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Augmented Reality (AR) has emerged in our educational paradigm as a new tool to accelerate change in the teaching and learning process. This technology can improve students' visualisation skills, which helps them understand abstract concepts, especially in Chemistry. Furthermore, visualisation skills help improve students' critical thinking. This study was conducted with 16 secondary students. Before and after the intervention, students were required to complete a Purdue Spatial Visualisation Test to measure their visualisation skills. During four weeks of intervention, students explored the content using a mobile augmented reality application for learning chemical bonds (called CBOND) and completed critical thinking tasks each week. This study employed data mining using a decision tree to predict the path to improving students' visualisation and critical thinking skills in learning chemical bonds. The results revealed that CBOND had a significant effect on students' visualisation and critical thinking development. Therefore, this study proved that augmented reality technology could help students to visualise abstract concepts, especially in Chemistry, and in turn, foster their higher level of critical thinking.

It is widely known that the impact of atmospheric humidity on tribological phenomena is significant, particularly in the context of dry sliding. Previous reviews have comprehensively addressed various cases within this domain and this article aims to complement these reviews with recent findings. The review covers a wide spectrum of humidity levels, ranging from trace amounts of water in the order of a few vol ppb to the relative humidity levels experienced in daily life. It delineates the forms of adsorbed water on solid surfaces within each humidity range and explores the potential physical lubrication mechanism of the adsorbed water and its effects on tribological phenomena. In the past, explanations for this influence have tended to be qualitative, primarily viewed from the perspective of chemical reactions. This discussion seeks to broaden the understanding by considering the influences from a physical lubrication perspective. Concluding the review, recent research findings are presented, shedding light on instances where trace amounts of water present in gases such as hydrogen exert an influence on tribological phenomena.

The study showed the repellent effect of three types of plant powders, Mentha, Myrtus and Ocimum basilica, against rice weevil Sitophilus oryzae (L.) (Coleoptera: Curculionidae), the results of the study showed that the Myrtus powder had the highest rate of repellent to insects. It reached the highest percentage of repellent outside the loop within 24 hours 41% at concentration of 6% where it was found that there was a significant difference in percentage compared to other plant powders (Mentha, Ocimum basilica) reached 39.5% and 37.5 %, respectively.

Metal-organic frameworks (MOFs) are a relatively new class of materials of unique porous structures and exceptional properties. Currently, more than 110,000 types of MOFs have been reported among the countless possibilities. In this study, we have synthesised a novel MOF using zirconium chloride as the metal source and 4,4'-dicarboxy-2,2'-biquinoline (bicinchoninic acid disodium salt) as the linker, which reacted in N,N-Dimethylformamide (DMF) solvent. Three preparation methods were employed to prepare five types of the MOF, and they were compared to optimize the synthesis conditions. The resulting MOFs, named Zr-BADS, were characterised using scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), microscopy, and X-ray diffraction (XRD). By incorporating methanol into the preparation solvent, the surface area was increased to 396 m2/g. Additionally, the prepared MOFs exhibited amorphous shapes, with variations in size depending on the synthesis method. This research demonstrates the significance of the preparation method in controlling resulting particles’ properties.

ABSTRACTMalaysia is currently experiencing a feed shortage, and compounded with the contamination of feed, especially corn, a further shortage of feed is expected in the near future. Nanoscience-based technologies have recently become a hot topic in the agricultural sector as a way to improve the quality of agricultural products. Nanoemulsion is a major thrust in this field because it is easily formulated with a variety of ingredients and equipment. Oil-in-water nanoemulsions, in particular, are being used as delivery methods for a variety of hydrophobic compounds for use in agricultural products, including essential oils. The use of essential oil in the form of nanoemulsions as a fungal inhibitor to reduce fungal growth and fungal toxin production is the way forward for use in corn grain storage. The focus of this review is to compile and analyze the current body of information on the use of nanoemulsion-based delivery systems containing essential oils to control storage grain pathogens in general and corn grain in particular. As the use of essential oil in the form of a nanoemulsion for controlling mycotoxin contamination in corn grain storage is poorly reported, the information from this review will be useful for such work in the future.

Solanum nigrum is known locally as the nightshadesamily, and it is considered one of the widespread plants that possess great biochemical potential. This review dealt with providing a comprehensive summary of the biochemistry of this plant, as it contains Solanum nigrum. It contains an important group of biologically active substances, including flavonoids, and some phenolic derivatives. It also contains some alkaloids, epoxy derivatives, and other important compounds. These substances have important biological activity, including significant and powerful antioxidant and anti-inflammatory properties, as well as strong antimicrobial and anti-cancer properties, and other medically important properties. This plant has been used for medicinal purposes for a long time in treating many diseases. Finally, this review indicates the wide biological diversity in biochemistry. The study also touched on some potential applications in various fields, including nutrition and medicine.

