Medicinal Materials Research Articles

Expanding the Repertoire of Large Scaffolds with Syn and Anti Macrocyclic Metacyclophanes.

Understanding how changes in structure translate to changes in molecular shape is key to catalyst optimization and molecular design in medicinal chemistry and materials. One key contributor to the molecular shape is the relative orientation of substituents on a scaffold. Macrocyclic metacyclophanes display their two arenes in a parallel or antiparallel fashion, resulting in anti or syn conformations that lead to disparate relative orientations of the aryl substituents. This work reports the synthesis of new 14- and 16-membered metacyclophanes and the elucidation of their anti/syn preferences by 1H NMR and computational conformational analysis. Most metacyclophanes studied herein display a strong anti or syn preference and, thus, have well-defined substituent orientations. We propose that anti/syn conformational preferences arise from the minimization of torsional strain along the backbone of the macrocycle, which leads to the prediction that metacyclophanes with remote aryl substituents will adopt the same conformation as their unsubstituted counterparts. Exit vector analysis also reveals that anti-metacyclophanes project their substituents into regions in three-dimensional space that are not accessed by other common large scaffolds, e.g., [2.2]paracyclophanes and ferrocenes. This work also demonstrates how ring size and functional groups, two parameters commonly optimized in macrocycle design, can be used to tune molecular shape.

Biomass Allocation in Gentianella turkestanorum is Driven by Environmental Factors and Functional Traits

Exploring the elevation distribution characteristics, biomass allocation strategies, and the effects of elevation, soil factors, and functional traits on the biomass of Gentianella turkestanorum (Gand.) Holub is of great significance for the production, development, utilization, and protection of the medicinal material resources. In this study, we investigated the biomass and functional traits of the root, stem, leaf, and flower of G. turkestanorum, analyzing their elevation distribution patterns, allometric growth trajectories, and their correlations. The results showed that the biomass of different organs of G. turkestanorum decreases with increasing elevation, and the belowground biomass/aboveground biomass increases with elevation. The flower biomass accounts for 59.24% of the total biomass, which was significantly higher than that of other organs. G. turkestanorum biomass follows the optimal allocation theory, adopting a ‘pioneering’ growth strategy at low elevations and a ‘conservative’ strategy at high elevations. Chlorophyll content and leaf thickness of G. turkestanorum were positively correlated with elevation, but leaf dry matter content and the number of flowers were negatively correlated with elevation. Compared to functional traits, elevation and soil factors have a stronger explanatory power regarding the biomass of G. turkestanorum. Elevation, soil moisture content, pH, available phosphorus, total nitrogen, and ammonium nitrogen significantly affect the biomass of G. turkestanorum, with only pH showing a positive correlation with biomass. Among these factors, elevation, soil moisture content, and pH significantly impact the accurate prediction of G. turkestanorum biomass. The number of flowers, crown width, root length, root diameter, and leaf dry matter content all have a significantly positive correlation with the biomass of G. turkestanorum, with the number of flowers and root diameter making significant contributions to the accurate prediction of biomass. Elevation can directly affect the biomass of G. turkestanorum and can also indirectly affect it through other pathways, with the direct effect being greater than the indirect effect.

Post-harvest processing methods have critical roles on the contents of active metabolites and pharmacological effects of Astragali Radix

