Pharmaceutical Technology Research Articles

Development of the Composition and Technology of Capsules Containing Peony Evadiant Rhizomes and Roots Dry extract and Glycine

Introduction. The development of dosage forms of sedative action is an urgent task of pharmaceutical technology in view of the prevalence of diseases of the nervous system. Peony rhizomes and roots dry extract in combination with glycine have a sedative and anxiolytic effect, which is associated with an improvement in the psycho-emotional state. Taking into account the physicochemical characteristics and composition of biologically active substances of peony rhizomes and dry extract roots, it is necessary to select auxiliary substances that improve its technological properties.Aim. Development of the composition and technology of hard gelatin capsules containing dry peony rhizomes and roots, dry extract and glycine.Materials and methods. Objects of research – dry peony rhizomes and roots (LLC "Kazan Extract Plant", Russia), glycine (JSC "Biokhimik", Russia). Excipients: apple pectin (LLC TD "HIMMED", Russia), starch (LLC TD "HIMMED", Russia), aerosil (LLC TD "HIMMED", Russia), lactose (LLC TD "HIMMED", Russia), microcrystalline cellulose (LLC TD "HIMMED", Russia), basic magnesium carbonate (LLC TD "HIMMED", Russia), magnesium oxide (LLC TD "HIMMED", Russia).Results and discussion. The composition and technology for obtaining capsules containing dry peony rhizomes and roots, dry extract and glycine, have been substantiated. The quality indicators of peony rhizomes and roots of dry extract in combination with glycine and developed capsules were determined.Conclusion. The composition of capsules of peony rhizomes and roots of dry extract and glycine has been developed, auxiliary substances have been selected to ensure satisfactory technological properties of the mass for filling the capsules.

Modeling and Causality Analysis of Human Sensorimotor Control System Based on NVAR Method

Article Modeling and Causality Analysis of Human Sensorimotor Control System Based on NVAR Method Jiyu Tan 1,2, Yurong Li 1,2,*, Qiurong Xie 3, and Xiaoling Wang 3 1 College of Electrical Engineering and Automation, Fuzhou University, Fuzhou 350108, China 2 Fujian Key Lab of Medical Instrument and Pharmaceutical Technology, Fuzhou University, Fuzhou 350116, China 3 College of Rehabilitation Medicine, Fujian University of Traditional Chinese Medicine, Fuzhou 350122, China * Correspondence: liyurong@fzu.edu.cn Received: 2 September 2023 Accepted: 19 October 2023 Published: 21 December 2023 Abstract: Neuromuscular disorders (such as stroke and spinal cord injuries) can lead to nerve damage that profoundly affects a patient's ability to control limb movements. Analyzing and modeling the human sensorimotor control system can establish a neurophysiological foundation for both fundamental research and clinical rehabilitation assessment. Electroencephalogram (EEG) signals provide insights into how the cerebral cortex regulates limb movements, while electromyogram (EMG) signals reveal how muscles respond to motor commands. Utilizing these signals, cortical-muscular models can be developed to facilitate the quantification and assessment of the human sensorimotor control system. This study proposes a method based on the nonlinear vector autoregression model and coiflets wavelet packet decomposition to perform multivariate time-frequency Granger causality analysis. The objective of this analysis is to compute the cortical-muscular causality matrix during elbow extension in stroke patients and construct a cortical-muscular causal network. The result reveals a frequency-dependent directed information flow pattern in the cortical-muscle causality matrix during elbow extension. Specifically, the GC values of EEG→EMG (down) and EMG→EEG (up) in the alpha and beta bands are significantly higher than those in the gamma band. The cortical-muscular causal network of stroke patients does not have small-world properties. The result indicates that the proposed method is able to characterize functional connections of brain myoelectric synchronization in different frequency bands within the time-frequency domain. It also uncovers the causal association that inherently exists in the human sensorimotor control system, providing a theoretical basis for further evaluation and quantification of the human sensorimotor control system.