This study showed all isolates of bacteria are identified by many testes , such as morphological, biochemical, and API20E testes, as, the results confirmed that the Gram-negative bacteria in Thi-Qar government during the period of June and July 2023-2024. A total of 60 non-duplicate urine samples from patients are collected and examined for detection of Gram-negative bacteria. The results show that out of 60 urine samples 35(58.33%) samples are positive for bacterial growth of Gram negative. The results of bacterial diagnosis depending on testing showed that the frequency of bacterial pathogens thatause UTI as the following 15 (42.85%) are Escherichia coli,7 (20.0%) Enterobacter cloacae, 5 (14.28%) Klebsiella pneumonia, 3 (8.57 %) are from each of Proteus mirabilis and Pseudomonas aeruginosa, and 2 (4.76%) are Citrobacter spp. Antibiotics were divided into three categories that work on (nucleic acid, protein inhibition ,and bacterial cell wall synthesis) and the three groups were compared with each other .It was concluded which of them was more effective and performed better in eliminating bacteria and the results appeared as follows: Gram negative bacteria showed 91.42 % resistance to ampicillin 85.7% resistance to amikacin, 65.71% resistance to levofloxacin, 45.71% resistance to Norfloxacin, 31.42 % resistance to azithromycin and 13.37% resistance to ciprofloxacin.

Beta thalassemia (β-thalassemia) is the most severe kind of β-thalassemia hereditary disease that makes blood transfusion dependent. Patients with β-thalassemia disease experience many physiological abnormalities, including oxidative stress, iron overload, and aggregated β-globin proteins. These abnormalities may also lead to premature RBC mortality. In the present study, 100 patients with β-thalassemia major with an average age of 16.30 ± 6.67 years old and 30 healthy controls with an average age of 14.63 ± 4.17 years old were included in this study. The serum levels of urea, creatinine, serotonin, and cortisol were investigated in the patient and control groups. The results showed a marked increase in the urea levels among the patients compared to the control group (from 14.63 ± 6.05 mg/dl in the control group to 24.98 ± 11.35 mg/dl in patient group) with P

The COVID-19 pandemic has led to a search for effective pharmaceuticals and vitamins to combat the virus. These therapies have antiviral capabilities and can affect both gram-negative and gram-positive bacteria. This study aims to assess the effectiveness of various medications and nutrients in treating bacterial infections linked to COVID-19. In vitro, tests will be conducted to evaluate these therapies' antibacterial efficacy against both gram-negative and gram-positive bacteria. In the current study, we test a group of antibiotics commonly used in treating Coronavirus on different types of Gram-positive and Gram-negative bacteria. They found that Azithromycin was highly effective against both positive and negative bacteria, but its effectiveness decreased when combined with vitamin D. Levofloxacin was the most effective antibiotic, and its efficacy was not affected by the addition of zinc or vitamin D. Acyclovir had a slight effect on bacteria when used alone, but its efficacy improved with zinc. Zinc and Vitamin D had a high degree of effectiveness, but Vitamin D had relatively low efficacy, except against one type of bacteria. The study aims to evaluate the effectiveness of drugs and vitamins against bacterial infections in COVID-19 patients. The results will provide a better understanding of the potential advantages of these medications in controlling bacterial infections. (The abstract should have one paragraph) The study aims to evaluate the effectiveness of drugs and vitamins against bacterial infections in COVID-19 patients. The results will provide a better understanding of the potential advantages of these medications in controlling bacterial infections.

A hydrogenated Diamond-Like Carbon (DLC) film possesses an ultra-low coefficient of friction in a low-humidity environment and higher as the humidity increases. This is due to the presence of water molecules in the atmospheric environment that is physically adsorbed and forming a thick layer on the surfaces that inhibits the growth of carbonaceous transfer film. One viable solution for this problem is to dope fluorine into the hydrogenated DLC film to decrease its surface energy. Therefore, this study varies carbon tetrafluoride feed as a doping source on the hydrogenated DLC film produced via plasma-enhanced chemical vapor deposition on 304 stainless steel substrates. The film hardness, carbon hybridization, and surface hydrophobicity were evaluated using nano-indentation testing, Raman spectroscopy, and contact angle measurement respectively. The coefficient of friction was analyzed by utilizing a ball-on-disc tribometer at a controlled temperature and humidity. The findings suggest that with the increase of the fluorine, the film hardness decreased as the sp3/sp2 carbon ratio decreased because weaker C–F bonds are substituting the strong C=C bonds. The increase in fluorine was also observed to produce a more hydrophobic surface. The ball-on-disc test analysis shows that the coefficient of friction was significantly reduced as the C-F bond increased which enables the prevention of carbonaceous transfer film through the adsorption of the water molecule.

