Marker Substances Research Articles

Chemical Assessment of Real Driving Tire and Road Wear Particles in Urban and Suburban Seoul, Korea

Extensive research about non-exhaust fine particles from tires and brakes in vehicles has been reported, focusing on the significant effects on air pollution and human harm. Significant investigations are still needed in determining the cause of influence on the environment and human health. The regulations on emissions have been discussed in earnest, starting with the introduction of brake wear particle emission standards in Euro 7. Various indoor and outdoor experiments have been conducted, such as analysis of the amount of wear on tires and brakes, and analysis of the physical and chemical properties of fine particles, and the effect of non-exhaust fine wear particles on the atmosphere and human health, as fundamental data for the introduction of emission standards and the development of low-wear tires and brakes to meet regulations. Recently, international standardized indoor experimental methods for brakes have been announced, and indoor and outdoor experimental methods for tires have been continuously studied to develop international standardized methods. In particular, tire and road wear particles, including brake wear particles, are usually mixed with each other in the non-exhaust particles from a vehicle driving on real roads, and in-depth research is being performed on their accurate classification and characteristic analysis. In this study, the characteristics of the volatile organic compounds and marker substances for tire and tire and road wear particles were analyzed. A system was installed on the vehicle to collect non-exhaust wear fine particles from the vehicle running on two different roads, urban and suburban, of the Seoul area, and the proving ground road. The specific findings are as follows: (1) From the chemical analysis of the volatile organic compounds, high n-hexane and n-dodecane were measured in the tire–road-wear particles. (2) The volatile organic compound species in the PM2.5 (aerodynamic diameter ≤ 2.5 µm) increased as the vehicle velocity increased. (3) For the PM10 (aerodynamic diameter ≤ 10 µm), high volatile organic compound species were recorded at 40 km/h of the vehicle velocity. (4) This study also revealed that higher vinylcyclohexene and dipentene were measured in the particle size below 10 μm than those in PM2.5.

QUALITY MARKERS FOR WATER FROM VENDING MACHINES AND SPRINGS

It is known that the quality of drinking water has a strong impact on the health of modern people. This largely depends on the chemical and microbiological composition of the water consumed. At present, there is no established list of marker indicators to enable conclusions to be drawn about the safety of drinking water from a range of different sources in a minimum timeframe. The paper presents the results of chemical and microbiological analysis of water samples from vending machines of various brands and springs located in the city of Ivanovo and the Ivanovo region. The results show the non-compliance of these types of water with established standards for the period of study under consideration. In the course of identifying marker substances based on the data obtained, regression and correlation analyzes were carried out to characterize the chemical composition of water from the proposed sources. Processing of the obtained dependencies of the content of a particular pollutant on time for springs was carried out by polynomials of the 8th and 9th orders, and for vending machines - by polynomials of the 3rd and 4th orders. Trend equations for these dependencies were also obtained. Conclusions are drawn about the possibility of using the statistical processing methods under consideration, the presence or absence of a stochastic relationship between all analyzed components is determined, a list of indicators is presented, between which it is possible to trace the interdependence of content in the types of water under consideration. The list of chemical substances that can be considered as marker indicators for water from water mats and springs is given, as well as the maximum permissible concentrations of the proposed substances. For citation: Tsvetkov A.S., Buymova S.A., Bubnov A.G. Quality markers for water from vending machines and springs. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2024. V. 67. N 12. P. 113-122. DOI: 10.6060/ivkkt.20246712.7059.

The HPLC-PDA Method for Simultaneous Determination of Regalosides from Bulbs of Lilium lancifolium Thunb. and Their Antioxidant Effects.