BackgroundProcessing methods of traditional Chinese medicinal materials are critical in influencing the active metabolites and pharmacological effects. The fresh processing method effectively prevents the loss and degradation of metabolites, common in traditional drying and softening processes, while also reducing production costs. Astragali Radix (AR), a leguminous botanical drug, is widely utilized in clinical practice and functional foods. Therefore, optimizing its the post-harvest processing method is crucial for enhancing production and application.MethodsAR samples were processed using different methods with varying moisture content, including unpretreated samples and those subjected to kneading and sweating treatments. These samples were evaluated for physical appearance and active metabolite content. The entropy weight method, combined with the technique for order preference by similarity to ideal solution (TOPSIS), was employed to optimize the fresh processing method. A comparative study between freshly processed AR (AR-F) and traditionally processed AR (AR-T) assessed active metabolites, pharmacological effects and mechanisms.ResultsThe appearance and active metabolites content of AR samples were affected by moisture content, kneading, and sweating treatments. After these treatments, the content of polysaccharides and calycosin-7-O-glucoside increased compared to unpretreated samples at the same moisture level. Entropy weight-TOPSIS analysis showed that the sample with 35% moisture, 100 kneading cycles, and 12 h of sweating had the highest score. Comparative studies revealed that AR-F had significantly higher content of total polysaccharides, total flavonoids, and calycosin-7-O-glucoside compared to AR-T, along with an increased flavonoid glycoside/aglycone ratio. However, no significant differences were observed in the total saponins and their metabolites. Pharmacological studies demonstrated that total flavonoids in AR-F exhibited superior macrophage RAW264.7 activation, compared to AR-T. Furthermore, we confirmed that the enhanced immunomodulatory capacity of AR-F was linked to its ability to stimulate the release of TNF, SRC, ER-α, AKT, HSP90, and Caspase-3 in RAW264.7 cells.ConclusionOur study optimized the fresh processing method of AR, and conducted a systematic comparative analysis between fresh and traditional processing samples, providing a basis for post-harvest processing in the AR production areas.

An in vivo evaluation of the safety and efficacy of using decellularized bovine parietal peritoneum membranes as dural substitutes

PurposeThe reconstruction of dura matter is a challenging problem for neurosurgeons. A number of materials for dural reconstruction have recently been developed, but some of them have poor biocompatibility, poor mechanical properties, and adverse effects. Bovine parietal peritoneum is a promising natural material for regenerative medicine and reconstructive surgery. In this study, we conducted an in vivo evaluation of the safety and efficacy of using decellularized bovine peritoneum membranes (BPMs) as natural dural substitutes in a rabbit model.MethodsThe dural defects in mature New Zealand rabbits were studied. A BPM was sutured on the dural defect area of each animal. Autologous periosteum and collagen membranes (Lyoplant®) were used to facilitate a comparison with the BPMs. ELISA, histomorphological analysis, and hematological analysis were carried out to examine the safety and efficacy of using BPMs as dural substitutes.ResultsOur results showed that the BPMs demonstrated a deterioration rate that is suitable for gathering newly formed meningothelial tissue. The thickness and density of BPM fibers prevents resorption in the first few days after use as a plastic material, and the regeneration of the dura mater does not occur at an accelerated pace, meaning that the gradual formation of fibrous tissue prevents adhesion to the brain surface. It was observed that the BPM can integrate with the adjacent tissue to repair dural defects. Moreover, the transplantation of BPMs did not cause significant adverse effects or immunological responses, indicating the safety and good biocompatibility of the BPM.ConclusionThus, our in vivo study in a rabbit model showed that decellularized BPMs may represent a biocompatible natural material that can be used in cases requiring dura matter repair without significant adverse effects.

A Comprehensive Review on the Chinese Herbal Medicine Quzhiqiao

Quzhiqiao is a Chinese herbal medicine widely used in Zhejiang Province of China, which originates from the cultivar Citrus aurantiun ‘Changshanhuyou’, named Changshanhuyou in Chinese. Citrus aurantiun ‘Changshanhuyou’ is a botanical variety of C. aurantium L., which is obtained after long-term domestication. It belongs to the Rutaceae family and mainly grows in Changshan County, Zhejiang Province, China. Quzhiqiao is an authentic Chinese medicinal material in the Zhejiang area with various pharmacological and curative effects. A comprehensive review and indepth analysis of scientific literature on Quzhiqiao was conducted, utilizing diverse electronic databases and additional sources. This review provides a comprehensive overview of its chemical components, standardized quality control, pharmacological activity, and mechanism of action, which also outlines future perspectives, highlighting the necessity for further research for harnessing the potential of the therapeutic use of Quzhiqiao.