A series of 2-oxo-6-[4-(1H-tetrazol-1-yl) phenyl-1,2-dihydropyridine-3-carbonitrile 3,4-dimethoxyphenyl)-2-oxo-6-4-(1H-tetrazol-1-yl) phenyl]-1,2-dihydropyridine-3-carbonitrile and 2-oxo-6-[4-(1H-tetrazol-1-yl) phenyl]-4-(thiophen-2-yl)- 1,2-dihydropyridine-3-carbonitrile), were prepared from the reaction of 4-aminoacetophenone, sodium azide in the presence of glacial acetic acid via cyclization reaction to produce (1-(4-(1H- 1,2,3,4tetrazole-1-yl) phenyl) ethan-1-one). Followed by condensation of (1-(4-(1H- 1,2,3,4tetrazole-1-yl) phenyl) ethan-1-one) with ethyl cyanoacetate, aromatic aldehydes, and ammonium acetate at 110℃ to give(3,4-dimethoxyphenyl)-2-oxo-6-4-(1H-tetrazol-1-yl)phenyl]-1,2-dihydropyridine-3-carbonitrile and 2-oxo-6-[4-(1H-tetrazol-1-yl) phenyl-1,2-dihydropyridine-3-carbonitrile 3,4-dimethoxyphenyl)-2-oxo-6-4-(1H-tetrazol-1-yl) phenyl]-1,2-dihydropyridine-3-carbonitrile and 2-oxo-6-[4-(1H-tetrazol-1-yl) phenyl]-4-(thiophen-2-yl)- 1,2-dihydropyridine-3-carbonitrile. The synthesized compounds were characterized by spectral methods (FT-IR and 1H-NMR & 13C-NMR). The synthesized compounds have been estimated in lab. for biological efficiency. Preliminary biological testing reveals that the compounds have exhibited activity against the two types of bacteria (staphylococcus aureus, and Klebsiella pneumonia). Both Compounds had high activities. Docking experiments for the compounds were undertaken in order to better understand the ligand-protein interactions in terms were done using py-px and BIOVIA/ Discovery studio of binding affinity. The computed binding affinities were consistent with the MIC values

In this study, we reported on the effect of the internal magnetic field arising from magnetic particles added to zinc oxide in certain proportions, which led to an improvement in the performance of the dye solar cell, We found that the magnetic effect It is the main factor that improves the ability to transfer electrons generated from the separation process between (electron-hole) pairs, And reduce the process of reunification between electrons and holes, The efficiency of the cell with a pure electrode was (1.38%), while the highest efficiency we got after doping was when doping with a ratio (97%ZnO+3%MnCoFeO4) reached (1.7%), i.e. the percentage increase in efficiency (23%).

Mercury is a natural, long-lasting, and bio-accumulative contaminant found in both soil and water. Mercury is toxic and its organic derivative, methylmercury (MeHg), could be lethal. The increasing level of mercury in the environment is a threat, as it can easily enter the food chain upon exposure. Zero-valent iron nanoparticle (nZVI), an environmentally friendly nanomaterial, is envisaged as an ideal candidate for the remediation of metal pollutions in soil and water bodies. Due to low toxicity and decent activity, nZVI and its corrosion products have shown huge potential for the removal of heavy metals from soil and water. It has been widely applied for the removal of heavy metals including mercury and other organic and inorganic contaminants. In this review, the current preparation methodology, characterization techniques, reductive mechanism for heavy metal removal with focus on mercury is reviewed. This review discusses the use of nZVI for the removal of mercury and demonstrates that nZVI possesses high reactivities for mercury removal and have great application prospects in environmental remediation. Some recommendations are proposed and conclusions drawn for future research.

Increased pressure and shear stress distributions at the limb–socket interface are hypothesised to result from changes in the residual limb shape and volume, which can cause socket fit difficulties. Accurate residual limb volume measurements may aid clinicians in developing strategies to accommodate volume fluctuations. This review primarily aims to analyse the techniques available for measuring the residual lower limb volume that may be used in clinical settings, as documented in the works published over the previous four decades. A comprehensive search of articles in PubMed, ScienceDirect, Web of Science, and Google Scholar identified 904 articles, and further analysis resulted in only 39 articles being chosen to be analysed. Based on the findings, there are nine techniques available to measure the residual limb volume: water displacement, anthropometric measurement, contact probes, optical scanning, spiral X-ray computed tomography (SXCT), magnetic resonance imaging (MRI), ultrasound, laser scanning, and bioimpedance. Considering the variety of techniques for determining residual limb volume, it is critical to choose the ones that best suit clinicians’ objectives, and each technique has potential sources of error that should be avoided by taking precautionary action. A comprehensive study of the measurement techniques is needed since researchers have developed and extensively utilised many new measuring devices, especially handheld 3D laser scanners.

