Identification Of Substances Research Articles

Application of Chromatographic Technology to Determine Aromatic Substances in Tobacco during Natural Fermentation: A Review

Flavor is an important index to evaluate the sensory quality of tobacco. The process of fermentation is a key step in the production of aromatic substances in tobacco leaves and an important factor in improving their quality. Worldwide, reams of research show that chromatographic technology plays an irreplaceable role in the tobacco aromatic chemistry. Nevertheless, the degradation mechanism of latent aromatic compounds and the formation mechanism of characteristic aromatic substances have not been fully and systematically elucidated. In this study, the latest progress of basic methods, techniques, and research results of the separation, analysis, and identification of aromatic substances in fermented tobacco leaves were reviewed, and the next research and application directions were prospected. It is expected to provide theoretical reference for the study of molecular mechanism of tobacco flavor, reveal the degradation mechanism of potential aroma compounds, and help improve the quality of tobacco.

The Selection of “Green” Conditions for Components Identification in a Combined Medicine by TLC/HPTLC Methods

Aim. To select “green conditions” for identifying components in a combined medicine for the treatment of alcohol intoxication.Materials and methods. Thin-layer chromatography and high performance thin-layer chromatography methods were used. An analytical GREEnness calculator was applied to assess the environmental friendliness of the analytical procedure.Results and discussion. The choice of mobile and stationary phases that comply with the principles of “green chemistry” and can be used to detect glutamic acid and glycine in the composition of a combined medicine has been substantiated. It has been determined that by the indicators Rf, Rs, ΔRf, α, N, H the most effective for the division is the ethanol (96 per cent) – water (70:30) mobile phase (the length of the solvent front is 10 cm, the application volume is 5 μL), which allows, in addition to amino acids, to determine another prescription component – ascorbic acid. The conditions for identification of substances by the high-performance thin-layer chromatography method (the length of the solvent front is 7 cm, the application volume is 2 μL) have been selected. It has been found that to detect chromatographic zones, it is optimal to use ninhydrin solution R1 with further heating of the plate at a temperature of 100-105°С for 5 min. The specificity of determination of glutamic acid, glycine and ascorbic acid in comparison with solutions of standard substances has been proven. While studying the robustness of the method the influence of chromatographic conditions on the final result (the impact of the stationary phase type, chamber saturation, application volume, distance from the “start line” to the “finish line”, the effect of the detection solution, stability of solutions for application) has been researched. The precision of the method on one and three plates of the same type has been studied; the intermediate precision has been researched. The calculated assessment of greenness of the analytical procedure is 0.66.Conclusions. As a result of the studies conducted, “green conditions” for identifying amino acids (glutamic acid, glycine), as well as ascorbic acid in a combined medicine by thin-layer chromatography and high-performance thin-layer chromatography methods have been selected. The validation characteristics of the method (specificity, robustness and precision) have been studied.

Transfer of xenobiotics from contaminated beeswax into different bee matrices under field conditions and the related exposure probability

Beeswax is known to have a high capacity to accumulate different contaminants due to its fat-soluble properties. Many surveys in Europe and the USA have shown high levels of contamination in beeswax especially with acaricides used for varroa treatment. In this study, we investigated the transfer pathways of various active substances from beeswax into different matrices under field conditions. Honey, bee bread, larvae, and pupae samples were collected 6–8 weeks after building the experimental colonies on different charges of wax foundations. Identification and quantification of the target substances were performed with an established and validated multi-residue method using LC-MS/MS and GC-MS systems. Nine out of 19 active substances in wax could be detected in the analyzed matrices. Our results confirm the migration of different contaminants from wax into different bee matrices including honey, bee bread, and bee brood. The concentration of detected residues in the different matrices was significantly increased by increasing residue concentration in wax. Therefore, the maximum detected residues in the matrices were almost in wax containing high residual concentrations. Bee bread can be considered as the most important matrix due to relatively high detected concentrations and transfer ratios of the most contaminants. A significant effect of the lipophilicity of active substances on the transfer ratio into bee bread was found, which means that increasing the Log P values has positive effects on the transfer ratio. In conclusion, our results provide the first detailed information regarding the migration of active substances from wax into various matrices under realistic field conditions and are fundamentally important for assessing potential exposure and risks for honey bees.