Latvian Healthcare Professionals’ Self-Reported Knowledge, Attitudes, and Behaviors Related to Pregnancy Prevention Program Materials for Valproate-Containing Medicines

Background: Valproates are recognized for their significant teratogenic risks, which can lead to physical defects and developmental disorders when used during pregnancy. To mitigate these risks, the Pregnancy Prevention Program (PPP) was developed by European regulators for patients and healthcare professionals (HCPs). Despite the crucial nature of this program, the implementation of the PPP does not appear to be fully effective. This situation highlights the need for a deeper understanding of HCPs’ knowledge, attitudes, and behaviors regarding the PPP. Methods: A cross-sectional study using anonymous electronic questionnaires was conducted. The questionnaires were developed by a board of experts from eight different EU countries and were distributed among prescribers (general practitioners (GPs), neurologists, and psychiatrists) and pharmacists. Descriptive statistics were used to analyze the obtained data on participants’ knowledge, attitudes, and behaviors regarding the prescribing and dispensing of valproate-containing medicines to women of reproductive age, as well as the impact of PPP materials on their work. Results: The study results indicate that while HCPs in Latvia are generally aware of valproate teratogenic risks, significant gaps remain in the implementation of the PPP. A considerable number of both prescribers and pharmacists expressed the belief that they are not responsible for educating patients about the PPP, attributing this responsibility to other specialists. Furthermore, barriers such as a lack of time and accessible materials were identified. Conclusions: The roles and responsibilities of HCPs should be clearly defined to improve adherence to the PPP. Further research is needed to assess prescription and dispensing strategies, as well as HCPs’ attitudes toward the PPP. Additionally, re-evaluating and enhancing the accessibility of PPP materials is essential in effective risk management and better patient care.

Microdiagnostic characteristics of the herb Artemisia austriaca Jacq. (Artemisia austriaca Jacq.)

Introduction. Artemisia austriaca Jacq. is a perennial herbaceous plant of the Asteraceae family, popular in folk medicine due to its various biological activities, in particular: wound-healing, anticonvulsant, analgesic, antipyretic and others. In addition, this plant is in the same section as the pharmacopoeial species – wormwood bitter. In the dynamically developing pharmaceutical field, one of the aspects of expanding the base of medicinal plants as sources of phytopreparations is the study of wild plants close to officinal species. One of the initial stages on the way to the development of regulatory documentation for medicinal plant raw materials is the identification of their authenticity criteria that allow reliable identification. Objective: Study of anatomical-diagnostic features of Artemisia austriaca Jacq. of the Saratov region. Material and methods. The objects of the study were samples of Artemisia austriaca Jacq. herbs harvested in 2021 in the Saratov region. The study of the structure of A. austriaca herbs was performed according to the instructions of GPA.1.5.3.0003 "Microscopic and microchemical analysis of medicinal plant raw materials and drugs of plant origin" in the 15th edition of the Russian Federation’s State Pharmacopoeia. Results. The anatomical-histological study of stem, petiole, inflorescence of Artemisia austriaca growing on the territory of Saratov region has been carried out. As a result of the work the markers, luminescent characteristics of tissues, which help to authenticate the raw materials of this taxon, were revealed and clearly presented. Conclusion. The results obtained provide the possibility to identify the mentioned raw material, as an individual, and in addition, in a complex multicomponent phytocomposition.

Establishment of human minor salivary gland organoids in laminin-GelMA hydrogel from healthy individuals and Sjögren’s disease patients

Biopsies of human minor salivary glands (hMSGs), located beneath the oral mucosa, are crucial for a definitive clinical diagnosis of Sjögren’s Disease (SjD)。Although organoids from various exocrine glands have been cultured, organoids comprising the diverse cell types of hMSGs have not yet been successful. In this study, we established long-term cultures of hMSGs organoids derived from both healthy individuals and patients with SjD. The organoids, cultured in artificial laminin-GelMA hydrogel, retain distinct phenotypic and functional characteristics of the native glands, both when stimulated with neurotransmitters in vitro and upon transplantation in vivo. Single-cell RNA sequencing revealed that organoids from healthy individuals and from SjD patients exhibit unique phenotypic differences. Furthermore, treatment with tofacitinib enhanced the proliferation of patient organoids by inhibiting the JAK-STAT pathway, suggesting a potential therapeutic strategy for further investigation. Here, we derived organoids from healthy individuals as potential transplant material in regeneration medicine, and developed SjD hMSG organoids for use as a disease model for exploring SjD pathogenesis and developing therapeutic strategies.