Polycystic ovary syndrome (PCOS) is the most common endocrine-metabolic disease in females of reproductive age, affecting 4–20% of pre-menopausal women worldwide. MicroRNAs (miRNAs) are endogenous, single-stranded, non-coding, regulatory ribonucleic acid molecules found in eukaryotic cells. Abnormal miRNA expression has been associated with several diseases and could possibly explain their underlying pathophysiology. MiRNAs have been extensively studied for their potential diagnostic, prognostic, and therapeutic uses in many diseases, such as type 2 diabetes, obesity, cardiovascular disease, PCOS, and endometriosis. In women with PCOS, miRNAs were found to be abnormally expressed in theca cells, follicular fluid, granulosa cells, peripheral blood leukocytes, serum, and adipose tissue when compared to those without PCOS, making miRNAs a useful potential biomarker for the disease. Key pathways involved in PCOS, such as folliculogenesis, steroidogenesis, and cellular adhesion, are regulated by miRNA. This also highlights their importance as potential prognostic markers. In addition, recent evidence suggests a role for miRNAs in regulating the circadian rhythm (CR). CR is crucial for regulating reproduction through the various functions of the hypothalamic-pituitary-gonadal (HPG) axis and the ovaries. A disordered CR affects reproductive outcomes by inducing insulin resistance, oxidative stress, and systemic inflammation. Moreover, miRNAs were demonstrated to interact with lncRNA and circRNAs, which are thought to play a role in the pathogenesis of PCOS. This review discusses what is currently understood about miRNAs in PCOS, the cellular pathways involved, and their potential role as biomarkers and therapeutic targets.

Laboratory performance is a relative concept, but it is crucial in the whole testing process, as are quality and safety. The study aimed to assess the quality of performance of workers in medical laboratories within the health sector during the Corona pandemic. Materials and Methods: This cross-sectional study was conducted at 3 hospitals, 19 PHCCs distributed in 5 sectors, and 1 Public Health Laboratory randomly selected ( using a Multistage random sampling method) in Muthanna governorate. The period of study starts on 1 December 2021 – 31 March 2021. Results: The study found that 77.0% of the participants had a moderate assessment score, followed by 20.4% having a good assessment score. At the same time, the lowest percentage (2.6%) of the employees have a poor assessment score. Conclusions: The study finds that the overall evaluation of employees towards laboratory services is moderate and acceptable. Laboratory performance is a relative concept, but it is crucial in the whole testing process, as are quality and safety. The study aimed to assess the quality of performance of workers in medical laboratories within the health sector during the Corona pandemic. Materials and Methods: This cross-sectional study was conducted at 3 hospitals, 19 PHCCs distributed in 5 sectors, and 1 Public Health Laboratory randomly selected ( using a Multistage random sampling method) in Muthanna governorate. The period of study starts on 1 December 2021 – 31 March 2021. Results: The study found that 77.0% of the participants had a moderate assessment score, followed by 20.4% having a good assessment score. At the same time, the lowest percentage (2.6%) of the employees have a poor assessment score. Conclusions: The study finds that the overall evaluation of employees towards laboratory services is moderate and acceptable.

Postural stability may be affected during slope walking, as there are different body kinetics and kinematic responses compared with level walking. Understanding body adaptations toward different inclinations is essential to prevent the risk of injury from falls or slips. This study was conducted to determine the correlations between stability parameters and loading response in terms of joint reaction force at the lower-extremity joints during inclined and declined walking. Twenty male subjects walked in the level, incline, and decline directions on a custom-built platform at three different slope angles (i.e., 5°, 7.5°, and 10°). To determine the ground reaction force (GRF), joint reaction force (JRF), center of pressure (COP), and center of mass (COM), a motion capture system was used to read the data of the ten reflective markers and transfer them to visual three-dimensional (3D) software. Pearson’s correlation test was performed with statistical significance set at p < 0.05 to evaluate the correlation of the required coefficient of friction (RCOF), postural stability index (PSI), and COP-COM distance with the JRF. This study has identified that the JRF changes in opposition to the changes in the RCOF during the initial strike during incline and decline walking, as JRF increases, the RCOF decreases with different strengths of correlation. There is also a strong positive correlation between the PSI and JRF in the proximal–distal direction, where the JRFs change in accordance with the change in the PSI, and the JRF increases with the increment of PSI. In addition, the JRF of the lower extremity also changed in a manner similar to the COP-COM distance in the medial–lateral direction. Overall, each stability parameter was correlated with the JRF of the lower-extremity joints in different directions and strengths. This study demonstrated that slope walking is particularly affected by surface inclination in terms of stability and loading. Therefore, this research can serve as a basis for future studies on slopes, as there is no specific basis for a maximum degree of inclination that is safe and suitable for all applications.

Introduction: PIM kinases are targets for therapeutic intervention since they are associated with a number of malignancies by boosting cell survival and proliferation. Over the past years, the rate of new PIM inhibitors discovery has increased significantly, however, new generation of potent molecules with the right pharmacologic profiles were in demand that can probably lead to the development of Pim kinase inhibitors that are effective against human cancer.Method: In the current study, a machine learning and structure based approaches were used to generate novel and effective chemical therapeutics for PIM-1 kinase. Four different machine learning methods, namely, support vector machine, random forest, k-nearest neighbour and XGBoost have been used for the development of models. Total, 54 Descriptors have been selected using the Boruta method.Results: SVM, Random Forest and XGBoost shows better performance as compared to k-NN. An ensemble approach was implemented and, finally, four potential molecules (CHEMBL303779, CHEMBL690270, MHC07198, and CHEMBL748285) were found to be effective for the modulation of PIM-1 activity. Molecular docking and molecular dynamic simulation corroborated the potentiality of the selected molecules. The molecular dynamics (MD) simulation study indicated the stability between protein and ligands.Discussion: Our findings suggest that the selected models are robust and can be potentially useful for facilitating the discovery against PIM kinase.

