World Academy of Science, Engineering and Technology

Authors: Hadush Gebrehiwot, Yadessa Melaku, Muhdin Aliye, Urgessa Ensermu, Aman Dekebo, Daniel Rentsch, Mo Hunsen

Abstract:

Cyphostemma adenocaule is a medicinal plant traditionally used to treat rabies, snake bite, diarrhea, and wound healing. To address the bioactive compounds exhibiting these activities, we performed a comprehensive study on the roots of the plant. Thus, the present study aims to inspect the in vitro antioxidant, antibacterial, and anticancer efficacy of compounds isolated from the combined dichloromethane: methanol (1:1) and methanol extracts of C. adenocaule, along with the in silico study of their interaction with selected protein targets. Silica gel column chromatography technique was used for the isolation of compounds, and the antibacterial and antioxidant activities were evaluated using agar disc diffusion and DPPH radical scavenging assays, respectively. Furthermore, in silico molecular docking screening, pharmacokinetics, and toxicity protocols of the compound isolates were performed to offer the potential applications of the compounds in developing novel medications. A BIOVIA Discovery Studio in combination with AutoDock Vina 4.2 software, SwissADME, and ProTox-II prediction web tools was used to generate the molecular docking, pharmacokinetics, and toxicity profiles, respectively. Notably, the chromatographic separation of the combined extracts afforded six known compounds, named β-sitosterol (1), 3-hydroxyisoagatholactone (2), ε-viniferin (3), myricetin (4), tricuspidatol A (5), and parthenocissin A (6). The in vitro antibacterial activities revealed the highest inhibition zone by tricuspidatol A (5) (16.67 ± 0.47), showcasing its potent activity against S. aureus at 2 mg/mL, compared to ciprofloxacin (21.50 ± 0.41). ε-Viniferin (3) (IC50: 0.32 μg/mL) exhibited greater antioxidant activity than the others and displayed promising results compared to ascorbic acid (0.075 μg/mL). The molecular docking study revealed the highest binding affinity by ε-viniferin (3) (-9.9 kcal/mol) against topoisomerase II α. 3-hydroxyisoagatholactone (2) and ε-viniferin (3) fulfilled Lipinski’s rule with no violation, and the organ toxicity predictions revealed that all the compounds showed no cytotoxicity and hepatotoxicity effects. Thus, this study's combined in vitro and in silico outcomes suggest the potential use of the isolated compounds in drug discovery and support the traditional relevance of C. adenocaule.

Keywords: antibacterial activity, anticancer activity, antioxidant activity, cyphostemma adenocaule, drug likeness, molecular docking, pharmacokinetic properties

Procedia PDF Downloads 9

Authors: Claudineia Brazil, Luciana Da Silva Mieres, Arthur Da Fontoura Tschiedel, Luciane Salvi, Daniela Forgiarini Da Silva, Rita De Cassia Marques Alves

Abstract:

The state of Rio Grande do Sul, located in the southernmost region of Brazil, demands reliable meteorological information to support urban planning, environmental management, and public policy formulation. In this context, climate reanalysis datasets have gained importance for offering consistent, long-term atmospheric data with high spatial and temporal resolution, especially in regions with sparse observational networks.One prominent example is the ERA5 dataset, developed by the Copernicus Climate Change Service. ERA5 provides global atmospheric data since 1950, generated by assimilating observational data into advanced numerical weather prediction models. This approach allows the reconstruction of historical weather conditions with a high degree of detail and continuity. The dataset includes a wide range of variables—such as temperature, precipitation, wind, and pressure—and has been widely applied in climatological, hydrological, and environmental research worldwide.This study aims to evaluate the quality of ERA5 data for the state of Rio Grande do Sul, with emphasis on precipitation and other relevant atmospheric parameters. To validate the reliability of ERA5, its outputs will be compared with ground-based measurements from the meteorological station of the National Institute of Meteorology (INMET), which follows standardized and calibrated procedures for data collection.The methodology involves the acquisition and preprocessing of data from both sources, followed by a detailed statistical evaluation. Metrics such as correlation coefficient, mean absolute error (MAE), root mean square error (RMSE), coefficient of determination (R²), and the Nash-Sutcliffe efficiency coefficient (NSE) will be used to quantify the performance of the ERA5 dataset. The analysis will assess ERA5’s ability to capture seasonal patterns, extremes, and spatial precipitation variability. The goal is to verify its suitability for regional studies in Rio Grande do Sul, supporting its use in climate analysis, environmental planning, and decision-making. The findings aim to guide future research and promote the informed use of reanalysis data in southern Brazil.One of the limitations of ERA5 is its spatial resolution, which, although high for a global dataset, may be insufficient to capture the local variability of atmospheric parameters, especially in areas with complex terrain.

Keywords: climate adaptation, environmental management, reanalysis data, weather validation

Procedia PDF Downloads 8

Authors: Luciana Silva Mieres, Arthur Fontoura Tschiedel, Claudineia Brazil

Abstract:

Climate change has contributed to the increasing frequency and intensity of extreme events such as floods, droughts, and landslides, leading to increasingly severe social, economic, and environmental impacts. In Brazil, the situation is particularly concerning in the state of Rio Grande do Sul, where recent floods have left a trail of destruction and exposed the urgent need for investment in disaster prevention and monitoring. In this context, technologies such as Artificial Intelligence are emerging as promising tools to anticipate disasters and minimize damage. This study proposes the use of a Long Short-Term Memory (LSTM) recurrent neural network to forecast water levels of the Caí River, in the municipality of São Sebastião do Caí, located in the southern region of Brazil. The city has a long history of flooding, making it a relevant case for the development of more effective early warning systems. The work is based on a 32-year historical series of daily river level and precipitation data provided by the Brazilian National Water Agency (ANA). To improve the accuracy of the predictions, the study incorporates rainfall data obtained through remote sensing, which offers broader spatial coverage and helps identify extreme event patterns more clearly. The inclusion of this type of data is a key strategy to address gaps in conventional measurements and enhance the model’s predictive capacity. The methodology involves several steps, including data processing and organization, value normalization, and preparation of the dataset in the format required by the LSTM model. The data will be split into two groups: 70% for training and 30% for testing. A search for the best hyperparameter configuration will be carried out, and the model’s performance will be assessed using metrics such as Mean Squared Error (MSE), Root Mean Squared Error (RMSE), and the Nash-Sutcliffe Efficiency (NSE) coefficient, among others. Beyond measuring accuracy, the research aims to highlight the potential of integrating remote sensing data in hydrological modeling, especially in contexts with limited or inconsistent monitoring infrastructure. The goal is to provide technical support for public decision-making, particularly for civil defense agencies, in improving disaster response and mitigation strategies. Ultimately, the use of AI-based models such as LSTM is expected to contribute meaningfully to strengthening early warning systems and reducing the impacts of extreme hydrometeorological events.