Effectiveness of Bay Leaf Extract (Syzygium polyanthum) on Uric Acid and Cholesterol Levels in Caffeine-Induced Male Mice (Mus musculus)

Bay leaf (Syzygium polyanthum) is one of the plants from Indonesia that has the potential to be used as a raw material for herbal medicine. Pharmacologically, bay leaves containing flavonoids have been shown to have antioxidant activity, which can reduce hyperuricemia and blood cholesterol levels. This study aims to determine the effectiveness of bay leaf extract in reducing uric acid and cholesterol levels in the blood of mice induced by caffeine. The mice tested animals were divided into six groups, namely a positive control group of uric acid, a positive control of cholesterol, where a positive control of uric acid was given allopurinol and a positive control of cholesterol was given simvastatin, a negative control was given Na-CMC 1%, and a group that was given bay leaf extract in different dose levels, namely P1 was given 20 mg/kg BB, P2 was given 40 mg/kg BB, and P3 was given 80 mg/kg BB. The parameters used were the decrease in blood uric acid and cholesterol levels caused after the treatment was measured using a POCT strip test for uric acid and cholesterol. The data obtained were statistically processed using the One-Way Anova test. The results of the Anova test showed a significant difference (p<0.05) in the data on uric acid and cholesterol levels. Then continued with the results of Duncan's test to see the most effective dose level for bay leaf extract in reducing uric acid and cholesterol levels. In Duncan's test results, it was found that the P3 group of mice with a dose of 80 mg/kg BB was the most effective dose level in reducing uric acid and cholesterol levels in the blood of mice induced by caffeine.

Comparative analysis of biologically active substances in leaves and fruits of European dewberry (Rubus caesius L.)

Introduction. In recent years, the attention of researchers has increasingly been attracted by representatives of the genus Rubus, among which the European dewberry (Rubus caesius L.), as one of the most frequently encountered species. There are a number of studies on the chemical composition and pharmacological activity of raw materials of European dewberry. For example, its fruits, leaves, and shoots are rich in compounds of a phenolic nature, have antitumor, antioxidant, and antidiarrheal activity. Consideration of European dewberry as a producing plant of medicinal plant raw materials is relevant. Objective. The study of the composition and content of some groups of biologically active substances (BAS) in the leaves and fruits of European dewberry. Material and methods. The objects of the study were dried leaves and fruits of European dewberry harvested in the Moscow region and the Republic of Bashkortostan in the summer of 2023. The analysis of BAS was carried out according to the methods set out in the Russian State Pharmacopoeia. BAS was detected by qualitative reactions and thin-layer chromatography (TLC). The quantitative determination of BAS was carried out by titrimetry and spectrophotometry (SPM) methods. Results and discussion. During the work, hydrolyzable tannins (10.01 and 5.6%, respectively), organic acids (1.44 and 3.12%, respectively), ascorbic acid (0.068 and 0.11%, respectively) were found in the leaves and fruits of the European dewberry. The amount of anthocyanins in terms of cyanidin-3-5-diglycoside was determined in the fruits of the European dewberry, the value of which was 0.98%. The content of flavonoids in terms of rutin in the leaves of European dewberry was 0.72%. Conclusion. A comparative analysis of BAS in the leaves and fruits of the European dewberry was carried out. The studied objects are promising sources of substances of primary and secondary metabolism.

Secretory structures and histochemistry of roots, stem, and leaves of medicinal plant Fibraurea tinctoria Lour.