Substance Detection and Identification Using Frequency Doubling of the THz Broadband Pulse

We propose and discuss an effective tool for substance detection and identification using a broadband THz pulse that is based on frequency conversion near the substance absorption frequencies. With this aim, we analyze the evolution of spectral intensities at the doubled absorption frequencies in order to prove their similarity to those at which the absorption of THz pulse energy occurs. This analysis is provided for both artificial THz signals and the real signals reflected from the substances under consideration. We demonstrate the feasibility of the proposed approach in the detection and identification of substances with an inhomogeneous surface, which is the most difficult case for practice, by using the method of spectral dynamic analysis and integral correlation criteria.

Identification and separation of chiral particles by focused circularly polarized vortex beams.

The identification and separation of chiral substances are of importance in the biological, chemical, and pharmaceutical industries. Here, we demonstrate that a focused circularly polarized vortex beam can, in the focal plane, selectively trap and rotate chiral dipolar particles via radial and azimuthal optical forces. The handedness and topological charge of the incident beam have strong influence on identifying and separating behavior: left- and right-handed circular polarizations lead to opposite effects on the particle of trapping and rotating, while the sign of topological charge will change the particle's rotation direction. Such effects are a direct result of the handedness and topological charge manifesting themselves in the directions of the spin angular momentum (SAM) and Poynting vector. The research provides insight into the chiral light-matter interaction and may find potential application in the identification and separation of chiral nanoparticles.

SENSORY PROPERTIES OF NANOCOMPOSITES OF ELECTROCONDUCTING POLYMERS TOWARDS TOXIC AND EXPLOSIVE VOLATILE COMPOUNDS

This work is devoted to the study of sensory properties of nanocomposites of electrically conductive polymers towards a number of phosphorus and organochlorine volatile compounds that are simulators of toxic gaseous substances, as well as nitroaromatic simulators of explosive organic substances. Gas sensitivity measurements were performed using an array of chemoresistive sensor microelectrodes covered with thin layers of these nanocomposites. The relative responses was at the level of 4–5%, the detection threshold depending on the type of analyzed toxic substances was from 10 to 100 ppm, the response rate was about 1 minute. The possibility of qualitative identification of toxic and explosive substances in a wide range of concentrations using the methods of statistical analysis of data from the sensory array has been demonstrated.

Non-permanent primary food packaging materials assessment: Identification, migration, toxicity, and consumption of substances.

Almost all processed food comes packaged in either plastic, glass, metal, or paper and paperboard materials, and many packaging materials are disposed of after a single use (linear economy). Based on the concept of a circular economy, the recycling of food packaging materials has become one of the main targets for industries and regulators around the world. However, recycling presents particular challenges, mainly related to the recycled material composition, which determines its reusability, application, functionality, and chemical safety. In this latter matter, it has been demonstrated that the use of recycled food packaging materials increases the number and possible sources of substances that could be present in the packaging material, which is of concern as substances that can migrate into food and cause health hazards upon consumption. This review compiles information regarding substances detected in non-permanent food packaging materials, focusing mainly on plastics, paper, and paperboards. The compilation of literature studies (110 research articles) on the presence of intentionally added substances (IAS) and non-intentionally added substances (NIAS) in food packaging materials, their migration, toxicity, and dietary exposure has been summarized, evaluated, and discussed. In addition, current sustainable food packaging trends have been mentioned. Finally, approaches to reduce the presence, migration, and potential exposure to substances that have migrated from packaging materials into food have been reviewed.

