly release oxygen without consuming excessive energy, thus ensuring sustainable and stable combustion. <a href="javascript:void(0);">(8)</a></p><p>In addition to their technical advantages, Bi<sub>2</sub>O<sub>3</sub> and B<sub>4</sub>C offer a significant environmental benefit: they are considered more eco-friendly compared to other materials commonly used in pyrotechnic compositions. Bi<sub>2</sub>O<sub>3</sub> serves as a less toxic alternative to traditional oxidizers like lead-based compounds, reducing the risk of environmental contamination and exposure to harmful heavy metals. <a href="javascript:void(0);">(1,8,16)</a> Similarly, B<sub>4</sub>C contributes to cleaner combustion, producing fewer pollutants and minimizing the environmental impact. <a href="javascript:void(0);">(5)</a> This makes both materials not only effective but also greener choices for sustainable pyrotechnic applications.</p><h4><strong>2. Experimental Section</strong></h4><h5><strong>2.8. Material Characterization</strong></h5><p>Particle and granule size distribution were measured with a <strong>Malvern Mastersizer 3000</strong> (Malvern Panalytical). Scanning Electron Microscopy (SEM) was carried out with a <strong>TESCAN MIRA</strong> (TESCAN) to examine morphology and confirm particle size. A 40 cm<sup>3</sup> combustion chamber was used to analyze pressure profile, quantify solid residues, and collect combustion gases for further analysis. Fourier Transform Infrared Spectroscopy (FTIR) was performed using a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2392"><strong>Nicolet iS50 FT-IR</strong></a> (Thermo Scientific) and standardized nitrogen (N<sub>2</sub>) background to identify gas-phase products. Thermal stability and water content assessments were conducted using <strong>TGA</strong> (NETZSCH TG 209 F3 Tarsus) and <strong>DSC</strong> (NETZSCH DSC 200 F3 Maia). Energy Dispersive X-ray Spectroscopy (EDS) was performed using a <strong>Bruker Quantax 200</strong> (Bruker) for semiquantitative chemical composition analysis of the combustion residues. X-ray diffraction (XRD) analyses were performed using a Rigaku MiniFlex diffractometer for complementary phase identification, while surface chemical states were characterized by X-ray photoelectron spectroscopy (XPS) using a Scienta Omicron ESCA2SR system.</p><h4><strong>3. Results and Discussion</strong></h4><h5><strong>3.7. FTIR Analysis of Combustion Gases</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c10964#fig10">Figure 10</a> compares the FTIR spectra of combustion chamber gases from stoichiometric (blue) and fuel-rich (red) tests, highlighting CO and CO<sub>2</sub> as the main species, consistent with Horiuchi. <a href="javascript:void(0);">(18)</a> Normalizing their absorbance to concentration using standard references yielded CO<sub>2</sub>/CO ratios of 0.67 (stoichiometric) and 0.34 (fuel-rich). However, a quantitative analysis is approximate and inherently imprecise, as potential contamination during gas collection and measurement could affect the results, given the challenge of maintaining a completely controlled internal atmosphere. A small fraction of hydrocarbon species (e.g., CH<sub>4</sub>, C<sub>2</sub>H<sub>4</sub>, and C<sub>2</sub>H<sub>2</sub>) was also identified in both samples.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_3_4668_4683_Figure_10_Comparative_FTIR_spectra_of_combustion_gas_compositions_in_a_combustion_chamber_ac7b7daf84.jpg" alt="ACS Omega 2026, 11, 3, 4668–4683: Figure 10. Comparative FTIR spectra of combustion gas compositions in a combustion chamber." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_3_4668_4683_Figure_10_Comparative_FTIR_spectra_of_combustion_gas_compositions_in_a_combustion_chamber_ac7b7daf84.jpg 245w," sizes="100vw" width="1956" height="989"></p><p>While experimental results indicate a higher CO<sub>2</sub> presence than predicted, the overall trend aligns with expectations─higher fuel content shifts combustion products toward less oxidized species. Notably, the identified gaseous products are relatively simple and exhibit low toxicity compared to halogenated or metal-containing species commonly found in traditional pyrotechnic formulations, supporting the potential of this system as a more environmentally friendly alternative.</p><p>Since the reaction involves both condensed-phase reactants and products, characterizing the solid residues is essential to evaluate the extent of reaction and gain insight into the actual progression of the reaction pathway. For this, SEM imaging and EDS analysis were employed to investigate the morphology and elemental composition of the combustion residues.</p><h5><strong>3.8. SEM and EDS of Burning Residues</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c10964#fig11">Figure 11</a> presents the SEM analysis of solid residues from the combustion of B4. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c10964/suppl_file/ao5c10964_si_001.pdf">Figure S5</a> exhibits images of the other samples. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c10964#fig11">Figure 11</a>a shows the top view of the burned delay element, revealing the distribution of residues across the surface, while <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c10964#fig11">Figure 11</a>b provides a magnified view of a region rich in bright spherical structures. These spheres are likely bismuth that transitioned through a liquid or gaseous phase during the reaction and solidified upon cooling. This phenomenon of spherical formation due to phase transition is well-documented in the literature. <a href="javascript:void(0);">(33)</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_3_4668_4683_Figure_11_SEM_analysis_of_B4_after_burning_8fc7a8f520.jpg" alt="ACS Omega 2026, 11, 3, 4668–4683: Figure 11. SEM analysis of B4 after burning: (a) top view (50 ×) of the burned delay element showing the distribution of solid residues across the surface; (b) magnified view (1 k×) of a region rich in bright spherical structures." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_3_4668_4683_Figure_11_SEM_analysis_of_B4_after_burning_8fc7a8f520.jpg 245w," sizes="100vw" width="2092" height="831"></p><h5><strong>3.10. Surface Chemistry of Combustion Residues (XPS)</strong></h5><p>Survey spectrum scans identified the main photoelectron lines corresponding to carbon, oxygen, boron, and bismuth. High-resolution scans for the O 1s, C 1s, B 1s, and Bi 4f regions of B4 are presented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c10964#fig19">Figure 19</a>, allowing detailed peak deconvolution and chemical assignment.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_3_4668_4683_Figure_19_XPS_high_resolution_spectra_of_O_1s_C_1s_B_1s_and_Bi_4f_regions_for_B4_5c6064d013.jpg" alt="ACS Omega 2026, 11, 3, 4668–4683: Figure 19. XPS high-resolution spectra of O 1s, C 1s, B 1s, and Bi 4f regions for B4." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_3_4668_4683_Figure_19_XPS_high_resolution_spectra_of_O_1s_C_1s_B_1s_and_Bi_4f_regions_for_B4_5c6064d013.jpg 214w," sizes="100vw" width="2049" height="1498"></p><p>The analysis confirmed B<sub>2</sub>O<sub>3</sub> as a major surface product and indicated the presence of unreacted B<sub>4</sub>C in the B4 sample through B–C bonds. sp<sup>2</sup> carbon was also detected in B4, suggesting possible graphite formation, as predicted in thermodynamic calculations. A2 showed more Bi<sup>3+</sup> than B4, supporting that the stoichiometric composition had more residual Bi<sub>2</sub>O<sub>3</sub>, while the fuel-rich B4 sample promoted greater reduction to Bi<sup>0</sup>. The presence of Bi<sup>3+</sup> on the surface observed may result from postcombustion reoxidation of Bi<sup>0</sup>. These results reinforce the proposed reaction pathway and the role of fuel excess in enhancing reaction completeness. In this analysis, the B 1s spectrum further confirms the absence of BN by the lack of B–N peaks, consistent with the EDS results, which also revealed no detectable nitrogen signal.</p><p>All experimental findings contribute to the fundamental understanding of boron carbide and bismuth oxide reactions under both basic and applied conditions, particularly in delay compositions. These results provide new insights into the reaction pathway and the underlying combustion mechanism.</p><h4><strong>4. Conclusions</strong></h4><p>Stoichiometric formulations of B<sub>4</sub>C/Bi<sub>2</sub>O<sub>3</sub>, which ignited when not pressed, failed to burn after being lightly compacted; a fuel-rich composition is necessary to ensure combustion. The fuel-rich compositions ignited readily and maintained combustion without quenching. Water facilitated the granulation process and improved the final composition. With increasing loading pressure, burning rates decrease due to reduced convective heat transfer, leading the combustion process to transition toward a conductive regime. Particle size also impacted combustion, particularly with larger Bi<sub>2</sub>O<sub>3</sub> particles, which influenced the combustion profile up to a certain threshold. Additionally, the granule size of the final composition was found to alter the burning behavior, with larger granules promoting faster combustion at lower pressures.</p><p>Thermodynamic calculations provided an initial insight into the reaction process. The findings show that the reaction progresses through distinct stages: starting in a solid–solid preignition phase, transitioning to a solid–liquid phase as components melt, and culminating in a gas phase marked by significant product volatilization, illustrating a complete combustion evolution.</p><p>FTIR analysis confirmed that the main gaseous products are CO and CO<sub>2</sub>, indicating reduced environmental toxicity. Elemental and phase analyses confirmed that the reaction followed the expected pathway, with Bi and B<sub>2</sub>O<sub>3</sub> as the predominant products. No Bi<sub>2</sub>O<sub>3</sub> was detected by XRD, indicating that the oxidizer was fully consumed in the bulk. Morphological analysis of the products suggests that, upon cooling, bismuth solidifies into small metallic spheres, while surface analysis indicates that B<sub>2</sub>O<sub>3</sub> remains predominantly in the outer layer. Altogether, the results are consistent and complementary, reinforcing the reliability and scientific rigor of the study.</p><p>All these observations accentuate the necessity of conducting experiments under application-specific conditions. These findings not only enhance our understanding of the combustion dynamics of low toxicity B<sub>4</sub>C/Bi<sub>2</sub>O<sub>3</sub> mixtures but also underscore their potential for practical applications requiring precise delay times and environmental sustainability. The successful use of water as a green solvent further highlights the viability of developing sustainable pyrotechnic compositions. This research advances the field by providing valuable insights into optimizing performance while minimizing environmental impact through careful material selection and process control.</p></div>