Fibraurea tinctoria Lour. (Menispermaceae) is a medicinal plant used by many local tribes in Indonesia and other countries. This species has pharmacological potential, such as antimalaria, antibacterial, antitumor, antioxidant, anticancer, antidiabetic, anti-inflammatory, and hepato-protector. However, the secretory structures and sites of secondary metabolite accumulation still need to be studied. This study aimed to explore the secretory structures and reveal the accumulation sites of the main classes of secondary metabolites in the root, stem, and leaves of F. tinctoria. Histochemical analysis using various specific reagents was performed on freehand sections of the fresh organs to detect alkaloids, phenolics, terpenoids, and lipophilic compounds. Observations of secretory structures were carried out using light microscopy. The result showed that idioblast was the predominant secretory structure in the plant organs and contained all the chemical groups investigated, while laticifer accumulated alkaloids were found only in the stem. Some secondary metabolites were localized in the xylem, intercellular space, and cuticle layer. Crystals were observed in the root, stem, and leaf of this species. These results might be helpful as guide information for extracting the particular plant parts to obtain the desired secondary metabolites. It suggested that leaves are a potential alternative source of medicinal raw material of this species, in addition to the stem. RESEARCH HIGHLIGHTS: The first study on secretory structures of Fibraurea tinctoria. Secondary metabolites in F. tinctoria organs accumulate in specialized and unspecialized structures. The idioblast is the primary secretory structure in the organs of F. tinctoria spreading over the root, stem, and leaves.

Saprophytic fungus (Ganoderma sessile) restrained Treg recruitment in the tumor microenvironment by down-regulating CCL28/CCR10 pathway

Ganoderma sessile, a saprophytic fungus, is a traditional Chinese medicinal material used in Chinese folk medicine and cuisine for its potential to enhance cancer patients immunity in clinical practice. However, the underlying mechanisms of its therapeutic effects remain elusive. Therefore, we explored the edible value to determine the underlying mechanisms of GS through multiple breast cancer models. GS was found to suppress tumor growth and lung metastasis, and prolong survival after surgery. It significantly increased tumor-infiltrating CD44HiCD62LHiCD8+ TCM cells while decreasing CD4+CD25+CD127− Treg cells in both lymph nodes and tumors. The mechanism behind GS’s effects primarily involved modulation of the Hif1-a/CCL28 pathway associated with Treg recruitment. Furthermore, GS could reduce CCR10 levels on the surface of Tregs. Collectively, GS inhibits tumor growth and pulmonary metastasis by restraining Treg recruitment through downregulation of the CCL28/CCR10 pathway—a finding which highlights its potential as a natural anti-tumor immune agent warranting further exploration.

Detection of foreign materials on Semen Ziziphi Spinosae using hyperspectral imaging technology coupled with convolutional neural networks

The efficacy of Semen Ziziphi Spinosae, a valued medicinal material, can be compromised by the presence of foreign materials, which may also worsen patient conditions and lead to complications. Traditional machine vision techniques often struggle to identify foreign entities that closely resemble Semen Ziziphi Spinosae in color and shape. This study investigates the application of hyperspectral imaging technology for the detection and differentiation of four types of foreign materials (moldy Semen Ziziphi Spinosae shell, wood, and stone) in processing industries. High-resolution hyperspectral imagery was subjected to image segmentation and background noise reduction to separate the contours of the samples within the images. The average spectral signatures of the regions of interest were extracted to construct models such as Convolutional Neural Networks (CNN), Support Vector Machines (SVMs), Mahalanobis distance, Deep Belief Networks, and Generative Adversarial Networks. These models were employed to extract spectral information indicative of foreign matter within the hyperspectral data to identify foreign materialss in Semen Ziziphi Spinosae. Subsequently, the classification outcomes were mapped onto the original hyperspectral images, enabling a visual representation of foreign matter within the seeds. The classification performance of alternative models was compared with that of the CNN model. The results demonstrate that a CNN trained with spectral information from hyperspectral data can accurately identify foreign materialss in Semen Ziziphi Spinosae. The model underwent 30 iterations, achieving an accuracy rate of 99% with a root mean square error (RMSE) of 0.62 for the validation detection, and an accuracy rate of 98% with an RMSE of 0.62 for the validation set.