Green HPLC quantification method of lamivudine, zidovudine and nevirapine with identification of related substances in tablets

ABSTRACT A green HPLC method for lamivudine (3TC), zidovudine (AZT) and nevirapine (NVP) determination in fixed-dose combination tablets was developed using ethanol as both one of the mobile phases and the solvent for sample preparation. This method was validated according to ICH Q2(R1) guideline. Additionally, the method was adapted to complete the analysis of five related substances described in the International Pharmacopoeia (Ph. Int.), five other known related substances and two excipients. The separation was obtained with a C18 column (ARV4 5 µm 250 × 3.0 mm, Interchim) using a gradient mode with 0.1M ammonium acetate buffer (pH 4.5) and ethanol as mobile phase at 35°C, a flow rate of 0.4 mL/min, at 270 nm and an injection volume of 10 µL. The combination of ethanol (biodegradable and low-cost alternative solvent) with the use of a column diameter of 3 mm instead of 4.6 mm as used in pharmacopoeias, makes the wastes of the analysis more environmentally friendly and allows the use of a conventional HPLC pump (<400 bar) for easy implementation in quality control in countries with limited resources. Assessment of the method greenness was evaluated using three analytical tools: Analytical Eco-scale, AGREE metrics and Analytical Method Greenness Score (AMGS).

Identification of substances with a carcinogenic potential in spray-formulated engine/brake cleaners and lubricating products, available in the European Union (EU) – based on IARC and EU-harmonised classifications and QSAR predictions

Spray-formulated engine/brake cleaners and lubricating agents are widely used to maintain machines. The occupational exposure to their aerosols is evident. To assess the carcinogenic potential of these products, we identified such products available in the European Union (EU). We built a database with CAS numbers of 1) mono-constituent substances, and 2) multi-constituent-substances, and unknown-or-variable-composition,-complex-reaction-products-and-biological-materials (multi-constituent/UVCBs). The compositions of multi-constituent/UVCBs were unravelled with European Chemicals Agency (ECHA) registration dossiers. To identify carcinogenic potentials, we searched for 1) International Agency for Research on Cancer (IARC) classification; 2) Harmonised classifications in Annex VI to the EU classification, labelling and packaging (CLP) Regulation; and 3) whether they had a Danish Environmental Protection Agency advisory CLP self-classification based on quantitative structure-activity relationships (QSARs) for genotoxicity and carcinogenicity in the Danish (Q)SAR Database. In 82 products, we identified 332 mono-constituent substances and 44 multi-constituent/UVCBs. Six substances were either IARC 1 or 2B classified. Twelve mono-constituent substances and 22 multi-constituent/UVCBs had harmonised classifications as Carcinogenic Category 1A, 1B or 2, while nine substances fulfilled the QSAR-based advisory self-classification algorithms for mutagenicity or carcinogenicity. At the product level, 39 products contained substances of carcinogenic concern by either IARC, harmonised classification or QSAR. We conclude that in the investigated EU marketed spray-formulated engine/brake cleaners and lubricants, 24 of 332 mono-constituent substances and 28 of 44 multi-constituent/UVCBs had a carcinogenic potential. At the product level, 39 of 82 contained substances with an identified carcinogenic potential. Regulators and manufacturers can use this determination of carcinogenic potential to decrease occupational risk.

Determination of standardization parameters of Oxycoccus macrocarpus (Ait.) Pursh and Oxycoccus palustris Pers. Leaves

The aim. Extracts of cranberry large leaves have prospects when used to correct insulin-resistant conditions. There­fore, to create new drugs based on cranberry leaves, you need to develop instructions for cultivating the plant, harvesting raw materials and methods of quality control. Therefore, the aim of the research was to determine the pa­rameters of standardization of large cranberry leaves (Oxycoccus macrocarpus (Ait.) Pursh) and swamp cranberries (Oxycoccus palustris Pers.). Materials and methods. Macro- and microscopic studies of raw materials were performed according to the method of SPhU 2.8.23 “Microscopic examination of medicinal plant raw materials”. Macroscopic examinations were per­formed using a magnifying glass and MBS-9 binocular microscope. Identification of basic substances was performed by TLC, testing and quantification of flavonoids according to SPhU methods. Results. The morphological and anatomical features of the leaves of common cranberry and large cranberry were determined. The general features of the structure of stems and leaves species and different differences for each species are were revealed. TLC identification of the main BAS of raw materials was developed and standardization parameters were determined. Conclusions. The parameters of cranberry leaf standardization are determined by the following indicators: mac­ro-and microscopic features, TLC identification of the main BAS raw materials (hyperoside, rutin and caffeic acid), impurities (not more than 2 %), brown stems not more than 5 %, weight loss during drying (not more than 10 %), total ash (not more than 7 %) and not less than 1 % of flavonoids, in terms of hyperoside

Trends in hospital presentations following analytically confirmed synthetic cannabinoid receptor agonist exposure before and after implementation of the 2016 UK Psychoactive Substances Act.

