Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)

Cathinones belong to a group of compounds of great interest in the new psychoactive substances (NPS) market. Constant changes to the chemical structure made by the producers of these compounds require a quick reaction from analytical laboratories in ascertaining their characteristics. In this article, three cathinone derivatives were characterized by X-ray crystallography. The investigated compounds were confirmed as: 1-[1-(4-methylphenyl)-1-oxohexan-2-yl]pyrrolidin-1-ium chloride (1, C17H26NO+·Cl−, the hydrochloride of 4-MPHP), 1-(4-methyl-1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride (2; C16H24NO+·Cl−, the hydrochloride of α-PiHP) and methyl[1-(4-methylphenyl)-1-oxopentan-2-yl]azanium chloride (3; C13H20NO+·Cl−, the hydrochloride of 4-MPD). All the salts crystallize in a monoclinic space group: 1 and 2 in P21/c, and 3 in P21/n. To the best of our knowledge, this study provides the first detailed and comprehensive crystallographic data on salts 1–3.

A multiplex protein panel assay determines disease severity and is prognostic about outcome in COVID-19 patients

Global healthcare systems continue to be challenged by the COVID-19 pandemic, and there is a need for clinical assays that can both help to optimize resource allocation and accelerate the development and evaluation of new therapies. Here, we present a multiplex proteomic panel assay for the assessment of disease severity and outcome prediction in COVID-19. The assay quantifies 50 peptides derived from 30 COVID-19 severity markers in a single measurement using analytical flow rate liquid chromatography and multiple reaction monitoring (LC-MRM), on equipment that is broadly available in routine and regulated analytical laboratories. We demonstrate accurate classification of COVID-19 severity in patients from two cohorts. Furthermore, the assay outperforms established risk assessments such as SOFA and APACHE II in predicting survival in a longitudinal COVID-19 cohort. The prognostic value implies its use for support of clinical decisions in settings with overstrained healthcare resources e.g. to optimally allocate resources to severely ill individuals with high chance of survival. It can furthermore be helpful for monitoring of novel therapies in clinical trials.

Simply Applicable Method for Microplastics Determination in Environmental Samples

Microplastics (MPs) have gained significant attention in the last two decades and have been widely researched in the marine environment. There are, however, less studies on their presence, routes of entry, and impacts on the biota in the soil environment. One of the main issues in the study of MPs is a lack of standardized methods for their identification in environmental samples. Currently the most commonly used techniques are thermal desorption gas chromatography–mass spectrometry (GC–MS) methods and pyrolysis followed by GC–MS. In this study, headspace-solid phase microextraction followed by GC–MS is proposed as a simple and widely applicable method for the determination of commonly present polymer MPs (polyethylene terephthalate, polystyrene, polyvinyl chloride, polyethylene, and polypropylene) in environmental samples, for analytical laboratories with basic equipment worldwide. The proposed method is based on the identification of compounds, which are formed during the well-controlled melting process of specific coarse (1–5 mm) and fine fraction (1 mm–100 μm) MPs. The method was upgraded for the identification of individual polymer type in blends and in complex environmental matrices (soil and algae biomass). The successful application of the method in complex matrices makes it especially suitable for widescale use.

Eurachem General Assembly and Scientific Workshop 2020

The Eurachem Week 2020 was scheduled for May 25–29, 2020 in Bucharest, Romania. As topic for the two-day workshop ' Quality Assurance Elements for Analytical Laboratories in the University Curriculum ' was selected by the organisers. Due to the COVID-19 pandemic the event had to be cancelled in March. In April the Executive Committee scheduled the General Assembly for May 27 and 28 and the Workshop for July 14 and 15, 2020 as electronic meetings. Both events were very well organized by Eurachem Romania.

Identification and Analytical Characterization of a Novel Synthetic Cannabinoid-Type Substance in Herbal Material in Europe

The rapid diffusion of new psychoactive substances (NPS) presents unprecedented challenges to both customs authorities and analytical laboratories involved in their detection and characterization. In this study an analytical approach to the identification and structural elucidation of a novel synthetic cannabimimetic, quinolin-8-yl-3-[(4,4-difluoropiperidin-1-yl) sulfonyl]-4-methylbenzoate (2F-QMPSB), detected in seized herbal material, is detailed. An acid precursor 4-methyl-3-(4,4-difluoro-1-piperidinylsulfonyl) benzoic acid (2F-MPSBA), has also been identified in the same seized material. After extraction from the herbal material the synthetic cannabimimetic, also referred to as synthetic cannabinoid receptor agonists or “synthetic cannabinoids”, was characterized using gas chromatography-mass spectrometry (GC-MS), 1H, 13C, 19F and 15N nuclear magnetic resonance (NMR) and high-resolution tandem mass spectrometry (HR-MS/MS) combined with chromatographic separation. A cheminformatics platform was used to manage and interpret the analytical data from these techniques.

