Gene expression data are usually known for having a large number of features. Usually, some of these features are irrelevant and redundant. However, in some cases, all features, despite being numerous, show high importance and contribute to the data analysis. In a similar fashion, gene expression data sometimes have limited instances with a high rate of imbalance among the classes. This can limit the exposure of a classification model to instances of different categories, thereby influencing the performance of the model. In this study, we proposed a cancer detection approach that utilized data preprocessing techniques such as oversampling, feature selection, and classification models. The study used SVMSMOTE for the oversampling of the six examined datasets. Further, we examined different techniques for feature selection using dimension reduction methods and classifier-based feature ranking and selection. We trained six machine learning algorithms, using repeated 5-fold cross-validatio... [more]

Mixotrophic microalgal cultivation can utilize CO2 and organic carbon sources. This study optimized the cultivation nitrogen source (peptone, urea, yeast extract, NH4Cl, (NH4)2SO4, NH4NO3, NaNO3 and KNO3), carbon combination (glucose, glycerol, sucrose), (NH4)2SO4 nitrogen source and pH (6−11) in a local microalgae species with three characteristics (high pH-resistant, high growth rate and high lipid content). Chlorella sp. G3H3-1-2 biomass production and lipid accumulation were estimated using the fatty acid methyl esters (FAMEs) concentration. The Chlorella sp. G3H3-1-2 FAME content was strongly influenced by the carbon, nitrogen sources and pH variations. The pH ranged from 6.0 to 8.0, which produced the highest specific growth rate of 1.22 day−1 for Chlorella sp. G3H3-1-2 while using glucose as the single carbon source. However, the highest total FAMEs content of 59% in the Chlorella sp. G3H3-1-2 biomass of 1.75 g/L was obtained while using the combination of 1 g-glucose/L as the c... [more]

The present study explored anti-tubercular pyrrole derivatives against cancer targets using different in silico and in vitro approaches. Initially, nineteen anti-tubercular pyrrolyl benzohydrazide derivatives were screened against a potent cancer target PLK1 using an AutoDock Vina approach. Out of the nineteen derivatives, the two most potent derivatives C8 [N′-(4-(1H-pyrrol-1-yl) benzoyl)-3-chlorobenzohydrazide] and C18 [N′-(4-(1H-pyrrol-1-yl) benzoyl)-4-nitrobenzohydrazide], were subjected to molecular simulation analysis for a 100 ns trajectory. Further, these two derivatives were tested against A549, MCF-7, and HepG2 cell lines using an MTT proliferation assay. Apoptotic cell cycle and DAPI assays were also performed for C8 on A549 cell lines. Molecular dynamic analysis revealed that the stability of the C8−PLK1 protein complex during the 100 ns trajectory run was better than that of the C18−PLK1 protein complex. In addition, C8 showed lower IC50 values against the tested cell line... [more]

Periodontal diseases are highly prevalent oral conditions associated with severe complications in the oral cavity. These inflammatory diseases are caused by the oral microbiome and are influenced by several factors, such as aging, tobacco usage, systemic illness and inadequate oral hygiene. Plant-derived phytochemicals are extensively utilized in managing various periodontal diseases due to the presence of antioxidant, anti-inflammatory and antibacterial activities. Plant materials have shifted attention from conventional medicine to indigenous medicine. Solanum xanthocarpum is a medicinal herb found in India. It exhibits various pharmacological properties essential for periodontal disease prevention and management. The current work analyzes various pharmacological properties of S. xanthocarpum aqueous extract. The S. xanthocarpum extracts’ antioxidant, anti-inflammatory and anti-microbial properties were ascertained by DPPH assay, HRBC membrane stabilization assay and disk diffusion a... [more]

Core−shell nanoparticles are functional materials with tailored properties, able to improve the requirements of various applications. Both core and shell components can be inorganic or organic, and there are numerous studies in this field regarding their synthesis methods, properties, and applications. This review aims to study core−shell nanostructures with Fe3O4 cores and different shell types, observing their antibacterial and anticancer properties. By the type of coating, Fe3O4 core−shell nanoparticles (NPs) are classified into four categories: metal-coated NPs, metal-organic framework (MOF) coated NPs, metal oxide coated NPs, and polymer-coated NPs. Each category is briefly presented, emphasizing anticancer or antibacterial properties and specific applications (cancer diagnosis or therapy, drug carrier). Moreover, synthesis methods and particle size for both core and shell nanostructures, as well as the magnetic properties of the final core−shell material, are summarized in this r... [more]