Skeletal Editing via Transition-Metal-Catalyzed Nitrene Insertion.

Metal-nitrenes are valuable reactive intermediates for synthesis and are widely used to construct biologically relevant scaffolds, complexes and functionalized molecules. The ring expansion of cyclic molecules via single-nitrogen-atom insertion via nitrene or metal-nitrenoid intermediates has emerged as a promising modern strategy for driving advantageous nitrogen-rich compound synthesis. In recent years, the catalytic insertion of a single nitrogen atom into carbocycles, leading to N-heterocycles, has become an important focus of modern synthetic approaches with applications in medicinal chemistry, materials science, and industry. Catalytic single-nitrogen-atom insertions have been increasing in prominence in modern organic synthesis due to their capability to construct high-value added nitrogen-containing heterocycles from simple feedstocks. In this review, we will discuss the rapidly growing field of skeletal editing via single-nitrogen-atom insertion using transition metal catalysis to access nitrogen-containing heterocycles, with a focus on nitrogen insertion across a wide spectrum of carbocycles.

The experimental substantiation of the main parameters of the extraction of gaillardia herb (Gaillardia pulchella L.)

In the structure of the pharmaceutical market, the share of drugs based on the medicinal plant raw material (MPRM) is growing. Therefore, it is relevant to create a standardized domestic substance of natural origin – a liquid extract of gaillardia herb (Gaillardia pulchela L.) and develop new medicines based on it. Aim. To obtain a liquid extract by experimentally substantiating the main parameters of gaillardia herb extraction. Materials and methods. The study object was the raw material of gaillardia herb collected in the flowering phase at the Botanical Garden of the Poltava National Pedagogical University named after V. G. Korolenko (Poltava) in July and August 2022-2023, dried by the air-shade method and crushed by the rolling method. The crushed raw material was sifted through a sieve with a hole size of 10 mm. The millet was used for further research. The study of pharmaco-technological indicators was carried out according to the standard methods of the SPhU. Results and discussion. Since the complex of active substances of gaillardia herb was mainly represented by water-soluble BAS, it was necessary to choose a solvent that would remove this group of substances from the raw material as completely as possible. The experimental data obtained show that the ability to extract the BAS complex from gaillardia herb is preferred by purified water, which provides the maximum yield of extractive substances. The next stage of our research was to study the determination of the multiplicity of extraction, based on the determination of the maximum yield of extractive substances. Each of the extracts was selected fractionally with a step of DER 1:1 (drug extract ratio – the ratio of the starting material to the resulting extract). According to the data obtained, the amount of extractives passing during the extraction into the hood increases gradually up to 5 samples. Analyzing extracts from 6 to 10, it can be seen that the amount of extractives and a dry residue varies slightly; percolation with the extraction of more than 5 will lead to an increase in the consumption of the extractant and a decrease in the yield of active substances for the entire volume of the extractant. Conclusions. Based on the results of the studies conducted, the technological parameters of gaillardia herb have been determined (the volume mass – 0.453 ± 0.016 g/cm3; the bulk mass – 0.071 ± 0.001 g/cm3, the specific gravity – 1.214 ± 0.032 g/cm3, the water absorption coefficient – 1.68 ± 0.08). It has been experimentally proven that when extracting with purified water, the maximum yield of extractive substances is observed in the second volume, the yield of extractive substances is smooth, without sharp fluctuations in concentrations (in contrast to 40 and 70% ethanol). Therefore, the studies have determined an effective extractant for obtaining the extract, namely purified water. As a result of the pharmaco-technological tests conducted, the effective multiplicity of gaillardia herb extraction has been determined, which is equal to 5. The data will be taken into account when developing the technology of a liquid extract from gaillardia herb and choosing equipment for its production.