Corporate accreditation system of PJSC Gazprom as a tool for ensuring uniformity of measurements of organization

The relevance of the research is predetermined by factors as the strengthening of the role of chemical analytical (testing) laboratories of gas transmission companies in the implementation of Gazprom’s PJSC strategy in the field of reliable and trouble-free transportation of natural gas and the need of testing laboratories to constantly confirm their impartiality and ability to carry out production tasks at a competent level. Protection of the interests of the consumer and the rights of the supplier is ensured by the accuracy of determining the quantity and quality indicators of the supplied products established in technical regulations, standards and by minimizing risks to life, human health and the environment on the basis of reliable measurements. The issue of the quality of measurement results is acute today. Depending on the direction of measurement processes and applications of the measurement results the shape of laboratories attestation has different requirements. All types of measurements carried out in an organization should be subject to mandatory or voluntary accreditation. Ensuring the competence of chemical analytical laboratories at Gazprom PJSC subsidiaries and companies of in the field of product conformity assessment is facilitated by the corporate accreditation system operating in accordance with Company Standard STO Gazprom 5.8-2020. Uniform requirements adapted to the industry specifics of activities and sufficient for reliable measurement results, encourage subsidiaries to become participants in the updated accreditation system. Gazprom Transgaz Kazan LLC acts as the research base. The object of the study is to ensure the uniformity of measurements through compliance with the accreditation criteria, the subject is the accreditation of a testing laboratory in the corporate system. The article considers the procedure and activities carried out by the testing laboratory during accreditation

Analytical capabilities of the Grand-2000 high-resolution spectrometer

The analytical characteristics of the new Grand-2000 high-resolution spectrometer with BLPP-4000 photodetectors were evaluated. The device was tested as part of the Grand-Potok complex, which consists of a spectrometer and an electric arc facility and is designed to analyze powder samples continuously brought into the plasma atomizer (free-burning arc in air). The characteristics of the new spectrometer were compared with those of the Grand spectrometer, which is widely employed in analytical laboratories. It is shown that the use of the Grand-2000 spectrometer to determine the concentration of elements in geological and industrial powder samples does not lead to an obvious improvement in the results. The threefold increase in the spectral resolution of the new spectrometer reduces spectral influences from interfering elements, but the relative systematic error both decreases and increases for different samples. This may indicate the influence of unaccounted-for factors, for example, non-optimal spectra processing algorithms for this device. The results obtained suggest good prospects for the use of the Grand-2000 spectrometer to determine the concentration of elements in samples with a complex spectrum, but they also indicate the need for further studies to determine the optimal parameters for processing spectra. In addition, the Grand-2000 spectrometer can be used to supplement and refine the existing database of the wavelengths of spectral lines.

Reference Centre for Identification and Control of Chemicals: Role and Place in the National System of Chemical Safety

In 2014 Ukraine accepted the OSCE proposal to develop an Integrated Chemical Safety and Security Program in Ukraine (ICSSP) aiming to develop a collaborative framework between the Ukrainian partners, the OSCE and the international partners for an effective and coordinated actions to ensure chemical safety and security. The main goal of the ICSSP program is to improve Ukraine’s ability to prevent, prepare for and respond to inappropriate handling of chemicals.Effective chemical safety will help to increase the level of protection of chemical materials, associated facilities and vehicles. ICSSP also had to ensure the implementation of modern solutions and coordinated approaches to strengthen the protection of critical infrastructure in Ukraine. A comprehensive review, conducted as the first step in the implementation of ICSSP, showed that the program should be aimed at introducing national activities in the field of chemical safety by a wide range of national authorities with a focus on the development of legislative and administrative measures for the implementation of United Nations Security Council Resolution 1540 in the chemical industry. Realization of the program objectives will provide: — creating a national (regional) Reference Centre for Identification and Control of Chemicals, able to make expert conclusions regarding hazardous chemicals and precursors quickly and reliably; — expanding opportunities to detect chemicals, conduct toxicological studies, including for the purpose of export control and forensic investigations, and the possibility to clarify the nature and characteristics of “unknown” chemicals; — improving capabilities of regional network of chemical analytical laboratories to identify toxic chemicals and ability to conduct joint research, as well as to train laboratory personnel and to exchange good laboratory practices. The National Reference Centre can serve as a model laboratory and national (regional) training platform for the dissemination of knowledge and best practices.It can help to solve regional problems, because the neighbouring countries Moldova, Georgia, Azerbaijan and even some EU countries also need such assistance. Key Words: chemical safety, Reference Centre, preventive toxicology.