Lilium lancifolium Thunb. is a herbal medicine that is widely used to treat inflammation and lung diseases. In this study, a simultaneous quantitative method was developed for the quality control of BLL using high-performance liquid chromatography coupled with a photodiode array detector (HPLC-PDA), and their antioxidant effects were evaluated. Eight regalosides (i.e., regaloside A, B, C, E, F, H, I, and K) were selected as marker substances and separated on a Gemini C18 reversed-phase analytical column by gradient elution with distilled water-acetonitrile mobile phase containing 0.1% (v/v) formic acid. The method was validated with respect to linearity, sensitivities (limit of detection (LOD) and limit of quantitation (LOQ)), accuracy, and precision. The antioxidant effects of the extract and each component were evaluated using the 2,2-diphenyl-1-picrylhydrazyl radical scavenging assay and 2-2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) assay. The coefficients of determination values used as indicators of linearity for all components were ≥0.9999. LOD and LOQ concentrations were 0.10-0.66 μg/mL and 0.29-2.01 μg/mL, respectively. The recovery was 95.39-103.925% (relative standard deviation; RSD ≤ 2.55%), and precision RSD was <2.78%. The HPLC-PDA method was applied to real samples, and all components were detected at 1.12-29.76 mg/freeze-dried g. The evaluation of antioxidant effects showed that regalosides C, E, and K exhibited significant antioxidant effects. Our knowledge will be appropriately utilized in raw material management and conducting clinical and non-clinical studies on L. lancifolium or herbal medicine prescriptions containing L. lancifolium.

Evaluating the efficacy of ultrasound-assisted extraction of Plantago major L. leaves by response surface methodology through determination of aucubin levels

Plantago major L. (Plantaginaceae) contains bioactive phytochemicals supporting its wide array of pharmacological activities. Aucubin, a bioactive iridoid glycoside found in P. major, has been used as a marker substance for quality control. This study’s objective was to assess the efficacy of ultrasound-assisted extraction (UAE) on P. major leaf extracts based on the aucubin level. The response surface methodology (RSM) was employed to investigate the impact of process parameters on the UAE. The compound’s studies were developed and validated by the utilization of high-performance liquid chromatography coupled to photodiode array (HPLC-PDA). Four independent variables were studied: extraction temperature (°C), extraction time, ethanol concentration (%), and ratio of solute to solvent. The analytical method used HPLC-PDA to quantify the aucubin content as the dependent variable. The study’s findings indicate that the most favorable conditions for UAE were attained at a temperature of 20°C for 20 min, an ethanol concentration of 25%, and a ratio of 1:5 g/mL. The HPLC-PDA approach that has been verified demonstrates its efficacy as a technique for quantifying the concentration of aucubin in the extract of P. major leaves. The obtained experimental values (5.736% mg/g) for the aucubin content, under the optimal conditions of UAE, exhibited a satisfactory level of concurrence with the values predicted by the RSM (5.774% mg/g). This finding showed that UAE and RSM can be developed as an efficient extraction method for P. major leaves.

Effects of Aging in Wood Casks on Anthocyanins Compositions, Volatile Compounds, Colorimetric Properties, and Sensory Profile of Jerez Vinegars

The Jerez (Sherry) vinegars, including Vinagre de Jerez, Reserva, and Gran Reserva, are crafted from Sherry wines and are protected under the Denomination of Origin in Spain. The aim of this study was to (i) characterize the physicochemical properties and composition; (ii) investigate the impact of the aging process on color properties, phenolics, volatile compounds, and sensorial profiles; and (iii) find a marker for tracing the authenticity of non-aged (Apto) and aged Jerez vinegars. The phenolic components were identified through LC-MS/MS, whereas the volatile compounds were examined using the GC-MS/MS technique. As the aging progressed, a decrease was observed in the levels of flavonol and phenolic acids, with anthocyanin components being undetectable in non-aged and aged samples. In the Gran Reserva variety, 2-methylbutyl acetate, acetic acid, and ethanol emerged as the predominant volatile substances. The presence of oaklactone and ethyl butanoate components served as marker substances to authenticate the Gran Reserva. Additionally, alterations in color properties were noted, marked by a decrease in yellow content and an increase in the red component depending on aging. Furthermore, novel sensory descriptors, such as vanilla, clove, woody, and nutty notes, and winy character emerged in the samples with prolonged aging.