SUBJECTIVE ANALYSIS OF QUALITY INDICATORS OF MEDICINAL PRODUCTS

The purpose of the study is to assess the quality indicators and side effects of medicinal substances from a subjective point of view. Materials and methods. 40 attending therapeutists, 45 pharmacists and 100 patients were involved in the study at the Department of Pharmaceutical Technologies and Management and the Department of Medical and Biological Physics, the Azerbaijan Medical University in order to assess the quality indicators and side effects of medicinal substances from a subjective point of view. At the first stage, a special survey was used to study which factors, such as efficacy, safety, quality and price of drug, are accepted as the main criteria when prescribing a particular drug in research institutions.Results: Among the surveyed internists, 31 individuals, constituting 77.5% of the participants, emphasized the significance of product quality when prescribing medications. Two pharmacists from the total surveyed mentioned drug-induced side effects affecting the respiratory system. Furthermore, 77.5% of internists engaged in the survey reported that medicinal substances resulted in gastrointestinal side effects not explicitly outlined in the instructions. 88.9% of participating pharmacists noted drug-induced side effects on the gastrointestinal system in patients. Conclusions: The effective resolution of the issue investigated in this study hinges on the practical implementation of modern and enhanced pharmacovigilance methods to monitor the circulation of substandard medicines. This requires fostering a responsible attitude among all stakeholders, including the primary subjects of treatment, towards timely detection and improvement of drug safety. In clinical practice, instances of adverse reactions in patients using medications have frequently been observed. Most commonly, doctors and pharmacists noted similar reactions originating from the gastrointestinal tract, with respiratory system issues reported less frequently. When selecting medications, both doctors and pharmacists prioritize effectiveness, safety, and quality, with cost being of lesser importance.

A Review of Different Approaches for Improving Curcumin Bioavailability

The creation and development of herbal nanoparticles have moved to the forefront of nanoformulation research. Curcumin is the most essential bioactive component of curcuma longa, a plant that has been utilized in traditional medicine for centuries. This chemical contains therapeutic properties that can be utilized to prevent and treat a wide range of ailments. Curcumin has proven therapeutic efficacy in the treatment of a range of human ailments, however, it has a limited bioavailability, which appears to be due to poor absorption, rapid metabolism, and rapid systemic clearance. As a result, nanotechnology is a revolutionary concept that can be used to curcumin solubility, stability, and bioavailability issues. This review examines contemporary developments in chemical and pharmaceutical technologies, as well as the utilization of innovative materials for medical applications.
 Keywords: Curcumin, Nanotechnology, Nanoformulation, Bioavailability

Expert Revision of Key Elements for Clinical-Grade Production and Qualification of Perinatal Derivatives.

Perinatal derivatives have been proposed as adjunct therapeutic strategies or innovative treatments. Undoubtedly, perinatal derivatives can offer the opportunity and source material to isolate multipotent stem cells, but both maternal- and fetal-derived tissues can be processed and transformed into engineered tissues or advanced biomedical devices, whose potential remains to be fully elucidated. Promising preclinical and clinical results collected so far clearly foresee an escalation of such novel treatments. Market forecasts predict exponential growth in such advanced medicinal products during the next decade, with a pragmatic innovation for medicine into a more advanced biomedical version, enlarging the portfolio for treating a wide range of congenital and acute conditions. However, all these promising and fascinating therapeutic possibilities cannot gain a solid and recognized role in established medical practice without rigid and harmonized manufacturing strategies. The implementation of strategies according to guidelines and directives compiled by Regulatory Agencies, in conformity to (European) Pharmacopoeia and for Good Manufacturing Practice -conforming production of such products, represent critical steps required to translate perinatal technologies into effective therapeutic approaches. During the past 5 years, a panel of European experts and developers, gathered under the umbrella of the COST Sprint Action, supported by the European Cooperation in Science and Technology action, had the opportunity to revise and summarize experience and recommendations for a fruitful and proficient generation of perinatal biomedical products. In order to facilitate the creation and potential commercialization of perinatal bioengineered and advanced pharmaceutical products and technologies, such a collection of data and recommendations is described and discussed here.