Keywords: — artificial intelligence, flood events, hydrological forecasting, remote sensing

Procedia PDF Downloads 8

Authors: Claudineia Brazil, Luciana Mieres, Arthur Tschiedel, Luciane Salvi

Abstract:

Brazil stands out for its high solar radiation levels, which surpass those of several European countries that already have well-established solar energy programs, such as Germany, France, and Spain. In this context, the state of Rio Grande do Sul has emerged as a key player in Brazil’s photovoltaic energy expansion. However, a major challenge remains: the limited availability of reliable and spatially distributed surface solar radiation data, which hinders more precise energy planning and modeling, especially in regions with sparse meteorological monitoring. To address this issue, the present study investigates the use of solar radiation estimates from the MERRA-2 (Modern-Era Retrospective Analysis for Research and Applications, Version 2) reanalysis dataset. The goal is to evaluate its performance in relation to ground-based observations used in the Solar Atlas of Rio Grande do Sul, thus assessing its applicability in areas where observational data are missing or incomplete. The analysis is based on four statistical metrics: bias, which measures the tendency of the reanalysis data to overestimate or underestimate solar radiation compared to observed values, also called systematic error; mean squared error (MSE), similar to the mean absolute error (MAE) but more sensitive to large errors by squaring individual differences — MSE is always positive, with zero indicating perfect simulation; mean absolute error (MAE), considered a precise measure as it is less influenced by outliers and reflects the ability of numerical models to reproduce observed conditions; and the concordance index (CI), ranging from 0 to 1, where 1 indicates perfect agreement between simulated and observed data. Additionally, the Nash-Sutcliffe efficiency coefficient (NSE) is employed to further evaluate the efficiency of MERRA-2 data in reproducing observed solar radiation patterns. Observed data were obtained from 34 automatic weather stations maintained by INMET and processed specifically for the Solar Atlas. MERRA-2, developed by NASA’s GMAO, is a global dataset that integrates satellite observations and numerical modeling to provide long-term, consistent meteorological records. It also incorporates aerosol data and improvements in the representation of surface and atmospheric processes, making it particularly useful in climate and energy studies. The results demonstrate that MERRA-2 provides good agreement with the observed data, with a concordance index ranging from 0.75 to 0.86 and an average around 0.80. These findings suggest that MERRA-2 is a reliable source of solar radiation estimates for regions like Rio Grande do Sul, where surface data coverage is often insufficient. Given the growing importance of solar energy in Brazil’s energy matrix and the need for consistent datasets to support planning and policy-making, the use of MERRA-2 appears to be a practical and effective solution for bridging data gaps. This study reinforces the value of reanalysis datasets as a complementary tool in solar resource assessment, particularly in areas lacking extensive observational networks.

Keywords: concordance index, MERRA-2, reanalysis data, solar radiation

Procedia PDF Downloads 8

Authors: Luis Adolfo Wandscheer Krieger, Pedro Lucas Frizzo Lopes, Claudineia Brazil, Arthur Tschiedel, Luciana Mieres, Luciane Salvi

Abstract:

This study aims to investigate possible relationships between meteorological variables and atmospheric pollutant concentrations in the Metropolitan Region of Porto Alegre (RMPA) from 2018 to 2024, with a focus on the changes observed during the COVID-19 pandemic. The pollutants analyzed include PM₁₀, SO₂, NO₂, O₃, and CO, along with meteorological variables such as air temperature, relative humidity, wind speed, and precipitation. Data were obtained from automatic air quality monitoring stations and the National Institute of Meteorology (INMET). The analysis compares three distinct periods: pre-pandemic (2018–2019), pandemic (2020–2021), and post-pandemic (2022–2024), aiming to identify patterns of pollutant variation and possible associations with atmospheric conditions and changes in human activity. To ensure a comprehensive understanding of the data, various statistical techniques are applied, including Pearson and Spearman correlation analysis, significance tests (such as ANOVA and Kruskal-Wallis), multivariate statistical modeling (such as multiple linear regression and principal component analysis – PCA), cluster analysis (to identify groups with similar patterns among meteorological variables and pollution levels), boxplot graphs (to assess dispersion and detect outliers), mean calculations (to represent central values), as well as trend and seasonality analysis (to identify systematic movements and periodic variations in time series). This study contributes to understanding urban atmospheric dynamics under different emission contexts, providing technical and scientific support for air quality management and the development of environmental policies for metropolitan regions.

Keywords: air quality, atmospheric pollution, meteorology, COVID-19

Procedia PDF Downloads 9

Authors: Milene Telles Cerqueira, Claudineia Brazil, Luciane Teresa Salvi, Vitor Silva

Abstract:

The study compared the performance of monocrystalline and polycrystalline photovoltaic modules in two distinct climates: Cuiabá (MT) and Porto Alegre (RS), Brazil. Simulations were conducted using PVSyst software, based on a standard on-grid residential system with an average monthly consumption of 450 kWh. For the simulation of photovoltaic system performance, PVSyst uses as input climatic data the global solar irradiation, which can be subdivided into direct normal and diffuse irradiation, ambient temperature, wind speed, and, when available, atmospheric pressure. Additionally, geographic information such as latitude, longitude, and altitude is essential for accurate calculation of solar positioning and the angle of incidence of radiation on the modules. These data were obtained from recognized meteorological databases, including Meteonorm, NASA SSE, and Typical Meteorological Year (TMY), ensuring a realistic and detailed analysis of the system’s energy potential. Both types of modules met the expected energy demand, but monocrystalline panels showed greater long-term efficiency and performance stability. Cuiabá achieved higher energy output due to stronger solar irradiation, while Porto Alegre showed better performance ratios (PR), favored by milder temperatures that reduce thermal losses. Polycrystalline modules required a larger installation area, which can be a constraint when space is limited. The research also emphasizes that the selection of photovoltaic technology must consider local climate conditions, available roof or ground space, and long-term energy goals. Taking these factors into account is crucial to ensure maximum system efficiency, optimal energy use, and a satisfactory return on investment in solar energy systems.

Keywords: arduino, climate monitoring, environmental education, precipitation, sustainability

Procedia PDF Downloads 9

Authors: Laíne Schneid Martins, Claudineia Brazil, Luciane Teresa Salvi, Jacinto Manuel Antunes de Almeida

Abstract:

The study compared the performance of monocrystalline and polycrystalline photovoltaic modules in two distinct climates: Cuiabá (MT) and Porto Alegre (RS), Brazil. Simulations were conducted using PVSyst software, based on a standard on-grid residential system with an average monthly consumption of 450 kWh. For the simulation of photovoltaic system performance, PVSyst uses as input climatic data the global solar irradiation, which can be subdivided into direct normal and diffuse irradiation, ambient temperature, wind speed, and, when available, atmospheric pressure. Additionally, geographic information such as latitude, longitude, and altitude is essential for accurate calculation of solar positioning and the angle of incidence of radiation on the modules. These data were obtained from recognized meteorological databases, including Meteonorm, NASA SSE, and Typical Meteorological Year (TMY), ensuring a realistic and detailed analysis of the system’s energy potential. Both types of modules met the expected energy demand, but monocrystalline panels showed greater long-term efficiency and performance stability. Cuiabá achieved higher energy output due to stronger solar irradiation, while Porto Alegre showed better performance ratios (PR), favored by milder temperatures that reduce thermal losses. Polycrystalline modules required a larger installation area, which can be a constraint when space is limited. The research also emphasizes that the selection of photovoltaic technology must consider local climate conditions, available roof or ground space, and long-term energy goals. Taking these factors into account is crucial to ensure maximum system efficiency, optimal energy use, and a satisfactory return on investment in solar energy systems.