The world’s human population is increasing as is the demand for new sustainable sources of energy. Accordingly, microalgae-based carbohydrates for biofuel production are being considered as an alternative source of raw materials for producing biofuels. Microalgae grow in photobioreactors under constantly changing conditions. Models improve our understanding of microalgae growth. In this paper, a photoacclimated model for continuous microalgae cultures in photobioreactors was used to study the time-varying behavior and sensitivity of solutions under optimal productivity conditions. From the perspective of dynamic simulation in this work, light intensity was found to play an influential role in modifying metabolic pathways as a cell stressor. Enhancing carbohydrate productivity by combining nutritional deficiency and light intensity regulation modeling strategies could be helpful to optimize the process for the highest yield in large-scale cultivation systems. Under the proposed simulati... [more]

α-Tocopheryl succinate (α-TS) and α-tocopheryloxyacetic acid (α-TEA) are potent inducers of apoptosis in cancer cells and efficient suppressors of tumors in experimental model cancer cell lines. They exhibit selective cytotoxicity against tumor cells and very limited or no toxicity toward nonmalignant cells. In the present work, a series of new α-tocopherol derivatives were synthesized as analogs of α-TS and α-TEA. The cytotoxic activity of obtained compounds was tested using three human cancer cell lines, including chronic lymphoblastic leukemia (CEM), breast adenocarcinoma (MCF7), cervical adenocarcinoma (HeLa), and normal human fibroblasts (BJ). The introduction of an alkyl substituent into the ether-linked acetic acid moiety in α-TEA increased anticancer activity. α-Tocopheryloxy-2-methylpropanoic acid with two additional geminal methyl groups was more active against CEM cells compared to α-TEA and non-toxic to normal cells. In order to acquire a deeper understanding of the biologi... [more]

Azithromycin (AZ) is an azalide macrolide antibiotic that is frequently employed for treating bacterial skin infections. It suffers from limited oral bioavailability, which results from incomplete absorption or extensive first-pass metabolism. Therefore, preparing azithromycin formulations for topical administration is highly recommended to avoid first-pass metabolism and to boost the concentration of the drug on the skin. The objective of our investigation was to formulate and evaluate the efficacy of AZ-loaded nanoemulgel as an antimicrobial drug. The physical appearance, spreadability, viscosity, particle size, in vitro drug release, ex vivo permeation investigations, and antimicrobial efficiency of the prepared formulations were evaluated. The prepared formulation loaded with AZ exhibited good physical quality. AZ-loaded nanoemulgel had a greater ex vivo drug permeation across rabbit skin than other formulations (AZ-loaded gel and AZ-loaded emulgel), revealing improved drug permeat... [more]

It is essential to use highly antigenic epitope areas, since the development of peptide vaccines heavily relies on the precise design of epitope regions that can elicit a strong immune response. Choosing epitope regions experimentally for the production of the SARS-CoV-2 vaccine can be time-consuming, costly, and labor-intensive. Scientists have created in silico prediction techniques based on machine learning to find these regions, to cut down the number of candidate epitopes that might be tested in experiments, and, as a result, to lessen the time-consuming process of their mapping. However, the tools and approaches involved continue to have low accuracy. In this work, we propose a hybrid deep learning model based on a convolutional neural network (CNN) and long short-term memory (LSTM) for the classification of peptides into epitopes or non-epitopes. Numerous transfer learning strategies were utilized, and the fine-tuned method gave the best result, with an AUC of 0.979, an f1 score... [more]

Menaquinone-7 (MK-7) provides significant health gains due to its excellent pharmacokinetic properties. However, MK-7 occurs at low concentrations in mainstream foods, heightening the demand for nutritional supplements. MK-7 exists as geometric isomers, and only all-trans MK-7 is bioactive. Exposure to certain environments impacts the isomer profile. Knowledge of these factors and their influence on the isomer composition is important, as the efficacy of fermented MK-7 end products is solely determined by the all-trans isomer. This investigation aimed to evaluate the short- and long-term effect of atmospheric oxygen, common temperatures, and light on the isomer profile. From the short-term study, it was ascertained that MK-7 is moderately heat-stable but extremely light-sensitive. The stability of all-trans MK-7 was then examined during 8 weeks of storage at a low temperature with minimal oxygen exposure in the absence of light. Negligible change in the all-trans MK-7 concentration occ... [more]