Formulation and investigation of hydrogels containing an increased level of diclofenac sodium using risk assessment tools

Transdermal delivery of active ingredients is a challenge for pharmaceutical technology due to their inadequate penetration properties and the barrier function of the skin. The necessity of painless, effective, topical therapy for the aging population is growing, and a variety of diclofenac sodium-containing semi-solid preparations are available to alleviate the symptoms of these ailments.Our purpose was to formulate a novel composition with higher drug content to enhance drug release and permeation, thereby providing more effective therapy. Another goal was to maintain the concentration of the organic solvent mixture below 30%, to protect the skin barrier.Firstly, literature and market research were conducted, based on which the appropriate excipients for the target formulation were selected. Solubility tests were conducted with binary and ternary mixtures. As a result, the optimal ternary mixture was chosen. Hydrogels containing 1, 5, and 7% of diclofenac sodium were prepared and the stability of the formulations were studied by microscopic measurements and cytotoxicity test were carried out of the components also. The release and permeation of diclofenac sodium were investigated in different concentrations.It can be concluded that we have succeeded in preparing a topically applicable stable diclofenac sodium hydrogel with higher concentration, drug release, and improved skin permeation than the formulations available on the market.

International Trade in Pharmaceutical Products

The global alternative to pharmaceutical products plays a pivotal role in ensuring global access to critical medicines, riding the economic boom, and fostering innovation in the healthcare sector. This summary delves into the multifaceted dimensions of international pharmaceutical trade by examining its significance, demanding situations, and destiny possibilities. Pharmaceutical alternatives encompass the import and export of various medicinal products together with prescribed drugs, vaccines, clinical devices, and energetic pharmaceutical ingredients. Globalization of pharmaceutical production has led to elaborate supply chains, where raw materials, research, manufacturing, and distribution span more than one international location. This interconnected ness has facilitated greater entry into drug treatments worldwide, especially in growing international locations, assisting in disease manipulation and public fitness. However, these challenges persist in the future. Regulatory disparities among international locations, including differing excellent requirements and intellectual asset protection, can obstruct change flows. Problems such as counterfeit capsules and the need for the harmonization of regulatory tactics complicate matters. Moreover, issues over affordability and equity get admissions to underscore the delicate stability among highbrow rights and public fitness priorities. The future of the global pharmaceutical trade is promising and uncertain. The ongoing COVID-19 pandemic has highlighted the importance of resilient delivery chains and collaborative research efforts. accelerated interest in telemedicine, and digital fitness solutions can reshape change dynamics. Furthermore, the controversy surrounding pharmaceutical patents and technology switches may affect trade rules and practices, particularly in the context of global health emergencies

Efikasi salep dari ekstrak daun Turi (Sesbania Grandiflora) sebagai penyembuhan luka bakar terhadap Kelinci (Oryctolagus Cuniculus)