Keywords: climatic conditions, energy performance, solar energy, photovoltaic modules, pvsyst

Procedia PDF Downloads 7

Authors: Nawel Boucherba

Abstract:

Keratinases (E.C 3.4.21/24/99.11) consist of a particular class of protein-hydrolyzing enzymes synthesized by microorganisms with the ability to degrade insoluble keratinous substrates into valueadded products. These catalysts generally hydrolyze soluble proteins efficiently compared to insoluble ones, like keratins, and have advantages over conventional proteolytic enzymes regarding stability over a wide class of environmental conditions, This study focused on the isolation of actinobacteria capable of producing extracellular keratinase from keratin-rich residues, which led to the selection of an actinobacterial strain referenced as Streptomyces strain DZ 06 (ES41). Methods :The Plackett–Burman screening plan was used for the statistical optimization of the enzymatic production medium, leading to the identification of five key parameters that achieved a maximum activity of 180.1 U/mL. Further refinement using response surface methodology (RSM) with a Box–Behnken design enhanced enzyme production to approximately 458 U/mL. Results : Model validation, based on the statistical predictions, demonstrated that optimal keratinase activity of 489.24 U/mL could be attained with 6.13 g/L of chicken feather meal, a pH of 6.25, incubation at 40.65 °C for 4.11 days, and an inoculum size of 3.98 × 107 spores/mL. The optimized culture conditions yielded a 21.67-fold increase in keratinase compared with the initial non-optimized standard conditions. Interpretation : The optimized parameters and characteristics of Streptomyces sp. strain DZ 06 (ES41), including optimal growth using an inexpensive substrate under conditions of near-neutral pHand mesophilic temperature, with a standard inoculum size for an ideal incubation time, can support sustainable growth and attractive keratinase yield without additional external requirements Conclusion : The results show that this bacterium is an excellent candidate for industrial applications when optimal conditions are used to minimize the overall costs of the enzyme production process.

Keywords: keratinase, keratin residues, chicken feather meal, keratinase activity, actinobacteria, biodegradation, Plackett–Burman, response surface methodology.

Procedia PDF Downloads 9

Authors: Kimia Khalatbari, Behnaz Bakhshandeh

Abstract:

Damage to different skin regions often requires specialized therapeutic approaches, which may lead to adverse side effects and pose risks of irreversible harm to patients.The application of skin tissue engineeringwhose global market is rapidly expandingoffers promising improvements in dermatological treatments by enhancing patient recovery quality and reducing treatment duration. In particular, extracellular vesicles (EVs) derived from probiotic bacteria serve as complementary or alternative therapeutic agents in skin tissue repair and wound healing. These membrane-derived phospholipid bilayer nanocarriers facilitate intercellular communication by delivering biological and pharmaceutical cargo that stimulate dermal fibroblast activity and extracellular matrix (ECM) regeneration. In this project, EVs isolated from Lactobacillus paracasei CASEI 431 will be evaluated for their ability to promote fibroblast migration and proliferation, with the goal of enhancing collagen synthesis and ECM restoration. EVs will be harvested via ultracentrifugation following bacterial culture in MRS medium. Morphological characteristics, size distribution, and zeta potential will be analyzed using SEM, DLS, and electrophoretic light scattering, respectively. Antibacterial activity, cytotoxicity, and tissue differentiation potential of the EVs will be assessed on fibroblast cultures. Markers indicative of fibroblast proliferation and migrationnamely MMP‑2 activity, FGF2, and BCL2 expressionwill be quantified via real-time PCR.A nanocomposite hydrogel scaffold containing TiO₂ and graphene quantum dots (GQDs) will be fabricated, with its morphology and mechanical properties (via SEM imaging, FTIR spectroscopy, water contact angle measurements, and tensile testing) thoroughly characterized. In vitro scratch assays will model in vivo wound healing dynamics. Additionally, the biocompatibility and immunomodulatory effects of probiotic EVs on regulatory T cell migration and tissue regeneration will be evaluated using spectral flow cytometry and histological staining in a 3D human skin model.

Keywords: skin tissue engineering, extracellular vesicles, probiotic bacteria, 3D ex vivo tissue model

Procedia PDF Downloads 14

Authors: Eulina Fernandes Damião, Rejane Dias Pereira Mota, Diego Palmiro Ramirez Ascheri, José Luis Ramírez Ascheri

Abstract:

Pineapple residual biomass, rich in cellulose, is often discarded after harvest, underutilizing a resource with potential for high-value applications. However, during lignin extraction, its recondensation compromises cellulose removal efficiency. This study aimed to optimize alkaline delignification conditions in pineapple crown leaves using a bioreactor, evaluating the Kappa Number (Kp) and FTIR spectrophotometry. Different NaOH concentrations (1%, 2%, and 3%) and extraction times (1.5, 2.0, and 2.5 h) were tested with statistical analysis (ANOVA, mean test, and PCA; p-value ≤ 0.5). Treatment with 3% NaOH for 2.5 h promoted the highest lignin removal (84.3%), resulting in cellulosic pulp with Kp = 8.1, but caused greater lignin recondensation and cellulose loss. In contrast, 2% NaOH for 1.5 h removed 83.9% lignin, producing cellulosic pulp with Kp = 8.3, lower residual lignin content, and higher cellulose preservation. It is concluded that the latter condition balances delignification efficiency and cellulose quality maintenance, being the most suitable for sustainable applications.

Keywords: Ananas comosus, sustainability, cellulose, by-product utilization, instrumental analysis

Procedia PDF Downloads 11

Authors: Liu Yang

Abstract:

The biosynthesis of shikonins, natural products with significant medicinal value in Boraginaceae plants, could be dramatically triggered by the two-stage culture system (TSCS). Nevertheless, how TSCS significantly promotes shikonin biosynthesis and its underlying molecular mechanisms remain unknown. Here, it demonstrated that endogenous jasmonate (JA) is the key regulator induced by the TSCS to mediate shikonins accumulation. When callus cells were transferred from the B5 growth medium (Stage 1) into M9 production medium (Stage 2) for shikonin formation, endogenous JA was dramatically induced to a higher level, and this induction was conferred by the two significantly increased key enzymatic activities, lipoxygenase (LOX) and Allene oxide synthase (AOS). The deduction of endogenous JA biosynthesis by the specific inhibitor ibuprofen (IBU) significantly decreased shikonins content. Moreover, it identified two crucial bHLH transcription factors, LeMYC2a and LeMYC2b, exhibiting tissue- and condition-specific expression in shikonins-producing roots, in culturing in M9 medium and after MeJA treatment. Transgenic studies showed that overexpressing LeMYC2a or LeMYC2b significantly increased shikonins content, accompanied by a marked upregulation of multiple key shikonins biosynthetic enzyme coding genes. Weighted gene co-expression network analysis (WGCNA) predicted strong co-expression relationships between LeMYC2a/LeMYC2b and key enzyme coding genes. Yeast one-hybrid and LUC luminescence detection assay suggested LeHMGR1 and LePGT2 as common target genes of LeMYC2a/LeMYC2b, while LeMYC2b was also shown to bind to the G-box-like element in the LePGT1 promoter. Furthermore, the yeast two-hybrid assays (Y2H) and bimolecular fluorescence complementation (BiFC) analysis further revealed the protein-protein interactions between LeMYC2a/LeMYC2b and multiple JAZs. Our findings demonstrate that the endogenous JA-mediated LeMYC2a/LeMYC2b-JAZ module of the TSCS positively regulates shikonins biosynthesis by enhancing the expression of multiple biosynthetic enzymes. This study enriches the regulatory network of shikonins biosynthesis and provides valuable genetic targets for metabolic engineering to improve shikonins production.

Keywords: LeMYC2a/LeMYC2b, shikonins, jasmonate (JA), two-stage culture system (TSCS), transcriptional regulation

Procedia PDF Downloads 10

Authors: Esmaeell Qashamzadeh, Mohammade Dakhili Ranjjo

Abstract:

The gut microbiota plays a critical role in modulating antibiotic resistance (AR), serving as a reservoir for resistance genes. This study explores the mechanisms of AR gene transfer within gut microbiomes and evaluates potential therapeutic interventions, including probiotics, phage therapy, and fecal microbiota transplantation (FMT). Using metagenomic sequencing and in vitro models, we identified key AR genes (blaTEM, mcr-1, ermB) in gut bacteria and assessed their horizontal transfer rates. Our findings highlight the effectiveness of FMT in restoring microbial diversity and reducing AR gene abundance. These insights underscore the need for novel strategies to combat AR while preserving gut microbiota integrity.

Keywords: gut microbiota, antibiotic resistance, horizontal gene transfer, probiotics

Procedia PDF Downloads 12

Authors: Mahboobeh Talebi Mehrdar

Abstract:

Antimicrobial peptides (AMPs) serve as crucial components of plant defense against a broad range of pathogens. Among them, the Snakin family represents a prominent group of cysteine-rich AMPs with confirmed antimicrobial properties. In this study, we aimed to identify members of the Snakin family in Crocus sativus (saffron), a medicinal plant previously shown to possess antimicrobial potential. A comprehensive bioinformatics pipeline was employed to facilitate primer design for subsequent validation. Initially, all known Snakin protein sequences from various plant species were retrieved from the NCBI database. A conserved consensus sequence was generated through multiple sequence alignment. This consensus was then used as a query in a tBLASTn search against the Crocus sativus transcriptome EST database at NCBI, using an E-value threshold of 0.001. The resulting eight matched sequences were assembled using the PRABI-Doua tool, yielding two contigs of 139 and 107 bp. These contigs were further analyzed using the NCBI CDD and ORF Finder tools to predict open reading frames (ORFs) encoding putative Snakin peptides. Based on these sequences, five specific primers were designed for downstream molecular applications. These primers, along with next-generation sequencing (NGS), could enable full identification and characterization of the Snakin gene family in C. sativus. Given their strong antimicrobial potential, these peptides could be harnessed as novel agents against human, animal, and plant pathogens.

Keywords: crocus sativus, snakin peptides, antimicrobial peptides, EST analysis, bioinformatics, primer design

Procedia PDF Downloads 17

Authors: Caliph Kirui, Patrice Mawa, Dorcas Keya, Agnes Kiragga, Richard Sanya, Caroline Karugu, Gershim Asiki

Abstract:

Background: Biobanks serve as critical links between clinical care, human biology, and biodiversity research. In many low- and middle-income countries (LMICs), the potential to harness patient leftover samples from routine healthcare to establish biobanks largely remains under-explored. These samples offer a valuable opportunity to align biodiversity and human health research. This is especially important in disease high-burden regions like Sub-Saharan Africa. Our study assessed the feasibility, availability, and readiness of health systems in Kenya and Uganda to support biobanking of patient leftover samples. Objectives: We aimed to (i) asses the current practices in handling patient leftover samples and stakeholder attitudes towards biobanking, (ii) evaluate the availability and readiness of human resources, laboratory infrastructure, governance and digital systems for biobanking, and (iii) assess the current regulatory environment on biobanking. Methods: A cross-sectional mixed methods study design was adopted. Quantitative data were collected from 100 health facilities in Uganda and 50 in Kenya through health facility surveys and service availability assessments. Additionally, 1000 patients were also interviewed to capture individual patient perspectives. Qualitative data were collected through key informant interviews with healthcare workers, laboratory managers, and administrators, complemented by regulatory stakeholder engagements. Thematic analysis was applied to qualitative data to identify knowledge gaps, readiness barriers, and perceived benefits of biobanking. Results: Quantitative assessments indicated foundational readiness for biobanking, particularly in laboratory infrastructure, sample handling capacity, and institutional ethical oversight. However, it also became evident from the results that critical gaps persisted in areas such as cold chain capacity, digital health systems for linking samples to patient records, and standard operating procedures (SOPs). Qualitative study findings also revealed that there was moderate awareness of biobanking across facilities, with a deeper and better understanding in higher-tier and research-affiliated facilities. Stakeholders expressed broad support for biobanking, citing its potential to improve medical research and even disease surveillance. However, some misconceptions were also noted where some equated biobanking with routine storage of patients’ samples. Many were also unclear about long-term storage, consent processes, and data governance procedures. The results also showed limited familiarity with accreditation and regulatory frameworks for biobanking. Conclusion: There is substantial potential to establish biobanks from patient leftover samples in Kenya and Uganda, offering an innovative convergence of healthcare delivery and biodiversity-focused biorepositories. While existing laboratory and ethical systems provide a strong starting point for biobanking, targeted and sustainable investments in cold storage, digital infrastructure, SOPs, and capacity building are essential for sustaining biobanks. Additionally, engagement with regulatory bodies is crucial for policy adaptation to ensure sustainable implementation. A phased approach, starting with pilot sites of implementation, will be key to building context-appropriate biobank networks in the region.