Analytical Method Development, Validation, and Estimation of Lupeol, Quercetin, Vasicine in Polyherbal Formulations and Selected Plant Species by using UFLC-MS

Background: Kabusura kudineer (KSK) is a marketed Siddha-based polyherbal formulation, and on the authority of the Govt of India, the Ministry of Ayush recommended Kabusura kudineer in the therapy of COVID-19, and due to its immuno-booster effects. Based on the “Kabusura kudineer” (KSK) formulations, we developed a “Hydaljss08” polyherbal formulation composed of 16 dried crude materials and 03 fresh forms. Both formulations contain active phytopharmaceuticals such as vasicine, quercetin, and lupeol and these are responsible for anti-viral and immunomodulatory effects, which may be due to their synergistic and additive effects. The chemical nature of vasicine is an alkaloid, quercetin is a flavonoid, and lupeol is a pentacyclic triterpenoid. Aim: The current study aims to develop and validate the analytical process for assessing vasicine, quercetin, and lupeol in both dosage forms and in a selected plant species by UFLC-MS. Methods: The ultrafast liquid chromatography study was designed by the columns of Inertsil C8, and Inertsil C18, individually, for vasicine, quercetin, and lupeol respectively. The columns and mobile phase were used as a water C18, 20 mM phosphate buffer pH 2.5: acetonitrile in a combined UFLC method development of vasicine, quercetin, and lupeol. Results: A calibration curve and adequate linearity were recorded for vasicine, quercetin, and lupeol by injecting 20.0-60.0 μg/ml, 50.0-150.0 μg/ml, and 25.0-75.0 μg/ml of marker substances. The LOD, and LOQ of the vasicine, quercetin, and lupeol were found to be 1.19, 3.60, 3.80, 11.51, 1.79, and 5.41 μg/ml, and the Ruggedness value of vasicine, lupeol, and quercetin was found in % RSD 0.4%, 0.1%, and 0.1%. Conclusion: The developed and validated method showed good linearity with a range of correlation coefficients, new, simple, novel, accurate, specificity, precision, robustness, and ruggedness are within the limits.

Industrial environmental control of polycyclic aromatic hydrocarbons in organic fuel combustion product

RELEVANCE of this study lies in the computational justification of the choice of the installation location of a multipoint sampling probe in the measuring section of the flue of boiler plants of energy enterprises and thermal power plants that have a significant negative impact of emissions on the environment, in order to increase the reliability and representativeness ofinstrumental measurements during industrial environmental control (PEC) of polluting emissions (PE). PURPOSE. Improving the environmental safety of thermal power plants in the current conditions of the introduction of state principles of technological regulation of emissions is associated with the establishment of technological emission indicators for each source of atmospheric pollution at energy enterprises with a significant negative impact on the environment. In this regard, energy enterprises should carry out round-the-clock monitoring of PE, which requires reliable instrumental control of the content of marker substances in the combustion products of power boilers by determining a representative sampling point on the flue or chimney of an energy boiler installation. METHODS. The paper uses methods of computer simulation of gas dynamics to determine the local fields of concentration of PE and flow velocity and assess their unevenness in the flue of an energy boiler. RESULTS. Using the example of an operating energy boiler plant of a thermal power plant, a control section of the flue was determined to ensure industrial environmental control of marker substances in the combustion products of organic fuels. The average values of the concentration of PE and the flow rate of combustion products of local fields in the calculated sections and their values on the longitudinal axis of the boiler flue are determined, and their uneven distribution is estimated. CONCLUSION. The obtained research results can be used at energy enterprises and thermal power plants to justify the choice of a control representative measuring section for conducting a PEC, and to develop an environmental efficiency improvement program (EEIP).