The United Kingdom (UK) Psychoactive Substances Act (PSA), implemented on the 26th May 2016, made the production, supply and sale of all non-exempted psychoactive substances illegal. The aim of this study was to measure trends in hospital presentations for severe toxicity following analytically confirmed synthetic cannabinoid receptor agonist (SCRA) exposure before and after implementation of the PSA. Observational study. Thirty-four hospitals across the UK participating in the Identification of Novel Psychoactive Substances (IONA)study. A total of 627 (79.9% male) consenting individuals who presented to participating hospitals between July 2015 and December 2019 with severe acute toxicity and suspected novel psychoactive substances exposure. Toxicological analyses of patient samples were conducted using liquid-chromatography tandem mass-spectrometry. Time-series analysis was conducted on the monthly number of patients with and without analytically confirmed SCRA exposure using Poisson segmented regression. SCRAs were detected in 35.7% (n =224) of patients. After adjusting for seasonality and the number of active sites, models showed no clear evidence of an upward or downward trend in the number of SCRA exposure cases in the period before (incidence rate ratio [IRR], 1.12; 95% CI, 0.99-1.26; P = 0.068) or after (IRR, 0.97; 95% CI, 0.94-1.01; P= 0.202) the implementation of the PSA. There was also no clear evidence of an upward or downward trend in non-SCRA exposure cases before (IRR, 1.12; 95% CI, 0.98-1.27; P = 0.105) or after (IRR, 1.01; 95% CI, 0.98-1.04; P = 0.478) implementation of the PSA. There is no clear evidence of an upward or downward trend in the number of patients presenting to UK hospitals with severe acute toxicity following analytically confirmed synthetic cannabinoid receptor agonist exposure since the implementation of the Psychoactive Substances Act.

Identification of active substances from Traditional Chinese Medicine: state-of-the-art and perspectives

<p indent="0mm">Traditional Chinese medicine (TCM) has demonstrated unique advantages in the prevention and treatment of chronic and complex diseases such as cardiovascular and cerebrovascular diseases and diabetes. It has also played a major role in the fight against sudden infectious diseases such as COVID-19. Therefore, how to quickly identify effective constituents from the complex system is the most critical issue in the study of modernization of TCM. Based on this, this article summarizes the rapid identification strategies and multiscale screening models, which provides ideas for analyzing the scientific connotation and explaining the mechanism of TCM.

Communicating Confidence of Per- and Polyfluoroalkyl Substance Identification via High-Resolution Mass Spectrometry.

Per- and polyfluoroalkyl substances (PFASs) are important environmental contaminants, yet relatively few analytical reference standards exist for this class. Nontarget analyses performed by means of high-resolution mass spectrometry (HRMS) are increasingly common for the discovery and identification of PFASs in environmental and biological samples. The certainty of PFAS identifications made via HRMS must be communicated through a reliable and harmonized approach. Here, we present a confidence scale along with identification criteria specific to suspect or nontarget analysis of PFASs by means of nontarget HRMS. Confidence levels range from level 1a—“Confirmed by Reference Standard,” and level 1b—“Indistinguishable from Reference Standard,” to level 5—“Exact Masses of Interest,” which are identified by suspect screening or data filtering, two common forms of feature prioritization. This confidence scale is consistent with general criteria for communicating confidence in the identification of small organic molecules by HRMS (e.g., through a match to analytical reference standards, library MS/MS, and/or retention times) but incorporates the specific conventions and tools used in PFAS classification and analysis (e.g., detection of homologous series and specific ranges of mass defects). Our scale clarifies the level of certainty in PFAS identification and, in doing so, facilitates more efficient identification.

Thermaldesorptionambientionizationmass spectrometryforemergencytoxicology.