Due to the importance of ceramic materials, especially of the perovskite type, this study included the synthesis of calcium titanate using dolomite as a natural calcium source from the Iraqi environment. Firstly, the work included preparing of calcium sulfate dihydrate from dolomite using dilute sulfuric acid, and then studying the optimal conditions for the formation of calcium titanate (CaTiO3) through the reaction of titanium dioxide with calcium sulfate dihydrate. The optimum conditions included: the ratio of titanium to calcium which was 1:0.5, 1:1, 1:1.5 and 1:2, respectively, as well as, the calcination temperature (1000, 1200 and 1300 °C) and finally the calcination time (1 and 2 h). The formation of calcium titanate was tracked by X-ray diffraction, and the results demonstrated that the optimum conditions are 1:1 at a calcination temperature of 1300 °C for 2 h. Moreover, the work included converting calcium titanate into calcium titanate nanoparticles using an environmentally friendly method which was achieved by using ultrasound on a liquid composed of calcium titanate in deionized water. The formation of calcium titanate nanoparticles was proved by TEM, which showed the formation of regular and irregular square-like nanoparticles with an average particle size of 55 nm. From an industrial point of view, this method is considered to be of low cost for the production of high cost nano-calcium titanate.

Infertility is defined by inability to conceive after one year or more of unprotected sexual intercourse. Its causes by several causes including viruses such as Hepatitis C Virus. Hepatitis C Virus is sexually transmitted virus effect on reproductive system in male and female and caused infertility. The aim of study was to finding the correlation between Hepatitis C Virus and infertility. Case control study using ELISA technique for 90 serum samples, 50 patients with infertility (males and females) selected from private laboratories in Al-Nasiriya city from November 2021 to February 2022. Inclusion criteria of subjects include male and female patients who have infertility with age range 16-46 years old. The diagnosis was based on the clinical and laboratory examinations under the supervision of a specialist physician. The control group included 40 adults per some (males and females) who have children and look healthy. Both patients and control group received a set of questions. The results showed mean age of patients and control in this study was 30.62 with higher infertility rate 43-46 years old. The results detection of anti–HCV IgM antibody the infection percentage in male was highest (92.00%) than in female. On the other hand, detection of anti–HCV IgG antibody appear the infection in female was greater (24.00%) than in male. Hepatitis C Virus (HCV) considered as risk factor to cause infertility in male and female by affecting reproductive functions in both sexes.

Diabetes is a global problem which impacts people of all ages. Diabetic retinopathy (DR) is a main ailment of the eyes resulting from diabetes which can result in loss of eyesight if not detected and treated on time. The current process of detecting DR and its progress involves manual examination by experts, which is time-consuming. Extracting the retinal vasculature, and segmentation of the optic disc (OD)/fovea play a significant part in detecting DR. Detecting DR lesions like microaneurysms (MA), hemorrhages (HM), and exudates (EX), helps to establish the current stage of DR. Recently with the advancement in artificial intelligence (AI), and deep learning(DL), which is a division of AI, is widely being used in DR related studies. Our study surveys the latest literature in “DR segmentation and lesion detection from fundus images using DL”.

Rivers are a source of life. However, these past years, the sustainability of rivers around the world has been threatened by urbanization, industrialization, and rapid development. These activities put pressure on waterway systems and rivers, leading to the emergence of riverine litter. The lack of understanding of the migration of litter in rivers can affect the decision-making efficiency of policymakers when it comes to riverine litter management. Therefore, the primary objective of this study is to evaluate the travel time for different densities of Floatable Litter (FL) in rivers influenced by river flow velocity. The density of the selected FL was manually determined by assessing litter characteristics of mass, volume, and size. The Sg. Berkelah river in Pahang, Malaysia was used as the simulation medium for the sampling of FL travel time utilizing the extrapolation of the Time of Travel (ToT) approach. The ToT technique utilizes a 30 m distance. The sampling was done under three different river flow velocity conditions. In this study, a correlation analysis between these two variables was carried out and evaluated. The results revealed that magazine papers possess the fastest FL travel time, with T = 43.93 s when v = 0.230 m/s, while cloth possesses the slowest FL travel time, with T = 204.90 s when v = 0.167 m/s. The travel time of FL is not influenced by low-class density, p < 1000 kg/m3, but by other factors that have a stronger influence on the travel time of horizontally migrated litter. This study provides a basic understanding and overview of FL migrating characteristics in rivers for further reference by local authorities for litter monitoring and also future riverine litter studies.