Exploring the potential of high-resolution LC-MS in combination with ion mobility separation and surrogate minimal depth for enhanced almond origin authentication

Almonds (Prunus dulcisMill.) are consumed worldwide and their geographical origin plays a crucial role in determining their market value. In the present study, a total of 250 almond reference samples from six countries (Australia, Spain, Iran, Italy, Morocco, and the USA) were non-polar extracted and analyzed by UPLC-ESI-IM-qToF-MS. Four harvest periods, more than 30 different varieties, including both sweet and bitter almonds, were considered in the method development. Principal component analysis showed that there are three groups of samples with similarities: Australia/USA, Spain/Italy and Iran/Morocco. For origin determination, a random forest achieved an accuracy of 88.8 %. Misclassifications occurred mainly between almonds from the USA and Australia, due to similar varieties and similar external influences such as climate conditions. Metabolites relevant for classification were selected using Surrogate Minimal Depth, with triacylglycerides containing oxidized, odd chained or short chained fatty acids and some phospholipids proven to be the most suitable marker substances. Our results show that focusing on the identified lipids (e. g., using a QqQ-MS instrument) is a promising approach to transfer the origin determination of almonds to routine analysis.

Determination of markers of lifetime use of substances containing ricin

BACKGROUND: The problem of establishing the fact of acute and lethal poisoning with cytotoxic substances currently remains an urgent task for forensic medical examination. Ricin belongs to this group of substances and is the most toxic representative, which can have irreversible health consequences if ingested into the human body.&#x0D; AIM: development of a rapid analysis technique for detecting marker substances when establishing the fact of ricin poisoning in biological objects for the purposes and tasks of forensic medical examination.&#x0D; MATERIALS AND METHODS: We have described optimal conditions for isolating ricinin and ricinolic acid, as markers of the presence of ricin, from blood and urine for further investigation by modern chromatographic methods (HPLC/MS/MS and GC/MS/MS).&#x0D; RESULTS: According to the results of the study, an express method for the detection of ricinin and ricinoleic acid in biological fluids, castor oil and castor seeds has been developed, which requires only 200 l of biological fluid. Chromatographic and mass spectrometric characteristics were determined for the subsequent identification of ricinin and ricinolic acid. The authors have established the presence of toxic ricinin in the products of processing of castor seeds, which can be a causal cause of poisoning of people.&#x0D; CONCLUSION: For the first time, an express technique of forensic chemical and chemical-toxicological examination of ricin poisoning by chromatographic methods - HPLC/MS/MS and GC/MS/MS, based on the determination of marker substances in biological objects ― ricinin and ricinolic acid, is presented.

Identification of tropical wood species in paper: a new chemotaxonomic method based on extractives

Abstract The European Deforestation Regulation 2023/1115 (EUDR) prohibits trading of wood and wood products obtained from illegal logging on the EU market. While the identification of solid wood via anatomy, chemistry and genetics has already been established, there is a lack of identification methods for pulp and paper that complement anatomy. This publication presents a newly developed chemotaxonomic method for identifying mixed tropical hardwood (MTH) species in pulp and paper products based on their extractives analyzed with thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS). The measured data was processed and compared to identify marker substances and was then merged into a fingerprint database for identifying MTH species in paper of unknown composition. As database references, fully bleached kraft pulps were produced from 38 anatomically identified wood samples and then cryo-ball milled and extracted successively with n-hexane and acetone. The results show that the remaining wood extractives generated from bleached pulps are specific enough to find chemical relevant marker substances to detect MTH species. As chemical composition and anatomy are independent characteristics of wood, this paper makes a completely independent method available, which potentially improves the screening for Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES) protected species.

Discriminant Analysis of Aroma Differences between Cow Milk Powder and Special Milk Powder (Donkey, Camel, and Horse Milk Powder) in Xinjiang Based on GC-IMS and Multivariate Statistical Methods.