Sustainable Pyrotechnics: Combustion Behavior of B4C/Bi2O3 for Delay Compositions

<p><strong>In the week from May 11, 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. Thermo Fisher Scientific: Uncovering Microplastics: Identification, Quantification, and Exposure Assessment</strong></h5><ul><li>Tu, 12.5.2026 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6136">Registration</a></li></ul><p>In this webinar, we will explore complementary analytical solutions for comprehensive microplastics characterization.</p><h5><strong>2. SPECTRO Analytical Instruments: Elemental Analysis of Superalloys: Ensuring Performance in Extreme Applications</strong></h5><ul><li>Tu, 12.5.2026 10:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6170">Registration</a></li></ul><p>Learn how accurate elemental analysis ensures superalloy performance, with OES and XRF solutions for reliable quality control from lab to field.</p><h5><strong>3. Agilent Technologies: What have you been smoking? Elemental Analysis in Cannabis and Cannabis Products with ICP-MS</strong></h5><ul><li>Tu, 12.5.2026 20:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6063">Registration</a></li></ul><p>Learn how automated calibration and dilution streamline ICP-MS food testing workflows, improving accuracy, traceability, and productivity while addressing rare-earth doubly charged interferences.</p><h5><strong>4. AZoM: Faster REE Exploration Decisions with XRF Technology Explained</strong></h5><ul><li>We, 13.5.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6195">Registration</a></li></ul><p>Join the webinar to see how handheld XRF provides a significant advantage in today's fast-paced REE landscape.</p><h5><strong>5. Bruker: Advancing Industrial Metrology Automation with Bruker's Dimension AFMs</strong></h5><ul><li>We, 13.5.2026 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6172">Registration</a></li></ul><p>This webinar will explore how Dimension AFM platforms support increasing levels of automation, from scripted measurements to data-driven control.</p><h5><strong>6. Anton Paar: Polymer Rheology: Impact of Humidity on Material Behavior</strong></h5><ul><li>We, 13.5.2026 18:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5801">Registration</a></li></ul><p>Discover how humidity impacts polymers and soft materials. Learn how moisture alters rheology, tackiness, curing, and flowability through real case studies across films, adhesives, foods, and powders.</p><h5><strong>7. LECO: TOC Determination in Soil and Waste</strong></h5><ul><li>Th, 14.5.2026 14:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/6038">Registration</a></li></ul><p>Join this webinar to explore modern methods for TOC determination in soils and waste. Learn how standardized approaches, instrumentation, and method selection influence data quality and regulatory compliance.</p>