This study aimed to assess the effect of apical periodontitis and its treatment on the profile of salivary inflammatory markers and to investigate its correlation with serum inflammatory markers. Saliva samples were collected from 115 recruited participants. Patients were reviewed after 1 and 2 years following treatment. Saliva samples were analysed using Multiplex microbead immunoassay for identifying the inflammatory biomarkers’ profile. Biomarker levels were compared against healthy controls at baseline. Longitudinal comparison of those markers was further analysed for the review appointments and correlated with the size of the periapical radiolucency, treatment outcome and serum inflammatory biomarker levels. The salivary cytokines, matrix metalloproteinases (MMPs) and vascular adhesion molecules were higher at the review appointments. Pre-operative salivary levels of high-sensitivity C-reactive protein (hs-CRP) were significantly higher in the treatment group than in the control group (p < 0.001). At 1 year, hs-CRP was decreased than baseline. While, in 2 years, fibroblast growth factor (FGF)-23 was significantly lower compared to baseline levels (p = 0.005). Furthermore, the post-operative size of radiolucency was significantly correlated with the levels of several markers. When correlating the salivary levels of biomarkers with the serum levels, a significant correlation was seen in FGF-23 (p = 0.04) at baseline; in intercellular adhesion molecule (ICAM)-1 (p = 0.02) at 1 year post-treatment; and in TNF-α, ICAM-1 and E-Selectin at 2 years post-treatment (p = 0.046; p = 0.033; p = 0.019, respectively). Therefore, his study suggests that higher salivary cytokines, MMPs and vascular adhesion molecules at the post-treatment reviews are related to periapical bone healing and remodelling, whereas salivary FGF-23 and hs-CRP could be prognostic biomarkers. Correlation of some salivary with serum biomarkers suggests that saliva sampling could be a feasible non-invasive option for the measurement of inflammatory marker levels; however, further longitudinal studies are required.

The potential benefits of microwave irradiation for fructose dehydration into 5 hydroxymethylfurfural (5-HMF) have been quantified over a sulfonated metal–organic framework (MOF), MIL 101(Cr)-SO3H. The effects of temperature (140–170 °C), batch time (5–300 min), and catalyst-to-substrate ratio (0.1–0.01 g/g) were systematically mapped. After 10 min of microwave (MW) irradiation at 140 °C in a DMSO–acetone reaction medium, practically complete fructose conversion was obtained with a 70% yield of 5-HMF. Without MW, i.e., using conventional heating (CH) at the same conditions, the fructose conversion was limited to 13% without any 5-HMF yield. Rather, 90 min of CH was required to reach a similarly high conversion and yield. The profound impact of moving from CH towards MW conditions on the reaction kinetics, also denoted as the microwave effect, has been quantified through kinetic modeling via a change in the Gibbs free energy of the transition state. The modeling results revealed an eight-fold rate coefficient enhancement for fructose dehydration owing to MW irradiation, while the temperature dependence of the various reaction steps almost completely disappeared in the investigated range of operating conditions.

Currently, efforts to address the energy needs of large-scale power applications have expedited the development of sodium–ion (Na–ion) batteries. Transition-metal oxides, including Mn2O3, are promising for low-cost, eco-friendly energy storage/conversion. Due to its high theoretical capacity, Mn2O3 is worth exploring as an anode material for Na-ion batteries; however, its actual application is constrained by low electrical conductivity and capacity fading. Herein, we attempt to overcome the problems related to Mn2O3 with heteroatom-doped reduced graphene oxide (rGO) aerogels synthesised via the hydrothermal method with a subsequent freeze-drying process. The cubic Mn2O3 particles with an average size of 0.5–1.5 µm are distributed to both sides of heteroatom-doped rGO aerogels layers. Results indicate that heteroatom-doped rGO aerogels may serve as an efficient ion transport channel for electrolyte ion transport in Mn2O3. After 100 cycles, the electrodes retained their capacities of 242, 325, and 277 mAh g−1, for Mn2O3/rGO, Mn2O3/nitrogen-rGO, and Mn2O3/nitrogen, sulphur-rGO aerogels, respectively. Doping Mn2O3 with heteroatom-doped rGO aerogels increased its electrical conductivity and buffered volume change during charge/discharge, resulting in high capacity and stable cycling performance. The synergistic effects of heteroatom doping and the three-dimensional porous structure network of rGO aerogels are responsible for their excellent electrochemical performances.

The current study fabricated novel lead selenide nanoparticles (PbSe NPs) by a simple biological benign process with Trichoderma sp. WL-Go. Ultraviolet–visible spectroscopy (UV–vis), Transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transfer infra-red (FTIR) spectroscopic analysis, Raman spectroscopy and Photoluminescence (PL) were used to characterize the physicochemical properties of the fabricated NPs. Synthesis at pH 8 with 0.5 g biomass of strain WL-Go and (1:1) mM of SeO2: Pb(NO3)2 were the optimal synthesis conditions to achieving 10–30 nm cubic faced centered NPs. The PbSe NPs served as catalyst for investigating the antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and photodegradation ability of rhodamine B dye (10 mg/L). The results indicated that the NPs could eliminate up to 88.60% of free radicals after adding 600 g/mL NPs and could photodegrade 82% of rhodamine B in 30 min. Thus, this study provides new knowledge and strategies for the future use of an environmentally benign bio- catalytic PbSe NPs to efficiently eliminate free radicals and in treatment of persistent organic pollutants in wastewaters.