Keywords: biobanking, leftover clinical samples, health systems, infrastructure, biodiversity, ethics, governance, Kenya, Uganda, stakeholder readiness

Procedia PDF Downloads 21

Authors: Amar Riba

Abstract:

In the current paper, a multi-mycotoxin analysis of twenty-two mycotoxins in 202 durum wheat samples collected in Algeria from 2019 to 2021 was performed by UHPLCMS/MS. Enniatins were present in 2 out of 45 wheat samples in the 2019 harvest. Whereas, in the harvest of 2020, 37.6% of wheat samples were found contaminated by ochratoxin A and/or beauvericin, deoxynivalenol(1076 µg/kg), fumonisin B1, enniatins and zearalenone (most prevalent in 2020 and 2021 harvest). Mycotoxin contamination was increased from 37.6% in 2020 to 55.2% in 2021 harvests. The most frequently observed mycotoxin co-occurrence was the combination of enniatin A1, enniatin B and enniatin B1 (0.5- 126 µg/kg) and DON (1307 µg/kg). Finally, AFB1 (0.4-2.6 µg/kg) was detected in only one sample collected from the continental region. These results pointed to the necessity of frequent and rigorous wheat quality controls in order to better evaluate the risk regarding the Algerian population.

Keywords: mycotoxin;, wheat;, climatic change, co-occurrence

Procedia PDF Downloads 21

Authors: Farhad Alipour

Abstract:

Diabetes mellitus (DM) is a long-term, non-communicable disease that represents a significant health threat and affects people worldwide. The use of eco-friendly, cost-effective, and green-synthesized nanoparticles as a therapeutic strategy for managing DM offers a promising solution. In this study, silver nanoparticles (SS-AgNPs) were biosynthesized using a green synthesis method with Scrophularia striata seed extract to evaluate their anti-diabetic potential. The synthesized nanoparticles were characterized using various techniques, including UV-visible spectroscopy, Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), dynamic light scattering (DLS), and X-ray diffraction (XRD). The anti-diabetic potential of the biosynthesized SS-AgNPs and crude Scrophularia striata extracts was assessed using glucose adsorption assays, glucose uptake by yeast cells, and α-amylase inhibition assays. SS-AgNPs exhibited the highest glucose uptake by yeast cells at 100 µg/mL (63 ± 2.33%), surpassing the crude extract (52 ± 0.5%). In the glucose adsorption assay, SS-AgNPs demonstrated a maximum activity of 18.15 ± 0.19%, compared to 9.47 ± 0.57% for the crude extract at 370 mM. In the α-amylase inhibition assay, SS-AgNPs showed peak activity at 91.38 ± 0.96%, while the crude extract exhibited 79.85 ± 0.40% at 127 µg/mL. The crude extract exhibited significant dose-dependent anti-diabetic activity. Additionally, the anti-diabetic effects were evaluated in streptozotocin-induced diabetic mice treated with SS-AgNPs (15-53 mg/kg body weight) for 30 days. The results indicated a substantial reduction in blood glucose levels, along with evidence of pancreatic and liver cell regeneration, highlighting the strong anti-diabetic potential of SS-AgNPs.

Keywords: silver nanoparticles, Scrophularia striata, green synthesis, anti-diabetic activity, glucose uptake, α-amylase inhibition, glucose adsorption, streptozotocin-induced diabetes, medicinal plants, nanomedicine

Procedia PDF Downloads 17

Authors: Khafallah Imene, Gacem Habiba

Abstract:

This study proposes a modified, scalable, and cost-effective approach for the extraction of bioactive lysozyme from camel milk whey, utilizing a combination of ammonium sulfate salting-out and isoelectric precipitation (phi technique). Fresh camel milk whey was first clarified by centrifugation and subjected to fractional precipitation using ammonium sulfate at 60% saturation to concentrate target proteins. The resulting pellet was redissolved and dialyzed, followed by stepwise acidification to pH 4.5 to selectively precipitate non-lysozyme proteins, taking advantage of lysozyme’s high isoelectric point (pI ≈ 10.7), allowing it to remain in solution. This two-step method preserved lysozyme’s antimicrobial activity and proved effective for large-scale recovery, yielding approximately 3 grams of partially purified, active lysozyme from 10 liters of acidified camel whey. This approach offers a sustainable and low-cost alternative to chromatography-based methods, suitable for application in regions with abundant camel milk resources. Its simplicity, efficiency, and ability to retain bioactivity make it a promising technique for food, pharmaceutical, and nutraceutical applications.

Keywords: lysozyme, camel whey, bioactive proteins, protein extraction, pi precipitation, salting-out

Procedia PDF Downloads 16

Authors: Kafayat Abolanle Ajibola, Abel Olajide Olorunnisola, O. O. Adefisan

Abstract:

A brake pad is a multifunctional material that reduces or halts vehicular motion. It comprises a mixture of many materials with different properties, which are implemented to perform the desired functions after every brake application. In addition, brake pads are an essential automobile material that ensures reliability and smooth and responsive auto-braking operation. The material selections are usually prioritized to implement and maintain reliable friction, strength, wear resistance, stable shelf life, and eco-friendliness throughout usage. This also ensures the exhibition of a relatively good braking characteristic and minimal generation of nonhazardous wastes. Thus, it is necessary to investigate the chemical composition of brake pads, especially the functional groups that are combusted during the braking operation. Samples of composite brake pads were fabricated from Tectona grandis sawdust generated from the Sango Isopako sawmill within the Ibadan metropolis, and the functional groups of the compositions were investigated using Fourier Transform Infrared Spectroscopy (FTIR). The results revealed that the functional groups were mostly populated by the alkyl halide, alkane, alkene, amine, and ester. They were sparely present as indicated by the high percentages of the infrared transmittance, which ranged between 48.75 – 74.44%, and the presence of anhydride, aldehyde, and carbonyl must have enhanced most of the properties, especially the ash content of the composite brake pad, in comparison with those of Gmelina arborea and Terminalia superba.

Keywords: tectona grandis, chemical composition, functional groups, ash ontent

Procedia PDF Downloads 21

Authors: Amritpreet Kaur Minhas, Rajesh Narayan, Pushplata Singh, Shovon Mandal, Palash Manna

Abstract:

There is a large number of biostimulants drawn from plants both terrestrial and from the Ocean. Macroalgae are also one of them including seaweed. On the contrary, microalgae are mostly used for food supplements and nutraceutical applications. Microalgae extract is a biostimulant especially formulated to improve plant and soil health. When applied at the development stage of plants, algae extract accelerates vegetative plant growth, thus improving the crop yield. TERI has a unique state-of-the-art facility for large-scale microalgae cultivation and germplasm collection with a wide diversity of strains from natural habitats for a variety of agricultural applications. The biostimulants produced in TERI are made with a number of consortia of indigenous algal species depending on the individual needs providing essential nutrients for crop development. TERI’s bio-stimulants provide an all-in-one liquid concentrate extracted from consortia of microalgal species. It contains macronutrients that deliver all the necessary macronutrients with high amounts of nitrogen, phosphorus, and potassium (NPK) which greatly boost plant growth and micronutrients including iron, molybdenum, calcium, and magnesium, high carbon and proline content, which demonstrates its higher efficiency in plant growth and crop yield in wheat after foliar application. The extracts also contain proteins, amino acids, polyunsaturated fatty acids (PUFAs), pigments, and minerals which are used as nutrient sources for various crop applications and protect plants against abiotic stress. The objective of this study was to evaluate the effect of algae extract as a foliar spray on wheat yield. Field trials were conducted in randomized blocks with 3 replications per treatment. Recommended doses of fertilizer were used as absolute controls. Each treatment was evaluated and harvested at the end of the season. Results showed a significant effect on the yield contributing characters, such as overall yield, no. of tiller, soil and plant development (SPAD), and thousand-grain weight.