Background: Burns are frequent injuries and can cause serious health problems. Turi leaf extract (Sesbania Grandiflora) has been used as a traditional medicine to treat burns. This study was conducted to determine the effectiveness of ointment from turi leaf extract in healing burns in rabbits.Objectives: This study aimed to evaluate the effectiveness of turi leaf extract cream in rabbits' recovery burnsMethods: The study uses experimental research methods with a single factor design. (single factor design). As for the location of this research, it was carried out in the Pharmaceutical Technology Laboratory of semi-solid preparation, Pharmacy Studies Program of the Faculty of Health Sciences, Muhammadiyah University of Palopo. The study was conducted in the period January-February 2023. The sample used is fresh turia leaves (Sesbania Grandiflora) that are green and cleaned or disorted, then washed with running water until clean. Samples of turi leaves are dried with winding for 3-5 days. The sample is then sprayed with a blender. The data to be analyzed is the percentage of burn healing obtained by measuring the average diameter of the burn. Measurement is done once a day.Results: The results of the study showed that rabbits who were given turia leaf extract ointment had a faster burn healing process compared to the rabbit who was given regular ointments. The area of burns in rabbits given turia leaf extract ointment is also smaller than the rabbit given regular ointments. The ointment from the turia leaf extract is effective in healing burns in rabbits. The results of this study showed that on the 14th day, burns in mice given the FIII dose group (concentration of 7,5%) had the greatest effect on wound healing, followed by the FII dose group (5%) which had a 99,70% healing percentage. The FI dose group had a healing percentage of 85,69%, a positive control of 90,15%, and a negative control of 63,29%.Conclusion: it can be concluded that the ethanol extract of senggani leaves has the potential to heal burns in rats. The FIII dose group that had the highest concentration showed the greatest effect on wound healing. However, the FII dose group with lower concentrations also showed a significant effect in healing burns in rats.

Penggunaan Model Pembelajaran Market Place Activity dalam Meningkatkan Keaktifan Belajar Siswa Pada Mata Pelajaran PAI

This research was motivated by the problem of teacher difficulties in determining learning models and decreased student learning activity. The purpose of this study is to increase student learning activity through the Market Place Activity learning model. This research is a class-based action research, this research is conducted in two cycles. Each cycle consists of four activities: action planning, observation, and reflection. The subject of this study was students of Class X Pharmaceutical Technology 1 SMK YPF Bandung. Data collection is done through documentation, observation, interviews, field notes, and research instruments. Data analysis is done by reducing data, presenting data, and drawing conclusions. The results of this study show that the MPA learning model can increase the activeness and learning outcomes of class X Information Technology 1 students of SMK YPF Bandung. This learning model can also stimulate students to be actively involved in both physical and non-physical learning (thinking).

BioHabana 2022: Preventive and Immunotherapeutic Strategies Against COVID-19 and Cancer in Cuba.

The convergence of life sciences with neurosciences, nanotechnology, data management, and engineering has caused a technological diversification of the biotechnology, pharmaceutical, and medical technology industries, including the phenomenon of digital transformation, which has given rise to the so-called Fourth Industrial Revolution (Industry 4.0). Confronting the COVID-19 pandemic revealed the outstanding response capacity of the scientific community and the biopharmaceutical industry, based on a multidisciplinary and interinstitutional approach that has achieved an unprecedented integration in the history of biomedical science. Cuba, a small country, with scarce material resources, has had remarkable success in controlling the disease, which also highlights the impact of social factors. This report presents a summary of the most relevant presentations of selected topics during the scientific meeting, "BioHabana 2022: Cancer Immunotherapy and the COVID-19 Pandemic," which was held in Havana Cuba in April 2022.

The Application of Virtual Simulation Technology in the Teaching Reform of Chemical Pharmaceutical Technology Practical Training in Higher Vocational College

With the progress of science and technology, virtual simulation technology has become an important tool for innovation in the field of higher vocational education. Especially in chemical pharmaceutical technology, which is a course with strong practicality. While the traditional practical training mode is limited by equipment, safety, cost, etc., which is difficult to meet the demand of teaching and enterprise. This paper focuses on the current situation and challenges of chemical-pharmaceutical technology practical training teaching in higher vocational colleges, discussing the reform significance and application examples of the introduction of virtual simulation technology on the course content, teaching mode and teaching effect, in order to build a modern teaching method that is efficient, safe and economical.

Introduction to Editor in Chief

Prof. Maria Daglia obtained her PhD degree in Pharmaceutical Chemistry and Technology at the University of Pavia (Italy), and is currently a full professor of food chemistry at the University of Naples Federico II, Italy and visiting professor at the International Research Center for Food Nutrition and Safety, Jiangsu University, Zhenjiang China.