A Metabolomics Strategy Combining Countercurrent Separation and qNMR for the Comprehensive Chemical Evaluation of Polygoni Multiflori Radix Processing.

Polygoni Multiflori Radix (PMR) is commonly used in traditional medicine as both raw and processed forms. Raw PMR was prepared into processed PMR via processing procedure; however, there is a lack of standardized protocols ensuring the completeness of processing. This aims to develop a strategy based on a metabolomics approach for the comprehensive chemical profiling and comparison of raw and processed PMR and establish a basis for PMR processing standardization. Methanol extracts of raw and processed PMR were fractionated by centrifugal partition chromatography (CPC) with an optimized two-phase solvent system based on the partition coefficient calculated from the shake-flask method to produce primary (1°Ms)- and secondary metabolites (2°Ms)-enriched fractions. These fractions were profiled by 1D and 2D and selective 1D NMR experiments, spectral fitting, and comparison with reference standards. The profiled compounds were quantified via quantitative 1H NMR (qHNMR) to show the chemical changes, which were correlated with changes in antioxidant effects on H2452 cells. A CPC method was developed to efficiently separate 1°Ms- and 2°Ms-enriched fractions. This method achieved high purity of the major stilbene in PMR in a single run. qHNMR effectively quantified four 2°Ms and twenty-one 1°Ms in both raw and processed PMR, including meso-butane-2,3-diol, which was first reported from processed PMR. Changes in chemical composition of PMR because of processing are highly correlated to the increase of antioxidant activity. A convenient and cost-effective strategy for the comprehensive chemical profiling of raw and processed PMR was developed by combining countercurrent separation and qHNMR. This approach will contribute to the standardization of medicinal herbal materials.

The development of the technology of a thick extract for the treatment of cheilitis

Aim. To substantiate the parameters of the technological process for obtaining an aqueous thick extract based on the medicinal plant raw material for the treatment of cheilitis. Materials and methods. The study objects were experimental samples of a phytocomplex (large burdock root: oak bark: pot marigold flower buds 5: 1: 1.5) and an aqueous thick extract obtained on its basis. During the development of the technology for obtaining a thick extract and its standardization, organoleptic, physicochemical and pharmacotechnological research methods were used in accordance with the methods and recommendations given in the SPhU 2.0. The results of the research were statistically processed in accordance with the requirements of monograph 5.3 of the SPhU 2.3. Results. The pharmacotechnological properties of the phytocomplex for the prevention and treatment of cheilitis – large burdock root: oak bark: pot marigold flower buds (5: 1: 1.5, respectively) were experimentally studied. The optimal conditions for extraction of the complex with purified water were determined; they were: temperature – 95-100 ºС; three-stage remaceration method; the total ratio of the raw material: finished extract (1:10). The technological parameters were worked out; the technological flowsheet of the process for obtaining an intermediate product – an aqueous thick extract under the conditional name “Phytol” was developed. Conclusions. Based on the studies conducted, the technological parameters of the extraction process for the phytocomplex proposed have been determined; the technology for obtaining an aqueous thick extract has been substantiated step-by-step, and its technological flowsheet has been drawn up.

Development of an HPLC Method for Simultaneous Quantitation of Hyperin, Quercetin and Kaempferol in the Semen cuscutae

In this study, a method for the simultaneous quantification of hyperin, quercetin, and kaempferol in samples of Semen cuscutae was developed using high-performance liquid chromatography (HPLC). The chosen chromatographic conditions were a mobile phase of methanol – 0.1% formic acid in water, running in gradient mode, with a flow rate of 0.9 ml/min, and detection wavelengths of 354, 365, and 369 nm for hyperin, kaempferol, and quercetin, respectively. The results of the quantitative analysis of 5 samples of Semen cuscutae purchased from Phu Tho province showed hyperin content ranging from 0.950 to 1.218 mg/g; quercetin from 0.077 to 0.118 mg/g; and kaempferol from 1.051 to 1.190 mg/g based on the dry weight of the medicinal material. This research may be suitable for the quality control of Semen cuscutae in the market.