Keywords: microalgae, wheat, biostimulant, foliar

Procedia PDF Downloads 32

Authors: Yuna Yun, Chanho Kim, Ki Jung Kim, Sung Hwan Chang, Seoyoung Kim

Abstract:

The study investigates the impact of F. nucleatum growth on the production of volatile sulfur compounds (VSCs), specifically CH₃SH and H₂S, and evaluates the effectiveness of antimicrobial agents in reducing these compounds. Our findings indicate that CH₃SH concentration is closely related to bacterial growth, whereas H₂S concentration is not. VSC levels after 18 hours of incubation are comparable to those after 24 hours, while VSCs are barely detected with less than 6 hours of incubation. Consequently, the incubation time for evaluating the deodorizing effect of antimicrobial materials was set to at least 18 hours. An in-vitro test method was established, involving the incubation of bacteria in an anaerobic chamber and sampling the gas phase in a sealed cornical tube for GC-MS analysis. This method is expected to significantly reduce costs and time compared to clinical evaluations by dentists. Furthermore, the study examines the effects of Succinic acid and Nisin on halitosis-causing bacteria. When cultured in a medium with these agents at concentrations above MIC, bacterial growth was inhibited, resulting in reduced CH₃SH production. This suggests the potential for developing effective toothpaste formulations for halitosis by incorporating Succinic acid and Nisin at concentrations above MIC. Additionally, the study explores the production of (CH₃)₂S, which is known to be absorbed during digestion and exhaled through the lungs. Preliminary tests using garlic solution confirmed the possibility of inducing (CH₃)₂S formation in vitro. Future work will examine the effects of Succinic acid and Nisin on (CH₃)₂S removal and evaluate essential oils for their ability to inhibit CH₃SH and H₂S, aiming to discover ingredients that can effectively remove all sulfur compounds.

Keywords: Fusobacterium nucleatum, volatile sulfur compounds, succinic acid, nisin

Procedia PDF Downloads 19

Authors: Iram Jahan, Rajiv Dutta

Abstract:

Stevia rebaudiana is a valuable crop for its low-calorie natural sweetner properties, making it an ideal alternative for patients with dietary restrictions such as those managing diabetes or obesity. Stevia also show antioxidant properties, which can help protect against oxidative stress and inflammation. Overall, unique properties of this plant make it an attractive ingredient for use in various pharmaceutical applications, but its cultivation is hindered by sensitivity to salt and drought stress. This study was conducted to explore the potential of somaclonal variation to induce salt and drought tolerance in stevia. Using explants, Established an efficient in vitro regeneration ambience and subsequently induced somaclonal variation through callus-mediated regeneration.These findings may demonstrate the potential of somaclonal variation through tissue culture as a valuable tool for improving abiotic stress tolerance in Stevia, paving the way for the development of more resilient cultivars for sustainable crop production in high salt and drought hit areas.

Keywords: somaclonal variation, salt tolerance, drought tolerance, abiotic stress

Procedia PDF Downloads 24

Authors: Ahmed Adjebli, Abdelaziz Messis, Tighilet Karim

Abstract:

Colorectal cancer is one of the most common types of cancer worldwide, and its incidence has been increasing in recent years. Numerous studies have shown that gut microbiomes are a major environmental factor that can influence the risk of developing colorectal cancer. Data and fecal samples from colorectal cancer patients were collected at the Amizour Public Hospital's oncology department (Bejaia, Algeria). Microbiological and molecular analyses were conducted at the Biological Engineering of Cancers laboratory at the Faculty of Medicine of the University of Bejaia. All the data showed that patients aged between 50 and 70 years were the most affected by colorectal cancer, while the age categories of [30-40] and [40-50] were the least affected. Males were more likely to be at risk of contracting colorectal cancer than females. The most common types of colorectal cancer among the studied population were sigmoid cancer, rectal cancer, transverse colon cancer, and ascending colon cancer. The hereditary factor was found to be more dominant than other risk factors. Bacterial identification revealed the presence of certain pathogenic and opportunistic bacterial genera, such as E. coli, K. pneumoniae, Shigella sp, and Streptococcus group D. These results led us to conclude that dysbiosis of the intestinal microbiome is strongly present in colorectal cancer patients at the EPH of Amizour.

Keywords: microbiome, Colorectal cancer, risk factors, Bacterial Identification

Procedia PDF Downloads 24

Authors: Ene Aloysius Chinedu, Ezeokeke Emmanuel Emeka, Igwe Chidi Uzoma, Onuoha Chinyereantimalarial, S. Megaphylla, A. Conzoides, C. Odorata

Abstract:

This study investigated the antimalarial and antioxidant properties of leaf extracts of Setaria megaphylla, Ageratum conyzoides Linn, and Chromolaena odorata Linn, plants used in folkloric treatment of malaria. The plants were assessed for phenolic profile, antioxidant capacity and radical scavenging activities using standard methods. Single, binary and ternary combinations of the processed leaves were subjected to hot aqueous extraction and evaluated for in vivo antiplasmodial efficacy against Plasmodium berghei NK 65 using Swiss albino mice. The plants’ total phenolic profile varied as S. megaphylla (Sm; 118.06 μg/ml) > C. odorata (Co; 116.58 μg/ml) > A. conyzoides (Ac; 73.01 μg/ml), with catechin, dihydrocytisine and tannin being the most abundant phenolics. Total antioxidant capacities (TAC) and reducing power potentials (RPP) of the plants increased with an increase in extract concentrations with Sm showing the highest TAC (1.49 ± 0.02 mgAAE/g) and RPP (0.47 ± 0.01 mgAAE/g) values. A similar trend was observed for the hydroxyl, nitric oxide and DPPH radicals scavenging potentials, showing dose-dependent increases in scavenging potentials but with no observed significant (p<0.05) differences in activities at the highest extract dose of 400 μg/ml. The in vivo antimalarial study demonstrated that the combination of A. conyzoides and S. megaphylla was the most effective, significantly reducing parasitemia without causing mortality in the mice. This research highlights the potential of S. megaphylla, A. conyzoides, and C. odorata, especially the combination of their extracts as a source of effective anti-malarial agents and further confirms the folkloric use of hot aqueous extracts of the plants in malaria treatment.