Gold nanoparticles (AuNPs) have shown a potential for biological applications due to their biocompatibility and high efficiency in drug delivery. Most of the times, the chemical routs are being used to synthesize the AuNPs products. In this paper, eco-friendly non-chemical rout was used to prepare AuNPs by utilizing hibiscus and curcumin extracts as reducing and stabilizing agents, and subsequently their anticancer activities were investigated. The synthesized AuNPs were characterized by using ultraviolet–visible spectroscopy (UV–Vis spectroscopy), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). UV–Vis spectroscopy analysis confirmed the characteristics absorption peak of gold, and FTIR findings were highlighted the characteristics boding. SEM and TEM analyses showed that the particles were predominantly spherical in shape. The particles were well dispersed when they were prepared under Hibiscus extracts with average size ∼ 13 nm. An interesting morphology was observed when AuNPs were prepared with curcumin, where particles displayed an interconnected morphology (average size ∼ 18 nm). The anticancer cell activity of AuNPs was studied against human colorectal carcinoma cells (HCT-116) and breast cancer cells (Michigan Cancer Foundation-7 (MCF-7)). The results of anticancer study showed that the treatment of cancer cells with AuNPs decreased the number of cells significantly as compared to control cells. The AuNPs -Hibiscus specimen showed a better inhibiting property than AuNPs -Curcumin, which is attributed to their uniform dispersion and small size.

Dry reforming of methane (DRM) is an emerging technology as it can simultaneously serve as a prospective alternative energy source and mitigate greenhouse gases (e.g. CH4 and CO2). However, the industrial applications of DRM remain restricted due to the poor prospect of catalyst deactivation. In this study, the effects of adding CeO2 and La2O3 as promoters on the catalytic performance of Ni/Al2O3 catalyst were assessed. Catalysts such as Ni/Al2O3, Ni/Al2O3-La2O3, and Ni/Al2O3-CeO2 were synthesized at nano level using the sol-gel method. Citric acid was added to improve the reactivity of catalysts before the application of DRM. Various characterisation techniques were used to characterise synthesized catalysts, including Brunauer-Emmett-Teller (BET) analysis, temperature-programmed reduction (TPR), field emission scanning microscopy (FESEM), X-ray diffraction (XRD), and transmission electron microscopy (TEM). The results revealed that the BET surface area of the synthesized catalyst slightly decreased when CeO2 and La2O3 were added due to the deposition on the porous structure of the support. Meanwhile, the XRD results demonstrated the increase in reducibility and dispersion of Ni using CeO2 promoter and the inhibited development of the non-active phase of Ni/Al2O3 using La2O3 promoter (i.e. NiAl2O4), resulting in the carbon formation and reduced efficiency of the catalyst. The catalytic performance in DRM at 800 °C showed that Ni/Al2O3-CeO2 catalyst exhibited higher catalytic performance in terms of CH4 and CO2 conversion with 89.6% and 91.2% respectively. While Ni/Al2O3-La2O3 was found to play a substantial role in the stability of the chemical reaction during the 8 h reaction time-on-stream.

The large amount of colored substances exist in the sugar mills wastewater that give higher organic load to the effluent. Therefore, a novel study of sugar mill wastewater treatment was carried out under photocatalysis by using a nanocomposite of silver phosphate-iron-graphene oxide-titanium phosphate (Ag3PO4/Fe/GTiP). The catalyst was prepared by simple chemical process with 2% content of Ag3PO4 to Fe/GTiP. The light, catalyst dosage, pH, and scavenger impacts on the decolorization and chemical oxygen demand (COD) removal from the sugar mill wastewater were observed. The highest decolorization and COD removal of 85.02% and 80.3% was achieved under pH-1 by using 50 W visible halogen light at catalyst dosage of 100 mg/75 ml in 200 min. The excellent recycled results were observed up to four cycles. The obtained results proves that this catalyst has high photocatalytic efficiency to treat the sugar mill wastewater. Keywords: Photocatalysis, Sugar mill, 2%Ag3PO4/Fe/GTiP, Decolorization, COD removal

The aim of this research was to characterize and analyze the formulation of emulsified modification bitumen (EMB) as well as the industrial wastes used in the formulation. Bitumen being a non-renewable product with severe environmental issues arising lately led to the use of industrial wastes such as plastic and recycled base oil in this research. Physical characteristic studies were performed to analyze the decomposition temperature, boiling point, flash point, density, moisture content, element content in waste plastics, and flowability of bitumen emulsion. Eight ratios of modified bitumen were formulated and compared with the industrial grade bitumen. The modified bitumen with a penetration value of 103 mm and softening value at 49 °C was chosen for the emulsification process where three emulsifiers were added into the mixture of bitumen and water. These samples were compared with the industrial bitumen emulsion. From the analysis, the formulated emulsion was obtained from a mixture consists of 20% bitumen, 7% polymer, and 73% recycled base oil.