Progress in Antimelanoma Research of Natural Triterpenoids and Their Derivatives: Mechanisms of Action, Bioavailability Enhancement and Structure Modifications

Melanoma is one of the most dangerous forms of skin cancer, characterized by early metastasis and rapid development. In search for effective treatment options, much attention is given to triterpenoids of plant origin, which are considered promising drug candidates due to their well described anticancer properties and relatively low toxicity. This paper comprehensively summarizes the antimelanoma potential of natural triterpenoids, that are also used as scaffolds for the development of more effective derivatives. These include betulin, betulinic acid, ursolic acid, maslinic acid, oleanolic acid, celastrol and lupeol. Some lesser-known triterpenoids that deserve attention in this context are 22β-hydroxytingenone, cucurbitacins, geoditin A and ganoderic acids. Recently described mechanisms of action are presented, together with the results of preclinical in vitro and in vivo studies, as well as the use of drug delivery systems and pharmaceutical technologies to improve the bioavailability of triterpenoids. This paper also reviews the most promising structural modifications, based on structure–activity observations. In conclusion, triterpenoids of plant origin and some of their semi-synthetic derivatives exert significant cytotoxic, antiproliferative and chemopreventive effects that can be beneficial for melanoma treatment. Recent data indicate that their poor solubility in water, and thus low bioavailability, can be overcome by complexing with cyclodextrins, or the use of nanoparticles and ethosomes, thus making these compounds promising antimelanoma drug candidates for further development.

Optimization methods for multi-criteria decisions in pharmacy

Optimization methods for multi-criteria decisions in pharmacy
 In pharmaceutical technological research, the determination of the quantitative composition of granules is considered as a task of multi-criteria selection. Today, to solve this problem, the regression analysis and multi-criteria optimization methods are widely used; they are based on mathematical models obtained for the object under study.
 Aim. To identify a decision-making method in a multi-criteria space that is effective for use in pharmaceutical technology research with quantitative factors.
 Materials and methods. The study uses tools of the popular computer mathematics system Mathcad (MathSoft Ins., USA) to automate the solution of mathematical problems. To automatically search for the type and coefficients of regression equations, the MS Excel application was used, namely: the data analysis package (regression analysis). The MS Word processor was used to edit the code.
 Results. A variety of approaches to the formalization of the multi-criteria optimization task have been studied. The optimal quantitative content of excipients when developing the granule technology has been found using two different optimization criteria, which are formed according to different methodical approaches. The method proposed does not provide for the mandatory introduction of gradation of individual criteria or their weighting factors.
 Conclusions. As a result of the comparison of multi-criteria optimization methods, the effectiveness of the decision-making method in the multi-criteria space has been shown; it synthesizes a mathematical procedure related to the vector of criteria and is based on determining the ideal point and introducing the concept of a norm into the space of functionals; it has not been mathematically proven, but it is practically useful decision-making algorithm compared to the mathematical method of convolution of criteria. The optimization method proposed has advantages that are manifested in the possibility of using a relatively simple mathematical apparatus and simplified logic of obtaining a solution.

Virtually Possible: Enhancing Quality Control of 3D-Printed Medicines with Machine Vision Trained on Photorealistic Images.