Keywords: antimalarial, s. megaphylla, a. conzoides, c. odorata

Procedia PDF Downloads 22

Authors: Jui-Ying Lee, Chi Yang, Yun-Chien Lo, Chun-Lin Lee

Abstract:

Monascus pilosus is a filamentous fungus that produces red, orange, and yellow pigments when grown on cereal-based substrates. While red pigments are commonly used as natural food colorants, yellow pigments have been shown to offer cardiovascular health benefits. This study aimed to evaluate the effects of different nutrient sources and light conditions on Monascus pilosus growth and yellow pigment production in red mold rice. Four nutrient sources—corn starch, Japonica rice, maltodextrin, and high-gluten wheat flour—were tested under light and dark conditions. Daily observations were conducted to monitor colony growth and pigment production. Results showed that nutrient composition significantly influenced Monascus pilosus growth. Colonies cultivated in the dark on Japonica rice and high-gluten wheat flour exhibited the largest growth areas (45.8 cm² and 49.24 cm², respectively), likely due to higher protein and amino acid content. In contrast, corn starch and maltodextrin, composed mainly of carbohydrates, did not support significant growth. Pigment production was also affected by substrate selection. Japonica rice promoted higher yellow pigment levels (colorimetric value = 0.235) with less red pigment (366), whereas high-gluten wheat flour favored red pigment production (0.691) with minimal yellow pigment (0.001). Light exposure led to significant pigment degradation and colony whitening, likely due to photooxidation. Dark conditions were optimal for preserving pigment integrity. These findings suggest that Japonica rice under dark conditions enhances Monascus pilosus growth and yellow pigment production in red mold rice, providing insights for functional food applications.

Keywords: monascus pilosus, fermentation, nutrient sources, light conditions

Procedia PDF Downloads 24

Authors: Oluwafemi Flora Tobolayefa, Ikeobi Chinenye Ifeoluwa, Olasehinde Jesutomi Victoria

Abstract:

This study analyzed mycotoxigenic fungi, total aflatoxins, and fumonisins in biscuit and Kokoro samples. Twenty-eight commonly consumed biscuits and kokoro from four production sites were collected and subjected to fungal evaluation, aflatoxin, and fumonisin determinations. Fungi counts were done on potato dextrose agar. Thin Layer Chromatography attached to a scanning densitometer – Scanner 4, determined Aflatoxin concentrations of the biscuits and Kokoro while Neogen Reveal Q+ determined fumonisins. The moisture content of the biscuits and kokoro was determined using a hot air oven. Moisture contents ranged between 5.75±0.05 % to 13.24±0.04 %. Fungal isolates were Fusarium oxysporum (21.9 %), Geotrichum sp. (12.2 %), Aspergillus flavus (9.8 %), Aspergillus nidulans (9.8 %), Aspergillus fumigatus (9.8 %), Fusarium solani (9.7 %), Aspergillus niger (7.3 %), Aspergillus parasiticus (4.9 %), Alternaria sp. (4.9 %), Mucor sp. (4.9 %), Aspergillus terreus (2.4 %), Sporothrix schenckii (2.4 %). Aflatoxins were detected in 14.3 % (4/28) of the biscuits. Total Aflatoxin concentrations in biscuits and Kokoro ranged from 8.98 to 16.65µg/kg and 16.0 – 18.0 µg/kg respectively. Alatoxins were detected in Kokoro at the production sites, and the range was 16.0 – 18.0 µg/kg, while Fumonisins range was 120.0 -1000.0 µg/kg. The high percentage incidence of Fusarium oxysporium attests to the high levels of fumonisins. Values of both fumonisins and aflatoxins detected raise public health concerns.

Keywords: mycotoxigenic fungi, mycotoxins, biscuits, kokoro, ready-to-eat, public health

Procedia PDF Downloads 23

Authors: Hasnia Ziar, Alhousseini Issaka Maman Bachir, Saleh Mahmoud Warak Ibrahim, Lamia Amtout, Kawtar Keddar, Noussaiba Belmadani, Philippe Gérard.

Abstract:

The purpose of this study was to investigate the impact of a B-vitamins producing strain, Lacticaseibacillus rhamnosus SL42, on ASD Wistar rat neurobehavior at juvenile age. A rat autistic-like model was produced by injecting sodium propionic acid (PPA) intraperitoneally to 3-week-old rats from days -4 to days 0. The rats were subsequently administered the SL42 probiotic strain (109 CFU/mL) daily from day -4 to day 14 and compared to control and PPA-induced animals that did not receive therapy. Behavioral tests (grip test, social behavior, open field, and Y-maze) were evaluated on days 7 and/or 14. At the end of the experiment, brain tissues were examined for antioxidant biomarkers, pro-inflammatory cytokines, and histological examination. The quantities of certain phyla in stool samples were determined using RTq-PCR. Rat weights did not differ significantly across groups. The PPA-induced group demonstrated poorer forelimb grip strength (0.94 ± 0.42 kg) compared to the PPA+SL42 and control groups. In our study, the PPA-induced group had a lower social preference index (1.4 ± 1.40) compared to the PPA + SL42 (2.15 ± 6.02, *P ≤ 0.05) or control groups (5.00 ± 10.14, **P ≤ 0.01). The open field test results revealed that strain SL42 could alleviate anxiety, an autism-related symptom. Probiotic therapy significantly decreased PPA-induced spontaneous alternation and arm remembering deficiencies in the Y-maze test after 14 days (**P < 0.01) compared to 7 days. SL42 corrects the increased neuron count in PPA-induced rats' prefrontal cortex and increases cortical-related antioxidant enzyme activity. Following PPA consumption, the probiotic strain SL42 preserved the Lactobacillus /Prevotella ratio to 1 in the gut microbiota. These data suggest that administering probiotic strain SL42 could be a promising therapeutic method for ASD-like symptoms in toddlers.

Keywords: probiotic, Wistar rat, propionic acid, neurobehavioral, autism, microbiome

Procedia PDF Downloads 30

Authors: Amankeldi Sadanov, Gul Baimakhanova, Irina Ratnikova, Baiken Baimakhanova, Saltanat Orazymbet

Abstract:

The aim of the study is to create a new domestic biological preparation based on active propionic acid and cellulolytic bacteria for agriculture and to organize its production. The object of the study was a probiotic feed additive "Bentobak", derived from cellulolytic (Cellulomonas flavigene - 22TN) and propionic acid bacteria (Propionibacterium shermanii C-8) adsorbed on bentonite, used in the fattening of farm animals and birds. The strains were obtained from the GI tract of healthy animals. Bentobak biopreparation is grown in a Bioflo-320 fermenter. The fermenter with sterile nutrient medium cooled to the temperature of (32±1)°C is sterilely connected to the inoculator with the inoculum. Seeding is performed by transferring the seed culture from the inoculator in the amount of 5-6% of the volume of nutrient medium in the fermenter by creating excess pressure (0.7±0.1) kg/cm2 in the inoculator. pH of the culture liquid is brought to 5.5-5.0, add 600 g of calcium chloride (per 100 liters) and 20kg of 20% bentonite solution. Dissolve bentonite with hot water (80-90 ° C) 2 hours before use. The mixture is stirred and left alone for 3 hours. After precipitation, the supernatant is decanted into a drain and the sludge is dried. Freeze-drying of the precipitate is carried out using 7% sucrose, 1.5% gelatin and 7% skim milk powder as protectants. After adding the protective components, the culture is poured into metal trays and dried in a Liobeta-35 freeze dryer under the following regime: freezing of the product at -300 C for 10 hours, then at -600 - 5 hours; drying at + 260 C - 6 hours, at +200 C - 18 hours, at + 300 C - 2 hours. The total duration of drying is 26 hours. The drug is obtained in the form of powder. After establishing the content of viable cellulolytic and propionic acid bacteria in 1 g of the dry preparation, it is standardized with bentonite to a bacterial titer of at least 10.0 million CFU/g. Antimicrobial activity against pathogens of intestinal infections including salmonellae was revealed. When using the feed additive increases the breakdown of fiber, so in the control this indicator was 46.4%, and in the experiment - 54.0%. It is recommended to use from the beginning to the end of fattening, addiction to the preparation was not observed. Any veterinary drug (antibiotics, antiparasitic drugs, etc.) can be used together, but premixes with vitamins and microelements should be selected to avoid their overdose, as the feed additive already contains micro-, macroelements and vitamins. The preparation "Bentobak" has therapeutic properties, experimentally confirmed the average daily gain of animals averaged 1700 g compared to the control. The preparation "Bentobak" at the method of feeding also contributes to the improvement of the general physiological state of animals, including nitrogen metabolism in the body, the degree of utilization of nutrients and their absorption increased. Introduction of the feed additive "Bentobak" into the diet of animals accelerate the process of live weight gain.

Keywords: probiotic bacteria, adsorbents, feed additive, productivity

Procedia PDF Downloads 28

Authors: Moulay Driss Mellaoui, Hanane Zejli, Al Mokhtar Lamsabhi

Abstract:

This study explores the anticancer potential of six isoxazolidine and isoxazoline derivatives through an integrated approach combining density functional theory (DFT), AdmetSAR pharmacokinetic predictions, and advanced docking and molecular dynamics simulations. DFT calculations, performed with the B3LYP-D3BJ functional and the 6-311++G(d,p) basis set, were used to optimize molecular structures, identify reactive sites via molecular electrostatic potential (MEP) maps, and analyze frontier molecular orbitals (FMOs) and density of states (DOS), highlighting enhanced electronic stability for compounds 1b, 2b and 3b. Pharmacokinetic properties were assessed via AdmetSAR, revealing promising human intestinal absorption rates, particularly for compound 3b, which also stands out for better predicted oral efficacy. Molecular docking simulations, targeting the EGFR receptor (PDB: 1JU6), demonstrated high binding affinity of the compounds to the target protein, with the most favorable binding energy for compound 3b (-8.50 kcal/mol). Molecular dynamics simulations over 100 nanoseconds confirmed the stability of the complex formed by compound 3b and the receptor, as evidenced by the stable values of RMSD, RMSF, Rg, and SASA. These results underline the potential of compound 3b as a leading candidate for the development of anti-cancer treatments, while providing a solid basis for future drug design and optimization studies.

Keywords: isoxazolines, DFT, molecular docking, molecular dynamic, ADMET, drugs

Procedia PDF Downloads 31

Authors: Elaissi Ameur, Moumni Sarra

Abstract:

The chemical composition and biological activities of Eucalyptus essential oils (EOs) have been documented in numerous studies against multiple infectious diseases. Eight Eucalyptus oils and 15 combinations (9 binary and 6 ternary) of these EOs, extracted from dried leaves of Tunisian Eucalyptus species, were tested against six ear infection bacterial strains: Haemophilus influenzae, Haemophilus parainfluenzae, Klebsiella pneumoniae, Pseudomonas aeruginosa (ATTC 9027), Staphylococcus aureus (ATCC 6538), and Escherichia coli (ATCC 8739). The EOs were analyzed using GC/FID and GC/MS. The major compounds, as well as all values obtained from the bacterial growth inhibition assay, were utilized for statistical analysis. Significant variation in antibacterial activity was observed according to Eucalyptus species, bacterial strains, and methods. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) based on inhibition zone diameters identified two major groups and ten subgroups of antibacterial activity. The highest activity was found in mixtures from E. panctata, E. accedens, and E. cladocalyx (paac), as well as E. panctata, E. wandoo, E. accedens, and E. cladocalyx (pwac) using the disc diffusion method. Significant activity was also noted with EOs from E. panctata and E. wandoo (pw), and E. panctata and E. accedens (pa) using the broth microdilution method.

Keywords: eucalyptus essential oils, EOs blends, antibacterial activity, ear infection, principal component analysis (PCA), hierarchical cluster analysis (HCA)

Procedia PDF Downloads 42

Authors: Ma. Rachel V. Parcon, Chelsea Kate F. Jose, Geaver Nicolei G. Cortez, Jan Anthony N. Ysulat, Mark Nicholas L. Yow, Gladys Ann B. Bautista, John Cyrus O. Alfaro, Aileen C. Bidol

Abstract:

The Philippines is one of the leading pineapple producers in Southeast Asia. A massive amount of pineapple peels is being discarded from the pineapple food industry, which are considerably rich sources of bromelain, a protease enzyme known for its therapeutic applications in the pharmaceutical and cosmetic industry. Throughout the year, significant progress was made in the extraction, partial purification, and microencapsulation of bromelain from pineapple peels, leveraging its antioxidant, anti-inflammatory, and natural exfoliating properties for potential cosmetic applications. Bromelain specifically hydrolyses the peptide bonds of proteins in the stratum corneum, induces biological exfoliation and faster skin regeneration, and facilitates the penetration of active substances. In this study, bromelain from pineapple peels was extracted and purified through an aqueous two-phase system (ATPS) using 30% MgSO₄ and 5% PEG-4000. The process resulted in the separation of two distinct phases: a polymer-rich phase containing the bromelain enzyme and a salt-rich phase. The polymer-rich phase was retained and further processed. Notably, the ATPS method yielded over 100% enzyme recovery, validating its efficiency in purifying bromelain. Quantitative determination of protease activity, which reflects the exfoliating properties of bromelain, was conducted using the Murachi method and resulted in 3.78-3.85 U/mL. The purified enzyme was freeze-dried and pulverized to extend the shelf life and subsequently analyzed for enzymatic activity resulting in 3.08 U/g. The bromelain powder was applied to standardized cosmetics formulation. The amounts of bromelain included are 2% in body serum, 5% in clay scrub, and 5% in gel cleanser at various pH ranges from 5-7, which is conducive to the stability of bromelain. These developed formulations were further assessed for safety in terms of heavy metal analysis and microbiological profiling, where all parameters passed the ASEAN Guidelines on Limits of Contaminants for Cosmetics. Moreover, results of the Repeat Insult Patch Testing of the products among normal adult subjects show that the products may be considered generally low risk for hypersensitivity reactions. No irritant reactions were found; thus, the products are generally safe to use for normal skin.

Keywords: active ingredient, aqueous two-phase system, bromelain, cosmetics, pineapple peels

Procedia PDF Downloads 35