In order to explore the aromatic differences between Xinjiang cow milk powder and specialty milk powder (donkey, camel, and horse milk powder), Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) analysis was employed to investigate the volatile compounds in these four types of milk powders. A total of 61 volatile substances were detected, with ketones, aldehydes, and alcohols being the primary flavor components in the milk powders. While the aromatic components of the different milk powders showed similarities in terms of types, there were significant differences in their concentrations, exhibiting distinct characteristics for each type. The Partial Least Squares Discriminant Analysis (PLS-DA) showed that there were 15, 14, and 23 volatile compounds that could be used for discrimination of cow milk powder against specialty milk powders, respectively. And it was validated by Receiver Operating Characteristic (ROC) analysis, and finally, 8, 6, and 19 volatile compounds were identified as valid differential marker substances. To facilitate visual discrimination between the different milk powders, we established GC-IMS fingerprint spectra based on the final discriminant markers. These studies provide theoretical guidance for the application of volatile compounds to discriminate adulteration of milk powder marketed in Xinjiang.

Matrix Effects of Urine Marker Substances in LC-MS/MS Analysis of Drug of Abuse.

Analysis of drug abuse is frequently performed using high-performance liquid chromatography with an MS/MS detector and electrospray ionization. In this context, matrix effects, like signal reduction by ion suppression of individual analytes, play an important role. In this study, the authors evaluated the matrix effect caused by polyethylene glycol (PEG) with chain lengths ranging from 6 to 12 repeating units in drug analysis by LC-MS/MS. Selected chain lengths were used in the Ruma urine marker system. Amphetamines, opiates, opioids, antidepressants, psychotics, benzodiazepines, z-substances, and individual drugs, including THCCOOH, cocaine, LSD, and some of their metabolites were investigated. The matrix effect was investigated at PEG concentrations of 500 mcg/mL and 20 mcg/mL. The effect of each PEG molecule was determined. Furthermore, the effects of different common sample preparations on the PEG matrix effects were evaluated. There was a strong correlation between the retention time of PEG and the drug that was ion-suppressed by PEG. The matrix effect decreased to the point where it was within an acceptable range at the lower PEG concentrations investigated in this study. Matrix effects were observed for drugs with approximately the same retention times as the individual PEGs. The influence of the different workup methods was not as clear, which may be because of the similar solubilities of the PEGs and some analytes. At low PEG concentrations, the matrix effect was always below 60%, except for nortilidine. All the drugs were detectable. The effect on quantification was less than 15% for substances with deuterated analytes as internal standards and less than 32% for analytes without their own internal standards.

Ecological Zoning of the Baikal Basin Based on the Results of Chemical Analysis of the Composition of Atmospheric Precipitation Accumulated in the Snow Cover

This research used the geostatistical analysis of snow cover samples taken in 2017–2022 in the Baikal basin. Groups of snow cover pollution sources were identified by the method of empirical Bayesian kriging (ArcMap software) and mathematical data processing. The studied area was divided into fourteen districts. Geovisualization of marker substances accumulated in the snow cover allowed for the zoning of the studied area according to the degree of anthropogenic load. It was revealed that the atmospheric pollution of the territory from local sources extended for tens of kilometers along the prevailing wind direction. The maximum concentrations of anthropogenic aerosols in the snow cover were determined in towns that were sources of pollution and near settlements located on the coast of Lake Baikal and at the Selenga River mouth. The industrial centers of the region and the southern basin of Baikal, being affected by the air emissions from the Irkutsk agglomeration, were determined to be the most susceptible to anthropogenic pollution. The middle and northern basins could be attributed to the background regions being affected only by local heating sources and the natural background. The main atmospheric pollutants and the areas of their distribution were established. The main sources of snow cover pollution in the region, in addition to the natural background, were emissions from thermal power plants and motor vehicles.

Mass emissions of polycyclic aromatic hydrocarbons during fuel combustion in thermal power plant boilers