In the emergency department, it is important to rapidly identify the toxic substances that have led to acute poisoning because different toxicants or toxins cause poisoning through different mechanisms, requiring disparate therapeutic strategies and precautions against contraindicating actions, and diverse directions of clinical course monitoring and prediction of prognosis. Ambient ionization mass spectrometry, a state-of-the-art technology, has been proved to be a fast, accurate, and user-friendly tool for rapidly identifying toxicants like residual pesticides on fruits and vegetables. In view of this, developing an analytical platform that explores the application of such a cutting-edge technology in a novel direction has been initiated a research program, namely, the rapid identification of toxic substances which might have caused acute poisoning in patients who visit the emergency department and requires an accurate diagnosis for correct clinical decision-making to bring about corresponding data-guided management. This review includes (i) a narrative account of the breakthrough in emergency toxicology brought about by the advent of ambient ionization mass spectrometry and (ii) a thorough discussion about the clinical implications and technical limitations of such a promising innovation for promoting toxicological tests from tier two-level to tier one level.

Trace residue identification, characterization, and longitudinal monitoring of the novel synthetic opioid β-U10, from discarded drug paraphernalia.

Empirical data regarding dynamic alterations in illicit drug supply markets in response to the COVID‐19 pandemic, including the potential for introduction of novel drug substances and/or increased poly‐drug combination use at the “street” level, that is, directly proximal to the point of consumption, are currently lacking. Here, a high‐throughput strategy employing ambient ionization‐mass spectrometry is described for the trace residue identification, characterization, and longitudinal monitoring of illicit drug substances found within >6,600 discarded drug paraphernalia (DDP) samples collected during a pilot study of an early warning system for illicit drug use in Melbourne, Australia from August 2020 to February 2021, while significant COVID‐19 lockdown conditions were imposed. The utility of this approach is demonstrated for the de novo identification and structural characterization of β‐U10, a previously unreported naphthamide analog within the “U‐series” of synthetic opioid drugs, including differentiation from its α‐U10 isomer without need for sample preparation or chromatographic separation prior to analysis. Notably, β‐U10 was observed with 23 other drug substances, most commonly in temporally distinct clusters with heroin, etizolam, and diphenhydramine, and in a total of 182 different poly‐drug combinations. Longitudinal monitoring of the number and weekly “average signal intensity” (ASI) values of identified substances, developed here as a semi‐quantitative proxy indicator of changes in availability, relative purity and compositions of street level drug samples, revealed that increases in the number of identifications and ASI for β‐U10 and etizolam coincided with a 50% decrease in the number of positive detections and an order of magnitude decrease in the ASI for heroin.

Проблемы дифференциации оружия нелетального действия и специальных средств правоохранительных органов (криминалистический и судебно-медицинский аспекты)

Introduction. The article touches upon the topical issues of forensic weapon study connected to the necessity for differentiating so called non-lethal weapon and law enforcement services special tools as well. Theoretical analysis. The lack of any criteria for group pertaining identification of such articles, devices or substances creates many legal conflicts. These collisions, in their turn, hamper adequate criminal evaluation and regulation of their circulation in civil, military and law enforcement realms and development of the schemes and requirements for measuring the optimality of non-lethal weapon kill effects and specific qualities of lawenforcement special services tools, which provokes unbiased difficulties in managing certified diagnostic medico-biological tests. Empirical analysis. The category of destruction means, conventionally referred to as non-lethal weapons, should be considered as a classification subgroup in the common system of forensic weapon classification. The determinant features of this category of weapons, that is called “firearms of limited destruction” for its firearm version, should be the compliance with the forensic definition of the weapon as a means specially designed and technically suitable for hitting a living or other target and having no direct purpose in everyday life or production; ensuring the minimum probability of causing permanent damage to health, life, property, and the environment; intended use for temprorary deprivation of the enemy’s manpower of the ability to attack or resist. Result. There is a need for more profound and detailed research into forensic and medico-biological aspects of the circulation of weapons of limited destruction for military and police purposes and for self-defense.

Comparative Study of Sample Carriers for the Identification of Volatile Compounds in Biological Fluids Using Raman Spectroscopy.