Three-dimensional (3D) printing is an advanced pharmaceutical manufacturing technology, and concerted efforts are underway to establish its applicability to various industries. However, for any technology to achieve widespread adoption, robustness and reliability are critical factors. Machine vision (MV), a subset of artificial intelligence (AI), has emerged as a powerful tool to replace human inspection with unprecedented speed and accuracy. Previous studies have demonstrated the potential of MV in pharmaceutical processes. However, training models using real images proves to be both costly and time consuming. In this study, we present an alternative approach, where synthetic images were used to train models to classify the quality of dosage forms. We generated 200 photorealistic virtual images that replicated 3D-printed dosage forms, where seven machine learning techniques (MLTs) were used to perform image classification. By exploring various MV pipelines, including image resizing and transformation, we achieved remarkable classification accuracies of 80.8%, 74.3%, and 75.5% for capsules, tablets, and films, respectively, for classifying stereolithography (SLA)-printed dosage forms. Additionally, we subjected the MLTs to rigorous stress tests, evaluating their scalability to classify over 3000 images and their ability to handle irrelevant images, where accuracies of 66.5% (capsules), 72.0% (tablets), and 70.9% (films) were obtained. Moreover, model confidence was also measured, and Brier scores ranged from 0.20 to 0.40. Our results demonstrate promising proof of concept that virtual images exhibit great potential for image classification of SLA-printed dosage forms. By using photorealistic virtual images, which are faster and cheaper to generate, we pave the way for accelerated, reliable, and sustainable AI model development to enhance the quality control of 3D-printed medicines.

Novel formulation of uncoated enteric capsule shells: Study the effect of gelling agents and salts on the rheology and physical properties

Currently, pharmaceutical technology offers new choices for protecting acid-sensitive substances from the stomach environment by dosage form of an enteric coating or the encapsulation of drugs in enteric capsules. Coating gelatin capsules is challenging, cost-intensive, and energy-consuming, as the smoothness of their surface hinders the adhesion of the film. In this study, the formulation of an uncoated gelatin-based enteric capsule shell composite is developed. The effect of four different gelling agents and six salts on the preparation of capsules is investigated. Potassium acetate (KAC) and κ-carrageenan are examined and selected as the best salt and gelling agent, respectively. The physicochemical, surface, and cross-section morphology, mechanical, and drug release properties of prepared enteric capsules (without (F1) and with (F2) gelatin) were characterized. The drug release of optimized capsules (F1, F2) was tested using pantoprazole. The results showed high stability (120 min) of prepared capsules in the stomach environment with no release (pH = 1.2), and then started to release in the intestinal medium (pH = 6.8) after 16 min, which is great according to the definition of the enteric capsule. Furthermore, the tensile strength of gelatin-based enteric capsules and pure gelatin capsules was tested and compared.

How does the COVID-19 Affect the Shanghai Composite Index and How does this Affect Investors' Portfolio

In the period of COVID-19, Chinese economy were affected negatively so does the financial system since it had the first confirmed case. The article aims to find to what extent does the pandemic affect Shanghai Composite Index in comparison with no virus. ARIMA model is used to estimate prices of the index in the absence of COVD-19. The results show different degree of decreasing prices of the index in comparison of two cases. Some stocks are impacted negatively, while others such as pharmaceutical, education and information technology mitigate the extent of decreasing prices of stock. There a few studies using ARIMA model to predict how Shanghai Composite Index would be influenced in the absence of COVID-19 and compare it with the actual observations. Through this study, the effect of the pandemic on the index can be found, which implies the whole investing environment. Researchers can use this result to compare the effects of the virus on the financial market in absence and presence of the pandemic. Moreover, investors may be aware of timing that the government and dealers take actions to avoid huge decrease of the price of the index. They may have some understanding of when to do bottom hunting to earn profits. Finally, policy makers and investors may know how long the monetary policies takes effect in the market, which is beneficial for future policy uses.

Kaempferol: Topical Applications and Nanoformulations in the Treatment of Diseases

Abstract: Kaempferol, a natural flavonoid found in numerous fruits, vegetables, and herbs, possesses many pharmacological activities such as antioxidant, anti-inflammatory and anti-cancer. Kaempferol has low aqueous solubility and hence has poor oral bioavailability. Numerous promising techniques were used to enhance its absorption and structural transformation to deliver kaempferol. Novel pharmaceutical technologies, including nanotechnology, carrier complex and cocrystals have been established. However, this review discusses how to deliver kaempferol via topical route in many diseases. This is the earliest review that aims to provide updated information on chemistry, bioavailability, biosynthesis, therapeutic effects and available nanoformulations of kaempferol. It also provides future directions so that the overall bioavailability of kaempferol might be improved, and it may show expansive applications.