Quinine hydrochloride (QHCl) has remained a very relevant antimalarial drug 400 years after its effectiveness was discovered. Unlike other antimalarials, the development of resistance to quinine has been slow. Hence, this drug is to date still used for the treatment of severe and cerebral malaria, for malaria treatment in all trimesters of pregnancy, and in combination with doxycycline against multidrug-resistant malaria parasites. The decline in its administration over the years is mainly associated with poor tolerability due to its gastrointestinal (GIT) side effects such as cinchonism, complex dosing regimen and bitter taste, all of which result in poor compliance. Hence, our research was aimed at redesigning quinine using nanotechnology and investigating an alternative route for its administration for the treatment of malaria. QHCl nanosuspension (QHCl-NS) for intranasal administration was prepared using lipid matrices made up of solidified reverse micellar solutions (SRMS) compris... [more]

Natural products have always played a vital role in the search for novel drugs, and their exploration continues to captivate researchers in the field of drug discovery and development [...]

Antibiotics are often prescribed to treat infections caused by group B Streptococcus; however, inappropriate use of antibiotics can develop resistance. Because of this, the research was carried out with the aim of evaluating the in vitro effect of the hydroalcoholic extract of Caesalpinia spinosa (Molina) Kuntze known as Taya or Tara on the viability of β-hemolytic streptococci; an experimental investigation of increasing stimulation was carried out. The hydroalcoholic extract of C. spinosa pods was worked in concentrations of 250, 500, 750, and 1000 mg/mL, which were placed on filter paper discs to perform the sensitivity test following the Kirby−Bauer method. The greatest inhibition of bacterial viability was observed in the penicillin control group (GPT-01) followed by the TCT-04 group (hydroalcoholic Tara extract 1000 mg/mL). In addition, it was found that these groups are statistically different from the rest (p < 0.05), while the lowest bacterial inhibition was obtained for th... [more]

Three green algae, collected from the Romanian Black Sea coast, are studied: Ulva lactuca, Enteromorpha intestinalis, and Cladophora vagabunda, which were collected from six different coastal areas. This paper aims to identify the bioactive compounds of these green algae and their beneficial properties, in order to use them as potential nutraceuticals using different analytical methods. Pharmacognostic, microbiological, and physico-chemical methods used for the analysis of algal materials revealed a rich and diverse array of biocompounds with nutritional value. In the case of green algae, a high percentage of sulphates, carbohydrates and dietary fibers were identified. Moisture, ash, total nitrogen, protein and lipid contents were determined. The contents of pigments, vitamins, and metals determined complement the nutritional qualities of the three seaweed species studied as future nutraceuticals. The content of flavonoid and phenolic compounds identified in the composition of seaweeds... [more]

In this study, an Fe3O4/Bi2MoO6/g-C3N4 magnetic composite photocatalyst was synthesized for the visible-light-driven photocatalytic degradation of sulfonamide antibiotics, specifically sulfamerazine (SM1). Characterization techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), photoluminescence spectroscopy (PL), UV-vis diffuse reflectance spectra (UV-vis), and the use of a vibrating sample magnetometer (VSM), were employed to analyze the fabricated samples. The composite exhibited efficient visible-light absorption and charge separation, with optimal photocatalytic performance achieved at a pH value of 9.0. The study reveals the importance of solution pH in the degradation process and the potential applicability of the composite for efficient magnetic separation and recycling in photocatalytic processes. The Fe3O4/Bi2MoO6/g-C3N4 magnetic composite photocatalyst demonstr... [more]