RELEVANCE of this study lies in the establishment of technological indicators of emissions of benz(a)pyrene into the atmosphere to assess the degree of negative impact of energy enterprises on the environment and the development on this basis of primary (air protection) measures, inventory of emissions ofpollutants, collection and preparation of initial environmental information for the effective implementation of the principles of technological regulation of emissions in the domestic thermal power industry. THE PURPOSE. The technological features of the formation of polycyclic aromatic hydrocarbons, in particular benz(a)pyrene, in the furnaces of power boilers burning organic fuel are considered. The regime factors significantly influencing the intensity of the formation of benz(a)pyrene as the most carcinogenic and mutagenic impurity influe gases have been determined. As part of the implementation of the principles of technological rationing of polluting marker substances, energy enterprises should determine the mass emission of highly toxic combustion products to improve the environmental performance of combustion processes and establish technological emission indicators. METHODS. Determination of mass emissions of polycyclic aromatic hydrocarbons was carried out using methods of mathematical statistics, processing of environmental information, system analysis of data and processing of the results obtained. RESULTS. Analytical expressions have been developed to determine the content of benz(a)pyrene in the combustion products of coal and anthracite. The values of mass emissions of benz(a)pyrene for inventory and justification of technological rationing of carcinogenic and mutagenic substances at energy enterprises have been determined. CONCLUSION. The results obtained are recommended to be used for a preliminary assessment of the content of benz(a)pyrene in the flue gases of boilers at power plants at the stage of collecting and preparing information for the introduction of technological rationing of highly toxic substances and the assessment of technological emission indicators.

Gelatin methacrylate hydrogel with drug-loaded polymer microspheres as a new bioink for 3D bioprinting

3D bioprinted hydrogel constructs are advanced systems of a great drug delivery application potential. One of the bioinks that has recently gained a lot of attention is gelatin methacrylate (GelMA) hydrogel exhibiting specific properties, including UV cross-linking possibility. The present study aimed to develop a new bioink composed of GelMA and gelatin modified by addition of polymer (polycaprolactone or polyethersulfone) microspheres serving as bioactive substance carriers. The prepared microspheres suspension in GelMA/gelatin bioink was successfully bioprinted and subjected to various tests, which showed that the addition of microspheres and their type affects the physicochemical properties of the printouts. The hydrogel stability and structure was examined using scanning electron and optical microscopy, its thermal properties with differential scanning calorimetry and thermogravimetric analysis and its biocompatibility on HaCaT cells using viability assay and electron microscopy. Analyses also included tests of hydrogel equilibrium swelling ratio and release of marker substance. Subsequently, the matrices were loaded with ampicillin and the antibiotic release was validated by monitoring the antibacterial activity on Staphylococcus aureus and Escherichia coli. It was concluded that GelMA/gelatin bioink is a good and satisfying material for potential medical use. Depending on the polymer used, the addition of microspheres improves its structure, thermal and drug delivery properties.

Deciphering Houttuynia cordata extract as electron shuttles with anti-COVID-19 activity and its performance in microbial fuel cells

BackgroundTraditional herbal medicines usually contain electron shuttle (ES)-like structures compounds which are potential candidates for antiviral compounds selection. Houttuynia cordata is applied as a biomaterial to decipher its potential applications in bioenergy extraction in microbial fuel cells (MFCs) and anti-COVID-19 via molecular docking evaluation. MethodsH. cordata leaves extracts by water and 60% ethanol solvent were analyzed for total polyphenols, antioxidant activity, cyclic voltammetry (CV), and MFCs. The bioactive compounds of H. cordata leaves extracts were assayed via LC/MS analysis. Identification of the marker substances for potential antiviral activity using a molecular docking model was provided. Significant findings60% ethanol extract exhibits the highest total polyphenols and antioxidant activity compared with water extracts. Bioenergy extraction in MFCs showed that 60% ethanol extracts could give 1.76-fold more power generation compared to the blank. Flavonoids and their sugar-to-glycan ratios increased after CV scanning and they are expected to be effective ES substances. Quercitrin, from the H. cordata extract that shares an ES-like structure, was found to exhibit strong binding affinities towards ACE2 and RdRp. This indicated the potential of H. cordata leaves as a promising antiviral herb.