Webinars LabRulezICPMS Week 20/2026

<p><strong>Routine chemical analysis typically involves several steps, e.g. selection of procedure, sampling, sample preparation, measurement, result calculation, uncertainty estimation, and reporting to customer. Based on the result, important decisions and actions are taken. The steps before and after the measurement are often referred to as “pre- and post-analytical”. There are many sources of uncertainty associated with this work, some of which can actually limit the overall quality.&nbsp;</strong></p><p><strong>Proficiency testing (PT)</strong> and external quality assessment <strong>(EQA) schemes</strong> are effective means of assessing the quality of routine analyses. However, if there are specific procedures, either before or after the measurement, which are applied to the routine samples, but not to the PT test sample, the result reflects only the quality of part of the measurement process. Pre- and post-analytical PT/ EQA schemes are already widely used in laboratory medicine. The standard ISO 15189, that underpins accreditation of medical laboratories, stresses that EQA schemes should “... <i>have the effect of checking the entire process including pre- and post-examination procedures</i> ...”&nbsp;</p><p>The examples in this leaflet illustrate the potential and importance of pre- and post-analytical PT/EQA. They are intended as an inspiration for the providers to further develop their external quality control activities.</p><h4><strong>Pre- and post-analytical PT/EQA – a means for harmonisation&nbsp;</strong></h4><p>By illustrating, e.g. lack of adherence to guidelines, or variation in sample preparation, or inconsistency in interpretation, pre- and post-analytical PT/EQA schemes pinpoint problems not apparent in other schemes. This may lead to improved harmonisation and changes to guidelines and standards.</p><h4><strong>Example 1: Interpreting clinical chemistry information&nbsp;</strong></h4><p>Patient background information together with analytical results can be used to check agreement of interpretational advice given by medical doctors. This type of scheme can, therefore, include both pre- and post-analytical aspects. The provider, e.g. through an expert group, ranks the quality of participants’ response and suggestions, and presents them in the report with comments.</p><h4><strong>Example 2: Sampling requests in microbiology&nbsp;</strong></h4><p>Using the scenario of food poisoning, pre- &amp; post-analytical aspects of sampling requests in a microbiology scheme can be highlighted. The provider gives information about food type, symptoms, and incubation time with a simulated sample. Participants choose which organism(s) to test for. The associated laboratory work involves examination of samples, report on method(s) of choice and results. Participants could, e.g. be asked to specify which toxins or pathogens are likely to cause the food poisoning and state whether or not they will disseminate information, e.g. to hospitals or food suppliers. The feedback report would then show the results of each participant together with the comments of the provider.&nbsp;</p><h4><strong>Example 3: Toy testing&nbsp;</strong></h4><p>Faulty design, usage and chance play a role in injury and death incidents related to children’s toys. Toy safety is the practice of ensuring that toys are safe, usually through the application of set safety standards. The PT provider sources a toy, performs visual assessment of its homogeneity, and distributes the samples. Participants are requested to assess the toy against the European standard EN 71 and they have to decide which clauses of the standard apply. The clauses chosen define the test(s) to be carried out. The feedback report will contain a “<strong>model answer</strong>” including clauses, tests and labeling requirements (when applicable).&nbsp;</p><h4><strong>Example 4: Monitoring drinking water quality&nbsp;</strong></h4><p>A post-analytical application can be underpinned by legislation and national regulations (Directive 98/83/EC). Participants receive a synthetic drinking water sample with properties close to one or more limiting values. They are requested to deliver results, uncertainties and a “pass/fail” recommendation to the customer. The recommendations of the provider are listed in the feedback report for educational purposes. Information can be fed back also to regulators to serve, e.g. as basis for further discussions.&nbsp;</p><blockquote><h5><strong>More information / further reading&nbsp;</strong></h5><p>Information about PT providers and schemes can be obtained from your national accreditation body, from the <a target="_blank" rel="noopener noreferrer" href="https://www.eptis.org/"><strong>EPTIS website</strong></a> or from other national or international organisations.</p></blockquote>

Pre- and post-analytical proficiency testing

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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.

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<p><strong>After two introductory webinars to the tool presented by our colleague Dr. Gary Sharman, we wanted to continue this Mnova Gears webinar series by sharing more in-depth use cases. Different users from big and small Pharmas and Universities will be telling us how they have automated their analytical data workflows using Mnova Gears.</strong></p>
<h3><strong>ABSTRACT</strong></h3>
<p>To streamline the workflow of the analytical data processing, data reporting and management of registered compounds in our SMDI database, we have collaborated with Mestrelab Research over the past two years to build an efficient and automated workflow using Mgears and other Mnova software.  In this new workflow, the 1D/2D NMR and LCMS raw data from multiple instruments (Bruker, Agilent, and Thermo) are detected in real-time and paired with the expected chemical structure.</p>
<p>Next, the NMR data are processed and analyzed (FT transform, phase/baseline correction, peak picking and multiplet analysis etc.), and together with the LCMS data, the proposed structure is verified by comparing the expected molecular ion and isotope pattern, the predicted NMR spectra and peak assignments.</p>
<p>The results are reported in one document in a predefined format for both NMR and LCMS.  Then, the reports are saved to a Mnova DB and Genentech SMDI database.</p>
<p>This process happens in real-time without human intervention.  Currently the system is running constantly 24/7 serving users who have access to the SMDI database.  All users can easily retrieve the reports from SMDI data browser or by searching the Mnova DB.  After user reviewing and revising in Mnova, the reports can be saved back to the databases.</p>
<h5><strong>What to expect</strong></h5>
<p>A demonstration of how Mnova Gears was set up and run at Genentech’s labs.</p>
<h5><strong>Key points</strong></h5>
<ul>
<li>Mnova Gears effectively streamlines the workflow of analytical data processing and reporting</li>
<li>Mnova Gears creates “live” and interactive analytical data reports in SMDI, Genentech’s database</li>
<li>“Live” analytical data reports stored in Mnova DB make retrieving old analytical data for review and publication much easier</li>
</ul>
<h5><strong>Who should attend?</strong></h5>
<p>Scientists in pharma, biotech and other fields who want to automate NMR and LCMS data processing and reporting.</p>
<blockquote>
<p><strong>Presenter:</strong> Yanzhou Liu (Scientific Manager, Genentech)</p>
</blockquote>
<blockquote>
<p>I have been working in pharmaceutical industry as a medicinal chemist and NMR spectroscopist for more than 20 years.  Currently, I manage the NMR facilities in Discovery Chemistry Department at Genentech.</p>
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Mestrelab Research: Using Mnova Gears to Automatically Process and Report NMR & LC/MS Data in Real-Time at Genentech