Vibrational spectroscopic techniques and especially Raman spectroscopy are gaining ground in substituting the officially established chromatographic methods in the identification of ethanol and other volatile substances in body fluids, such as blood, urine, saliva, semen, and vaginal fluids. Although a couple of different carriers and substrates have been employed for the biochemical analysis of these samples, most of them are suffering from important weaknesses as far as the analysis of volatile compounds is concerned. For this reason, in this study three carriers are proposed, and the respective sample preparation methods are described for the determination of ethanol in human urine samples. More specifically, a droplet of the sample on a highly reflective carrier of gold layer, a commercially available cuvette with a mirror to enhance backscattered radiation sealed with a lid, and a home designed microscope slide with a cavity coated with gold layer and covered with transparent cling film have been evaluated. Among the three proposed carriers, the last one achieved a quick, simple, and inexpensive identification of ethanol, which was used as a case study for the volatile compound, in the biological samples. The limit of detection (LoD) was found to be 1.00 μL/mL, while at the same time evaporation of ethanol was prevented.

Electrocatalytic enhancement of [Ru(bpy)3]2+ electrochemiluminescence for gemcitabine detection toward precision measurement via gold nanoparticle addition

With a rise in the development and subsequent employment of precision medicine, their lies an immediate necessity for the development of technology to enable the implementation of such treatment plans into the healthcare environment. Electrochemistry stands to offer one of the most viable techniques for such technologies given its success within current medical devices. One electrochemical technique, electrochemiluminescence (ECL), warrants investigation. Previously we have determined the inability to reliably detect cancer therapy gemcitabine via traditional ruthenium based ECL. Here we demonstrate how the addition of gold nanoparticles into the ECL film can promote GMB detection via enhanced electrocatalytic oxidation, generating the required ECL radicals. Via this approach we have been able to improve the ECL signal intensity 60-fold and achieve detection down to 6.25 µM across a linear range of 6.25–50 µM. Which lies within the therapeutically relevant range. This approach has successfully addressed the prior limitations encountered for the employment of traditional ruthenium based ECL for substance identification, where species exhibit limited electro-activity and suffer from electrochemically induced side reactions.

An integrated approach for investigating pharmacodynamic material basis of Lingguizhugan Decoction in the treatment of heart failure

Ethnopharmacological relevanceAs a classical formula of traditional Chinese medicine (TCM), Lingguizhugan Decoction (LGZGD) has been used for treating heart failure (HF) because it has an efficiency of yang-warming and fluid-dispersing. However, the pharmacodynamic material basis of LGZGD responsible for the therapeutic benefits is not well understood. Aim of the studyThe aim of this study was to elucidate the pharmacodynamic material basis of LGZGD by an integrated approach. Materials and methodsFollowing oral administration of LGZGD in mice, ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) was used to identify prototype substances. A heart failure (HF) model was established, followed by an untargeted metabolomics study to determine potential targets of LGZGD. The network pharmacology method was performed to screen substances that interacted with potential targets of LGZGD treating HF. Molecular docking technology was applied to further screen substances based on binding energy. Cell viability assays were conducted to verify pharmacodynamic effects of selected substances. ResultsIn all, forty-two prototype substances were identified in the blood, urine, and fecal samples of mice. A total of fifty-five differential metabolites were identified using heart tissue untargeted metabolomics. Twenty-five substances of LGZGD were screened relating to thirty-three targets treating HF. Twenty-two substances were filtered according to their binding energy using molecular docking technology. Cell experiments revealed cinnamaldehyde, glycyrrhetinic acid, kaempferol, daidzein, caffeic acid, and catechin could significantly improve the survival rate of H9c2 cells, which might be the pharmacodynamic material basis of LGZGD. ConclusionsA scientific approach that integrated in vivo substances identification, metabolomics, network pharmacology, molecular docking, and cell pharmacodynamic assay has been developed to study the pharmacodynamic material basis of LGZGD in the treatment of HF.

Encompassing Chaos in Brain-inspired Neural Network Models for Substance Identification and Breast Cancer Detection

Encompassing Chaos in Brain-inspired Neural Network Models for Substance Identification and Breast Cancer Detection