Improving the quality of foreign language training of pharmaceutical specialists using digital technologies in the context of advanced professional education

The problem and the aim of the study. The main problems of employment for Russian specialists in international pharmaceutical companies and their representative offices in the Russian Federation are insufficient level of foreign language training and digital literacy. At the same time, a prerequisite for the admission of a pharmacist to work in the framework of continuing medical education is the completion of advanced training courses. The purpose of the article is to study possibilities of using digital technologies for the development of the foreign language communicative competence of pharmaceutical specialists in the context of advanced professional education. Research methods. Experimental and search work is carried out within the framework of the strategic partnership between the Vyatka State University and the NANOLEK company (Russian Federation). The experiment involves 52 pharmaceutical specialists. The use of digital technologies to enhance foreign language communication is implemented within the framework of the program "English in the field of professional communication" (144 academic hours, 4 months of training and 2 hours of final certification). MS Teams, LearningApps, eTreniki, Quizlet, etc. are used during foreign language activities. To determine the quality of preparation, the teachers developed testing which consists of 5 blocks: “Digital technologies when solving professional tasks”, “Project activity”, “Communication”, “Management”, “Analytics”. χ2 -Pearson criterion is used for statistical data processing. Results. The key feature of the program is that its structure and content are developed in close partnership between the university and specialists in the field of pharmaceutical production and engineering. The students of the experimental group use digital technologies (with official technical support) to activate foreign language professional communication, network collaboration and project activities. Statistically significant differences in the qualitative changes were identified (χ2 = 8.508; p < 0.05). In conclusion, the conditions which contribute to improving the quality of foreign language training: accumulation and analysis of the relevance of using digital technologies, expanding the knowledge of program participants, mastering the basic strategies of project work and reflection techniques are described.

Combining large-scale investigation and quantum chemical calculation of pharmaceuticals: Spatiotemporal patterns of occurrence and structural insights into removal

This study investigated the spatiotemporal distribution of 17 pharmaceuticals in wastewater treatment plants (WWTPs) from 17 provinces across China, and explored structural insights into their removal in full-scale wastewater treatment processes by quantum chemistry. Briefly, 10 pharmaceuticals were detected in above 85 % of samples, of which ibuprofen and sulfamethoxazole dominated with concentrations up to the μg/L level. Seasonally, concentrations of psychoactive drugs (PDs) were 1.3–2.6 times higher in summer than in other seasons. Spatially, higher average concentrations were detected in northern WWTPs, and regions with similar economic levels exhibited similar contamination patterns. Pharmaceutical removal in WWTPs ranged from 41.4 % (carbamazepine) to 87.2 % (sulfamethizole), with the secondary treatment segment, especially aerobic treatment units, maintaining an important position. Molecular structural mechanisms behind these removal performances were further revealed. Firstly, we demonstrated a significant association of pharmaceutical overall removal with electrophilicity index (ωcubic) as well as the lowest unoccupied molecular orbital energy (ELUMO). Highly electrophilic pharmaceuticals may persist in WWTPs and their sensitivity to electron exchange reactions accounted for the discrepant removal. In terms of treatment segments, pharmaceuticals with reaction sites masked in molecular structure, such as ibuprofen and venlafaxine, showed a propensity for tertiary treatment suitability. Furthermore, enzymes of aerobic units exhibited excellent docking affinity to pharmaceutical molecules with an average affinity of −7.2 kcal/mol, and hydrogen-bond interactions played an important factor in promoting biodegradation. Our results emphasize the necessity of assessing pharmaceutical contamination on a larger spatiotemporal scale. Moreover, the structural insights into removal phenomena offer scientific molecular-level justification for the design and optimization of pharmaceutical treatment technologies in WWTPs.