Using Mnova Gears to Automatically Process and Report NMR & LC/MS Data in Real-Time at Genentech

Automated real-time processing of NMR & LC/MS using Mnova Gears at Genentech.

Using Mnova Gears to Automatically Process and Report Data

<p><strong>This was the first in a series of Mnova Gears related seminars which are planned. Later seminars in the series will go into various aspects of the platform in more detail, and share more in depth use cases.</strong></p>
<h3><strong>ABSTRACT</strong></h3>
<p>This webinar provides an introduction to the Mnova Gears automation platform, a simple yet powerful tool for automating your spectroscopic and chromatographic analyses and reporting. It describes the main concepts and features of the tool, the available plugins, and provide a number of easy to follow of examples of how it can be used for typical analyses involving NMR and LCMS data.</p>
<h5><strong>What to expect</strong></h5>
<p>A simple explanation of the tool and examples of how to use it that should empower you to go away and start using it yourself. Future seminars in this series will cover more advanced functionality such as customization with scripting, and real world examples from users.</p>
<h5><strong>Key points</strong></h5>
<ul>
<li>Learn how to automate routine analyses at the sample or batch level</li>
<li>Find out about the range of plugins available and the scope of their application</li>
<li>See real and relevant examples demonstrated in a way that would allow you to implement them yourself</li>
</ul>
<h5><strong>Who should attend?</strong></h5>
<p>Researchers and analysts in pharma, biotech, fine chemicals or academia who have analytical chemistry processes (large or small scale) that they would like to automate. Scientists who are tired of spending time on routine analyses and want to free up resources for more challenging tasks.</p>
<blockquote>
<p><strong>Presenter:</strong> Dr. Gary Sharman (Senior Scientific Director, Mestrelab Research)</p>
</blockquote>
<blockquote>
<p>Gary joined Mestrelab in June 2020, following 20 years working in major pharma companies within the field of analytical chemistry. Gary specializes in NMR, LCMS and data management and has worked on many real world projects involving automation of sample analysis.</p>
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Mestrelab Research: An Introduction to Mnova Gears (Part I)

An Introduction to Mnova Gears (Part I)

An introduction to the Mnova Gears automation platform, a simple yet powerful tool for automating your spectroscopic and chromatographic analyses and reporting.

<p><strong>Dr. Niccy Tonge (Mestrelab) described a case study explaining how to get more out of analytical data and make it available for other business purposes.</strong></p><p>This webinar was a case study explaining how an automated process has been commissioned in a drug discovery lab. We explained the automated process and highlight the benefits of moving from manual analysis to automation.</p><p>We focused on the use of automated workflows for the interpretation of quantitative NMR data and then considered the possibilities for automation of other analytical processes and the benefits that can bring to scientists, IT teams and other stakeholders in the business of chemistry.</p><h4><strong>What to expect/Key points</strong></h4><ul><li>Understand how an automated process for performing qNMR has proved beneficial in drug discovery</li><li>Get insights into how automated processing of analytical data can enhance productivity</li><li>Learn how to get more out of analytical data and make it available for other business purposes</li></ul><h4><strong>Who should attend?</strong></h4><ul><li>Anyone interested in digital transformation and moving from manual interpretation of analytical data to automated extraction of information.</li><li>Scientists involved in processing and interpretation of analytical data</li><li>IT teams who need to integrate processes that enable better use of analytical data.</li></ul><blockquote><p><strong>Presenter:</strong> Dr. Niccy Tonge (Account Manager (EMEA) – Mestrelab)</p><p>Niccy is an Account Manager at Mestrelab, and spends her time helping customers to get more out of their analytical data and implement digital tools for data processing and analysis. She has a PhD in Chemistry and a background working with analytical data generated by many different methods.</p></blockquote>