Simultaneous Analysis of Bergapten and Schinifoline in Zanthoxylum schinifolium Seeds Using HPLC and UPLC-MS/MS Systems

Zanthoxylum schinifolium Siebold et Zuccarini belongs to the Rutaceae family and has been widely used as a spice in East Asian countries such as Korea, China, and Japan. The present study focused on developing and validating a simultaneous analytical method for marker substances (bergapten and schinifoline) in Z. schinifolium seeds. This was achieved using high-performance liquid chromatography with a photo-diode array detector (HPLC-PDA) and ultra-performance liquid chromatography with tandem mass spectrometry (UPLC-MS/MS) systems. In the regression equation, all markers showed a coefficient of determination of ≥0.9990. Marker recovery was 96.90-105.16% (relative standard deviation (RSD) ≤ 2.23), and the intra- and interday precision was RSD < 3.00. Bergapten and schinifoline were detected in the seeds at 1.70-2.85 mg/g and 0.19-0.94 mg/g, respectively. This analytical method will improve quality control of Z. schinifolium seeds. Additionally, this assay will provide basic data and quality assurance for future biological activity experiments or clinical applications.

Unraveling the bioenergy production and electron transport characteristics of processed Rheum palmatum L. for antiviral drug development

To bridge western and traditional Chinese medicine, research in Chinese medicinal herbs has become an increasing trend for discovering new effective antiviral drugs. In addition, this pioneer study disclosed that synergistic interactions of electron-mediating contents in herbal medicines through electrochemical catalysis of electron shuttles could trigger effective disease treatment via electron transport stimulation as the platform of microbial fuel cells (MFCs) indicated. Hence, this study first attempted to decipher the bioenergy-assisted action of R. palmatum L. for antiviral assessment. Several processing methods can be performed to maximize phytoconstituent extraction and efficiency that can influence the chemical profile and bioactivity of herbal samples. To generate a comparative analysis, R. palmatum L. roots are subjected to several processing methods and are evaluated through phytochemical screening, antioxidant activity, high-performance liquid chromatography analysis, and dual-chambered-MFCs for bioenergy production. Molecular docking analysis of marker substances was also employed to establish the potential of R. palmatum L. for antiviral drug development. Ethanol extracts are revealed to be toxic for MFCs despite having increased phenolic compounds. Overall, vinegar-processed Rheum palmatum water extracts exhibited the highest bioenergy-stimulating capabilities and antioxidant activity. Furthermore, rhein from the same extract was found to exhibit strong binding affinities towards Flaviviridate viruses and can potentially inhibit NS5B polymerase from the Hepatitis C Virus. This study clearly suggests the potential of R. palmatum L. roots as a promising herb for antiviral drug development. This work also provided a novel protocol for prescreening candidate species for antiviral drug development.

UPDATED CLINICAL PROTOCOLS OF INHERITED FATTY ACID OXIDATION DISORDERS IN NEWBORNS: CONSOLIDATED DATA FROM THE INTERNATIONAL CLINICAL GUIDELINES