High-sensitivity biomedical sensors could make it possible to detect and classify chemical and biological species in a variety of applications, from disease diagnosis to medication discovery, thus, boosting the likelihood of life-saving intervention. Synthesized nanowires have already produced advancements in a variety of sectors, including biological sensors over the last decade. When compared to macro-sized materials, the nanowires’ large surface area-to-volume ratio increased sensitivity. Their applications for biomarker, viral, and DNA detection, as well as drug discovery, are also discussed. Self-powering, reusability, sensitivity in high ionic strength solvents, and long-term stability are all examples of recent developments. Shortly, the nanowire is likely to lead to major improvements in biomedical sensors. This review provides a full overview of the nanowire sensor’s working principle and production procedure. We have discussed how to produce nanowires that can be utilized as... [more]

The Mikania genus has been known to possess numerous pharmacological activities. In the present study, we aimed to evaluate the interaction of 26 selected constituents of Mikania species with (i) cyclooxygenase 2 (COX 2), (ii) human neutrophil elastase (HNE), (iii) lipoxygenase (LOX), matrix metalloproteinase ((iv) MMP 2 and (v) MMP 9), and (vi) microsomal prostaglandin E synthase 2 (mPGES 2) inhibitors using an in silico approach. The 26 selected constituents of Mikania species, namely mikamicranolide, kaurenoic acid, stigmasterol, grandifloric acid, kaurenol, spathulenol, caryophyllene oxide, syringaldehyde, dihydrocoumarin, o-coumaric acid, taraxerol, melilotoside, patuletin, methyl-3,5-di-O-caffeoyl quinate, 3,3′,5-trihydroxy-4′,6,7-trimethoxyflavone, psoralen, curcumene, herniarin, 2,6-dimethoxy quinone, bicyclogermacrene, α-bisabolol, γ-elemene, provincialin, dehydrocostus lactone, mikanin-3-O-sulfate, and nepetin, were assessed based on the docking action with COX 2, HNE, LOX, M... [more]

(1) Background: The neem tree, Azadirachta indica (A. Juss), is a well-known species used in traditional medicine for the treatment of skin conditions such as irritation, eczema, burns, and wounds. The objective of the current study was to investigate the physicochemical and wound-healing properties of A. indica fruits. (2) Methods: Gas chromatography coupled with mass spectrometry (GC-MS) was used to determine the content of fatty acids and phytosterols, and high-performance liquid chromatography (HPLC) was used to determine the tocopherol content. The wound-healing activity was observed on the backs of six adult male rabbits. (3) Results: The results showed that the plant contained fatty acids, as well as oleic (46.05%), palmitic (23.94%), linoleic (11.39%), and stearic (7.87%) acids. The phytosterols were three major compounds; in decreasing order of importance, they were β-sitosterol (97.26 mg/100 g), campesterol (18.94 mg/100 g), and stigmasterol (12.05 mg/100 g). There were also... [more]

The phycobilisomes (PBSs) of cyanobacteria and red algae are their primary light-harvesting antennas, which play key role in light harvesting and energy transportation to the photosynthetic reaction center with extraordinarily high efficiency. The mechanism of energy transfer in PBS should be investigated with a tight combination between biological structural information and an ultrafast time-resolved dynamic analysis. We recently demonstrated the study of energy transfer in PBSs from a thermophilic cyanobacterium, Thermosynechococcus vulcanus NIES 2134 (T. 2134), with the cryo-EM model resolved at a near-atomic resolution. The time-resolved fluorescence spectroscopy of the PBS with a sub-picosecond resolution was discovered at 77 K. Deconvolution of the fluorescence decay curve was then used to reveal the energy transfer channels and the associated transfer rates. Except for the fluorescence lifetimes of terminal emitters, four time components, i.e., 9 ps, 13 ps, 23 ps, and 55 ps, wer... [more]

Protein structure prediction is one of the important aspects while dealing with critical diseases. An early prediction of protein folding helps in clinical diagnosis. In recent years, applications of metaheuristic algorithms have been substantially increased due to the fact that this problem is computationally complex and time-consuming. Metaheuristics are proven to be an adequate tool for dealing with complex problems with higher computational efficiency than conventional tools. The work presented in this paper is the development and testing of the Ingenious Crow Search Algorithm (ICSA). First, the algorithm is tested on standard mathematical functions with known properties. Then, the application of newly developed ICSA is explored on protein structure prediction. The efficacy of this algorithm is tested on a bench of artificial proteins and real proteins of medium length. The comparative analysis of the optimization performance is carried out with some of the leading variants of the... [more]