Mestrelab Research: A Behind the Scenes Look at Automated qNMR Data Processing and Analysis

A Behind the Scenes Look at Automated qNMR Data Processing and Analysis

This webinar was a case study explaining how an automated process has been commissioned in a drug discovery lab. 

Automated qNMR Data Processing and Analysis

<p><strong>Bruker Chemist Suite is a new software solution offered exclusively to Bruker customers. It contains a set of efficient tools for data management, processing, analysis and reporting of various analytical data (NMR, LC/GC/MS, UV-Vis, IR, Raman, Fluorescence). It also provides powerful modules for quantification and purity determination, for generating IUAPC name from chemical structure and for NMR spectra prediction. Bruker Chemist Suite is our new solution for confirmation of chemical structure identity and structure verification.</strong></p><h5><strong>What to expect</strong></h5><p>This webinar will give you a sneak preview on the features that Bruker Chemist Suite is offering. You will get a general overview of the software (brief summary of the plugins that make up this package), as well as practical examples. The practical session will particularly focus on structure verification.</p><h5><strong>Who Should Attend?</strong></h5><p>Anybody who is interested in a software that can be used for a broad range of post-acquisition processing tasks of analytical data, such as processing, analysis, reporting, quantification and structure verification. &nbsp;</p><blockquote><p><strong>Presenter:</strong> Jérôme Coutant (NMR Application Scientist at Bruker BioSpin and Product Manager of Structure Verification)</p><p>Jerome Coutant studied chemistry at undergraduate level and hold a PhD in NMR spectroscopy from Université Pierre et Marie Curie, working on structure determination of proteins and protein-protein complexes. He then joined Université d’Evry as post-doctoral researcher and used NMR to solve the structure of small and medium-sized peptides. He moved to Bruker in 2007 as an application scientist, with a focus on liquid state NMR for small molecules.</p><p><strong>Presenter: </strong>Gary Sharman, PhD (Senior Scientific Director)</p><p>Gary studied Natural sciences at the University of Cambridge before completing a PhD with prof Dudley Williams on structural and mechanistic studies by NMR and MS. He spent 20 years in the pharmaceutical industry, working in analytical chemistry at AstraZeneca and Eli Lilly, where he developed a particular interest in data flows and visualisations. He moved to Mestrelab in 2020, where his role centres around automation, data processing and customisation.</p></blockquote>

Bruker: Analytical Data Processing: Get to know the new Bruker Chemist Suite

Analytical Data Processing: Get to know the new Bruker Chemist Suite

This webinar will give you preview on features of Bruker Chemist Suite

Analytical Data Processing: new Bruker Chemist Suite

<p><strong>Our colleague Dr.Pablo Monje, Applications Scientist at Mestrelab kindly answered your pre-filled questions about either of the following plugins: Mnova NMR, NMR Predict, MS and ElViS (Electronic and Vibrational Spectroscopies). Pablo showed you similar examples about the best practises using Mnova for your cases on a live demonstration.</strong></p><h5><strong>What to expect</strong></h5><ul><li>Aims to cover a fair amount of the submitted questions to help you increasing your data analysis efficiency using Mnova</li><li>Questions about Mnova NMR advanced plugins will be out of the scope for this workshop</li></ul><h5><strong>Key points</strong></h5><ul><li>Submit your questions about Mnova to our experts when filling in the registration form to our experts when filling in the registration form.</li><li>Watch live cases with examples of best practices and useful workflows, which may solve any doubts you may have about Mnova.</li></ul><h5><strong>Who Should Attend?</strong></h5><p>Researchers and analysts in pharma, biotech, fine chemicals and many more scientific fields in industry or academia who are curently using any of the following plugins Mnova NMR, NMR Predict, MS and ElViS or the whole Mnova Suite combo.</p><blockquote><p><strong>Presenter:</strong> Dr. Pablo Monje (Applications Chemist, Mestrelab Research)</p><p>Pablo Monje is an Applications Chemist at Mestrelab since February 2007. He received his B.S. in Organic Chemistry in 2001 at the University of Santiago de Compostela. From 2002 to 2006 he was a grant holder of the Spanish Ministry of Education and Culture (FPU). In 2004 he worked at the University of California, Berkeley and he returned to Spain to obtain his Ph.D. degree.</p><p><strong>Presenter: </strong>Dr. Chen Peng (VP of Business Development – US and Asia (Mestrelab Research))</p><p>Dr. Chen Peng is the Vice President of Business Development for North America and Asia at Mestrelab Research. He obtained his PhD from the Shanghai Institute of Organic Chemistry. Then he did post-doctoral research work on selective excitation NMR spectroscopy in Prof Geoffrey Bodenhausen’s group in the National High Magnetic Field Laboratory (Tallahassee, FL). Chen also spent some years working at Spectrum Research, MSI/Accelrys, and Bio-Rad Informatics until he joined Mestrelab Research in 2008.</p></blockquote>