Fatty acid oxidation disorders (FAODs) are a group of inherited metabolic diseases (IMDs) caused by impairments in mitochondrial β-oxidation of fatty acids (FA) due to defects in genes encoding enzymes, transporters, membrane channels, and receptors that mediate this process. A common characteristic of this group of IMDs is an energy deficit associated with suppression of energy metabolism in mitochondria due to a decrease in the production of ketone bodies and the substrate of the tricarboxylic acid cycle – acetyl-coenzyme A. Since energy deficiency is a common pathogenetic factor of the entire group of FAODs, the manifestation of these inherited diseases is similar, and only certain nosologies have specific differences in the clinical picture, accordingly, these disorders require similar treatment. Initial manifestations of FAODs in neonatal and early childhood most often include cardiomyopathy, liver dysfunction, and hypoketotic hypoglycemia. For newborns with FAOD, the main danger is rapidly progressing crisis states of metabolic decompensation with severe, often fatal consequences. In adolescence, in addition to the above severe symptoms, episodes of rhabdomyolysis may also occur.Since long intervals between meals are one of the main factors provoking episodes of metabolic decompensation in patients with FAODs, the key tool for their prevention is the avoidance of prolonged fasting. In cases of the development of metabolic crisis states, symptomatic treatment is used with the introduction of carnitine according to indications. The special role of carnitine is its involvement in the transport of long-chain fatty acids through the mitochondrial membrane. Treatment of FAODs caused by a deficiency of enzymes whose substrates are long-chain fatty acids involves the use of a low-fat diet and the addition of medium-chain triglycerides and docosahexaenoic acid to the diet. Success in treating IMDs as such and FAODs, particularly, is directly related to early detection of the disease and treatment beginning since the destructive effect of toxic metabolites on internal organs and the brain increases according to the duration of exposure, leading to their progressive damage and delay in physical and mental development.An effective tool for the early detection of newborns with IMDs is the extended neonatal screening program, the implementation of which, according to the WHO, has become the greatest achievement of the health care systems of the developed countries of the world in reducing the levels of child mortality and disability in the first 10 years of the 21st century. In 2019, the program of extended newborn screening of IMDs was started in Ukraine at the initiative of the State Institution “Institute of Pediatrics, Obstetrics and Gynecology named after Academician O.M. Lukyanova of the National Academy of Medical Sciences of Ukraine”, “Association of Neonatologists of Ukraine” and “CDC Pharmbiotest” (Baby Screen, https://baby-screen.com.ua).One of the main reasons that limit the general use of this diagnostic procedure is doctors' lack of awareness and attention regarding IMDs, the causes of these serious diseases, diagnostic search algorithms, approaches to treatment, and patient follow-up. There is an urgent need for concise medical information that includes: a brief description of the individual genetic defect; characteristics of biochemical disorders and a list of marker substances that accumulate in the blood and urine of a newborn with IMDs; procedures of primary and clarifying laboratory studies; clinical manifestations of the disease; treatment strategy and prognosis. At the discretion of the Baby Screen team, this information is provided in the form of concise protocols.In this publication, we present eight Clinical Protocols, which were prepared by a team of specialists in metabolic pediatrics, medical genetics, and laboratory analytics, who were trained in the leading medical and genetic centers of the EU countries and regularly participate in training and scientific-practical seminars on this topic. The sources of information given in the protocols are international and national guidelines on extended neonatal screening, websites of leading organizations specializing in the diagnosis and treatment of IMDs, and well-known monographs and periodicals.

Drug consumption in German cities and municipalities during the COVID-19 lockdown: a wastewater analysis

Analysis of illicit drugs, medicines, and pathogens in wastewater is a powerful tool for epidemiological studies to monitor public health trends. The aims of this study were to (i) assess spatial and temporal trends of population-normalized mass loads of illicit drugs and nicotine in raw wastewater in the time of regulations against SARS-CoV-2 infections (2020–21) and (ii) find substances that are feasible markers for characterizing the occurrence of selected drugs in wastewater. Raw sewage 24-h composite samples were collected in catchment areas of 15 wastewater treatment plants (WWTPs) in urban, small-town, and rural areas in Germany during different lockdown phases from April 2020 to December 2021. Parent substances (amphetamine, methamphetamine, MDMA, carbamazepine, gabapentin, and metoprolol) and the metabolites of cocaine (benzoylecgonine) and nicotine (cotinine) were measured. The daily discharge of WWTP influents were used to calculate the daily load (mg/day) normalized by population equivalents (PE) in drained catchment areas (in mg/1,000 persons/day). A weekend trend for illicit drugs was visible with higher amounts on Saturdays and Sundays in larger WWTPs. An influence of the regulations to reduce SARS-CoV-2 infections such as contact bans and border closures on drug consumption has been proven in some cases and refuted in several. In addition, metoprolol and cotinine were found to be suitable as marker substances for the characterization of wastewater. A change in drug use was visible at the beginning of the SARS-CoV-2 crisis. Thereafter from mid-2020, no obvious effect was detected with regard to the regulations against SARS-CoV-2 infections on concentration of drugs in wastewater. Wastewater-based epidemiology is suitable for showing changes in drug consumption during the COVID-19 lockdown.