Artificial intelligence-aided electrochemical sensors for capturing and analyzing fingerprint profiles of medicinal materials

This study explores the application of artificial intelligence-aided electrochemical sensors for authenticating medicinal materials, focusing on sika deer antler cap powder. Utilizing differential pulse voltammetry and graphene-modified screen-printed electrodes, we developed a novel method to capture unique electrochemical fingerprints of authentic, counterfeit, and adulterated samples. Three machine learning models—Support Vector Machine (SVM), Random Forest (RF), and Extreme Learning Machine (ELM)—were evaluated using both full voltammogram and principal component analysis (PCA) reduced features. The SVM model with PCA-reduced features emerged as the optimal approach, achieving a classification accuracy of 97.9 % while reducing training time by 65.6 % (from 3.2 s to 1.1 s) and prediction time by 71.4 % (from 0.07 s to 0.02 s per sample) compared to using full voltammogram features. This reduction in computational complexity was achieved by decreasing the input dimensionality from 601 to 5 features through PCA, while maintaining high classification performance across all sample categories. This model demonstrated high sensitivity (>97 %) and specificity (>98 %) across all sample categories, with a notably low limit of detection for adulteration at 2.8 %. Characteristic peaks, such as the pantocrin peak at 0.25 V for authentic samples, provided a robust basis for differentiation. The method's effectiveness in detecting subtle adulterations was evidenced by its ability to identify samples with as low as 5 % adulteration. Furthermore, the approach showed excellent generalization, maintaining 97.0 % accuracy on an independent validation set. These findings highlight the potential of this technique for rapid, accurate, and cost-effective authentication of medicinal materials, addressing the growing challenge of counterfeit products in the pharmaceutical industry.

Assessment of the risks of impacts of heavy metals and arsenic entering the human body with herbal medicines

Introduction. Liquid dosage forms based on medicinal plant raw materials are very convenient to use and must meet safety requirements. In the context of harmonization of pharmacopoeial requirements, determining the total content of heavy metals in tinctures is not enough. Risk assessment is necessary to calculate the permissible concentrations of heavy metals in tinctures.Aim. To assess the safety of using tinctures in terms of the content of heavy metals and arsenic within the framework of a risk-oriented strategy.Materials and methods. The objects of the study were 20 samples of valerian and motherwort tinctures manufactured by various enterprises. The quantitative content of 15 elements (As, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Sr, Tl, V, Zn) was determined by inductively coupled plasma mass spectrometry.Results and discussion. The concentrations of elements in tinctures varied in the range of 0–1.84 μg/g. Manganese and zinc were found in maximum quantities, while cadmium, molybdenum and vanadium were found in minimum quantities. Mercury was not detected in any of the samples. The content of toxic elements in the tinctures did not exceed the levels of permissible concentrations regulated by the normative documentation of the Russian Federation. Total hazard indices (HI) were calculated at the levels of the median and 90th percentile of the content of elemental toxicants. In the tinctures, they were, respectively: valerian – 0.016 · 10–5 and 0.027 · 10–5, motherwort – 0.022 · 10–5 and 0.028 · 10–5. The obtained values were significantly lower than 1.0. Calculation of individual carcinogenic risk (CR) of elemental carcinogens (Cd, As, Cr, Pb) entering the body with tinctures of valerian and motherwort showed that the CR values were in the range of 4.9 · 10–9–6.84 · 10–7, which did not exceed the permissible threshold value (1 · 10–6).Conclusions. The actual content of toxic elements (Pb, Cd, As, Hg) in tinctures of valerian and motherwort was 0–0.006 μg/g, which did not exceed the levels of permissible concentrations. Calculations of non-carcinogenic risks when using tinctures of valerian and motherwort showed that the total impact of 15 studied elements on human health when consuming a daily dose of tinctures is characterized as permissible, periodic monitoring of the content of non-standardized elements in samples of herbal medicines is not required. It was established that the studied tinctures of valerian and motherwort are not oncogenic factors and do not require risk reduction measures.