Mestrelab Researchr: Mnova Suite workshop – Ask the expert!

Mnova Suite workshop – Ask the expert!

This workshop will give our existing Mnova customers the opportunity to submit in advance any questions or workflow improvements to our Mnova team

<div><div><div><div><div><div><div><div><div><p><strong>The need for high-resolution techniques is regarded as being urgent for Higher Order Structure (HOS:secondary, tertiary and quaternary structure) comparability and similarity assessment. Recently, new developments in acquisition and data analysis have emerged to establish NMR as a powerful tool for HOS characterization of intact molecules at natural abundance.</strong></p><p>The application of 1D and 2D NMR of the intact molecule at isotope natural abundance to routine analyses (characterization for comparability/similarity) will be presented. Fast 1D fingerprinting methods will give a quick answer if a batch is comparable to another or to the reference material. To identify changes at the amino acid level, 2D NMR methods are required. Results obtained from three real case studies will be discussed: a nanobody (40 kDa molecule in simple buffer) and two recombinant mAbs in a complex buffer (142 kDa and 177 kDa, respectively).</p><p>There is no single solution to the problem of evaluation of HOS. Techniques typically used for HOS characterization (CD, HDX-MS, fluorescence, FT-IR, thermal analysis by NanoDSC) measure different aspects of structure, either directly and indirectly. NMR offers superior resolution, sensitivity, and characterization of multiple structural aspects with a single experiment.</p><p><strong>What You Will Learn</strong></p></div><div><div><div><div><div><div><ul><li>How NMR provides a solution to the need for Atomic Resolution in HOS characterization;</li><li>How NMR can be applied to intact molecules at natural abundance, with acquisition times reasonable for routine analysis;</li><li>How NMR is a high precision analytical technique and produces data that is the ideal input for robust statistical tools required for HOS evaluation;</li></ul><p><strong>Who Should Attend</strong></p><p>This webinar will be of interest to those involved in the development and manufacturing of biologics and biosimilars, especially in their analysis, testing and quality control - analytical R&amp;D, QC, QA scientist and leaders seeking to enhance and optimize their analytical capabilities with cutting-edge, information-rich technology. Also relevant for academics developing analytical methods for the study of therapeutic drugs and those working in close collaboration with the biopharmaceutical industry.</p><blockquote><p><strong>Presenter: </strong>Dr. Fabio Baroni (Associate Researcher - Protein Chemistry Department – Physico-Chemical characterization Lab - Merck Serono S.p.A. - Guidonia Montecelio (Roma))</p><p>Dr. Fabio Baroni, biotechnologist by education, holds a PhD in structural biology from the University of Parma (Italy). He is specialized on NMR and spectroscopic techniques applied to protein characterization. In May 2017 he joined Merck Serono as associate researcher, in the Protein Chemistry Department (Rome site, Italy).</p><p><strong>Presenter: </strong>Dr. Christian Fischer (Product Manager of AssureNMR and BiologicsHOS - Senior Staff Scientist, MRS Application Development - Bruker BioSpin GmbH)</p><p>Dr. Fisher has a degree and a PhD in Chemistry from the University of Düsseldorf, Germany. He then joined Bruker in 1999 in the NMR Software Development group. After working on mixture analysis products, he moved into the MRS Application Development. Now he is Product Manager of AssureNMR and BiologicsHOS.</p></blockquote></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Bruker: Evaluation of Higher Order Structure of Biologics at Atomic Resolution using NMR

Evaluation of Higher Order Structure of Biologics at Atomic Resolution using NMR

The application of 1D and 2D NMR of the intact molecule at isotope natural abundance to routine analyses will be presented.