Sodium new houttuyfonate (SNH) is volatile oil extracted from Houttuynia cordata Thunb. Its molecular formula is C14H27O5SNa, and molecular weight is 330.41. It is a new anti-inflammatory drug that has been used clinically over recent years. In this work, the binding interaction simulation study on SNH and epidermal growth factor receptor-tyrosine kinase (EGFR-TK) was conducted. SNH demonstrated a good binding ability to EGFR-TK and formed hydrogen-bonds with Cys773, Asp776, and Tyr777. This indicated that SNH might play an antitumor role as a potential inhibitor of EGFR-TK. In vitro, after treatment with various doses of SNH for 48 h, the viability of MCF-7 cells was 100.0, 98.23, 83.45, 76.24, 68.53, and 32.24, respectively, accompanied by a concentration increase in SNH. Moreover, cell viability of 250 μg/mL group decreased by more than 30%. Meanwhile, SNH significantly decreased cell cloning ability, and the quantities of clones were 456, 283, 137, and 152 in different groups (0 μg... [more]

Methods for removing pollutants include membrane isolation, ion exchange, precipitation, transformation, and biosorption. Adsorption is a cost-effective method of treating industrial wastewater and a common commercial method for concentrating valuable molecules or eliminating contaminants. Banana peel is one of the largest underutilized agricultural wastes in Malaysia. A novel method of using a low-cost biosorbent made from banana peel and Evans blue (EB) dye as a target is the target of this study. The optimal conditions for EB dye adsorption occurred at a dye concentration of 200 mg/L, adsorbent dosages between 10 and 20 g/L, temperature of 25 °C, incubation time of 180 min, and agitation speeds of 100 rpm. Statistical discriminatory analysis showed that the pseudo-second-order kinetic model and the Redlich−Petersen isotherm model were the best models. The maximum adsorption capacity based on Langmuir’s isotherm prediction was 58.51 mg g−1. A non−linear regression of the thermodynami... [more]

His-tags are widely used for the purification of recombinant proteins. High-cost carriers functionalized with nickel ions are commonly required for the selective immobilization of His-tagged enzymes. In this study, His-tags of varying lengths were fused to the N-terminus of D-amino acid oxidase (DAO) from Trigonopsis variabilis. The attachment of a His6 tag significantly improved the solubility of the recombinant DAO expressed in Escherichia coli. By modulating the tag lengths, a better balance between cell growth and protein solubility was achieved, resulting in a higher volume activity (His3). Furthermore, the fusion of longer tags (His6 and His9) facilitated the rapid immobilization of DAOs onto a commercial epoxy carrier without metal bearing, resulting in more selective immobilization. In conclusion, the modulation of His-tag length was preliminarily demonstrated as a simple and cost-effective approach to achieve efficient expression, as well as fast and selective immobilization o... [more]

Optimizing or debottlenecking existing production plants is a challenging task. In this case study, an existing reversed phased chromatography polishing step for peptide purification was optimized with the help of a digital twin. The existing batch chromatography was depicted digitally with the general rate model. Model parameter determination and model validation was done with dedicated experiments. The digital twin was then used to identify optimized process variants, especially continuous chromatography steps. MCSGP was found to achieve high purities and yield but at the cost of productivity due to column synchronization. An alternative Continuous Twin Column chromatography process (CTCC) was established that eliminates unnecessary waiting times. Ensuring the same or higher purity compared to the batch process, the continuous process achieved a yield increase of 31% and productivity increase of 27.6%. Experimental long runs confirmed these results.

Octagon (HMX) is a typical organic pollutant of explosives in the surrounding environments of military factories, and it is widely regarded as a carcinogen which may enter the human body through wastewater and atmospheric exposure, resulting in potential health risks. Therefore, this paper studies the degradation of HMX by electrochemical oxidation. In this study, an electrochemical system was built using a copper plate as the cathode and a Ti/PbO2 electrode as the anode. The effects of various process variables, such as the initial pH value, the current density, and the distance between the electrodes, were investigated in relation to HMX degradation. Following this, performance optimization and intermediate analysis were carried out, along with an estimation of the energy consumption of HMX deterioration in various operating situations. The experimental results in this paper show that when the electrolyte concentration is 0.25 mol/L, the current density is 70 mA/cm2, the electrode sp... [more]