NMR for Atomic-Level Analysis of Biologic Structures

<div><div><div><div><div><div><div><div><div><p><strong>A number of reactions will be discussed, including the challenges faced in the trifluoromethylation reaction, which is sensitive and extremely fast, making it difficult to reliably control the reaction and measure the kinetics. Professor Lloyd-Jones will explain how SF-FT-IR and SF-NMR can be used to address this and enable rapid, reproducible monitoring, along with accurate temperature control.</strong></p><p>Professor Lloyd-Jones will also introduce InsightXpress, which he has developed in collaboration with TgK Scientific and Bruker and has been critical to understand the mechanisms of the Suzuki-Miyaura protodeboronation side reaction. The InsightXpress SF unit enables fast reactions to be monitored and reaction conditions to be automatically screened by NMR at unprecedented speeds. With the InsightXpress, not only is accurate temperature control possible, but large reagent volumes are not needed and mixing is so efficient that analysis can begin very shortly after the start of the reaction. Importantly, unlike classic SF systems, the concentration of the reagents can be varied rather than it being fixed in the initial set-up, which vastly broadens scope in terms of mapping out the kinetics and screening reaction conditions in process chemistry.</p><p>Professor Lloyd-Jones and team have also developed an SF-FT-IR system in collaboration with Bruker and TgK Scientific that will be introduced during the seminar. This device offers the same capabilities as the InsightXpress, but is interfaced with a VERTEX 80 Fourier transform infrared spectrometer instead of an NMR spectrometer.</p><p>The protodeboronation reaction will also be covered. This reaction, which is usually undesirable, reduces yields in Suzuki-Miyaura couplings. SF-NMR and SF-FT-IR have enabled mechanistic understanding of protodeboronation by allowing the concentration of reactants to be measured as a function of time when reactions are extremely fast and highly sensitive to pH. Using these techniques, it has been possible to accurately and rapidly initiate these reactions and maintain good control of pH so that they can be accurately monitored. Some of the reagents monitored by SF-IR have half-lives of milliseconds. These are reactions that would otherwise be over almost as soon as the reactants have been mixed.</p><h5><strong>Key Topics</strong></h5></div><div><div><div><div><div><div><ul><li>Understanding the basic principles of SF and how it can be improved to make a variable ratio SF system</li><li>How those SF systems have been interfaced with FT-IR and NMR spectrometers and the technical challenges and benefits</li><li>Example applications of how SF-IR and SF-NMR can be used</li></ul><h5><strong>Who Should Attend?</strong></h5></div></div></div></div></div><div><div><div><div><div><div><p>As well as welcoming the spectroscopy community in general, this webinar is aimed at any synthetic or process chemist in pharma, other industries and in academia who are interested in reaction understanding and optimization.</p><blockquote><p><strong>Presenter: </strong>Guy Lloyd-Jones (Forbes Professor of Organic Chemistry School of Chemistry University of Edinburgh Scotland)</p><p>Guy Lloyd-Jones studied Chemical Technology (BSc. 1989) at Huddersfield, and spent a year placement at ICI Pharmaceuticals (now AstraZeneca) in 1987. He obtained his doctorate in organic chemistry (D. Phil. 1992) at Oxford University under John Brown FRS, and conducted postdoctoral research (1993-1995) in asymmetric catalysis at Basel University, with Andreas Pfaltz. In 1996 he returned to the UK, to a lectureship at the University of Bristol and began to build a research group specialising in organic / organometallic stereochemistry, in particular applying NMR and isotopic labelling. He was promoted to Full Professor in 2003, held a Royal Society Wolfson Research Merit Award 2008- 2013, and was Head of Organic and Biological Chemistry at Bristol 2012-2013. In 2013 he moved from Bristol to The Forbes Chair of Organic Chemistry at the University of Edinburgh. In the same year was elected a fellow of the Royal Society (FRS) and and ERC Advanced Investigator. At Edinburgh he and his group continue to build their expertise in the study of reaction mechanism and reactivity relationships in the context of synthetic methodology and catalysis. Intrinsic to this is application and development of physical-organic chemistry methodologies, and associated instrumentation for its analysis.</p></blockquote></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Bruker: Improving Mechanistic Understanding of Fast Reactions Using Rapid, Reproducible in Situ Analysis by Stop-flow NMR and IR

Improving Mechanistic Understanding of Fast Reactions Using Rapid, Reproducible in Situ Analysis by Stop-flow NMR and IR

Prof. Lloyd-Jones shows how SF-FT-IR and SF-NMR allow fast, reproducible monitoring of sensitive reactions like trifluoromethylation with temp control.

ICPMS webinars focusing on NMR - page 7