Disabled-2 (DAB2), a key adaptor protein in clathrin mediated endocytosis, is implicated in the regulation of key signalling pathways involved in homeostasis, cell positioning and epithelial to mesenchymal transition (EMT). It was initially identified as a tumour suppressor implicated in the initiation of ovarian cancer, but was subsequently linked to many other cancer types. DAB2 contains key functional domains which allow it to negatively regulate key signalling pathways including the mitogen activated protein kinase (MAPK), wingless/integrated (Wnt) and transforming growth factor beta (TGFβ) pathways. Loss of DAB2 is primarily associated with activation of these pathways and tumour progression, however this review also explores studies which demonstrate the complex nature of DAB2 function with pro-tumorigenic effects. A recent strong interest in microRNAs (miRNA) in cancer has identified DAB2 as a common target. This has reignited an interest in DAB2 research in cancer. Transcriptomics of tumour associated macrophages (TAMs) has also identified a pro-metastatic role of DAB2 in the tumour microenvironment. This review will cover the broad depth literature on the tumour suppressor role of DAB2, highlighting its complex relationships with different pathways. Furthermore, it will explore recent findings which suggest DAB2 has a more complex role in cancer than initially thought.

Familial hypercholesterolaemia (FH) is caused by mutations in lipid metabolism genes, predominantly in low-density lipoprotein receptor (LDLR), apolipoprotein B (APOB), proprotein convertase subtilisin/kexin-type 9 (PCSK9) and LDL receptor adaptor protein 1 (LDLRAP1). The prevalence of genetically confirmed FH and the detection rate of pathogenic variants (PV) amongst clinically diagnosed patients is not well established. Targeted next-generation sequencing of LDLR, APOB, PCSK9 and LDLRAP1 was performed on 372 clinically diagnosed Malaysian FH subjects. Out of 361 variants identified, 40 of them were PV (18 = LDLR, 15 = APOB, 5 = PCSK9 and 2 = LDLRAP1). The majority of the PV were LDLR and APOB, where the frequency of both PV were almost similar. About 39% of clinically diagnosed FH have PV in PCSK9 alone and two novel variants of PCSK9 were identified in this study, which have not been described in Malaysia and globally. The prevalence of genetically confirmed potential FH in the community was 1:427, with a detection rate of PV at 0.2% (12/5130). About one-fourth of clinically diagnosed FH in the Malaysian community can be genetically confirmed. The detection rate of genetic confirmation is similar between potential and possible FH groups, suggesting a need for genetic confirmation in index cases from both groups. Clinical and genetic confirmation of FH index cases in the community may enhance the early detection of affected family members through family cascade screening.

The condition of each cup-and-pin insulator that forms a string must be considered in order to obtain effective guidance for contamination flashover mitigation. This paper describes an approach to assess the string condition based on the ultraviolet (UV) emitted by each cup-and-pin insulator during partial discharge condition. The UV patterns on the string were observed visually in the laboratory test. The criteria of string condition level was built based on the patterns and applied to the strings installed in the field. The index value expressing the string condition level in the field (level status) was then compared with the UV quantitative parameter extracted from the UV video. At the final stage, a logarithmic regression classification model was built based on these two values. The laboratory test results showed that there were three levels of string condition, namely level one (safest), level two, and level three (most dangerous). Most strings in the field had category level two, while most strings with level three were of the suspension type. The UV emission area parameters expressed in pixels and percentages were able to represent the sporadic nature of the discharge phenomenon. The proposed approach provided a predictive model with a mean absolute error of 0.182.

Phenol is an important pollutant widely discharged as a component of hydrocarbon fuels, but its degradation in cold regions is challenging due to the harsh environmental conditions. To date, there is little information available concerning the capability for phenol biodegradation by indigenous Antarctic bacteria. In this study, enzyme activities and genes encoding phenol degradative enzymes identified using whole genome sequencing (WGS) were investigated to determine the pathway(s) of phenol degradation of Arthrobacter sp. strains AQ5-05 and AQ5-06, originally isolated from Antarctica. Complete phenol degradative genes involved only in the ortho-cleavage were detected in both strains. This was validated using assays of the enzymes catechol 1,2-dioxygenase and catechol 2,3-dioxygenase, which indicated the activity of only catechol 1,2-dioxygenase in both strains, in agreement with the results from the WGS. Both strains were psychrotolerant with the optimum temperature for phenol degradation, being between 10 and 15 °C. This study suggests the potential use of cold-adapted bacteria in the bioremediation of phenol pollution in cold environments.

The development of a performant aminated catalyst for aldol condensations requires the combined tuning of the active site, support and solvent system. For this purpose, a pyrrolidine group was immobilized on a swellable polymer resin. Favorable interactions between the support and water (in its role as solvent) resulted in a turnover frequency (TOF) amounting to 3.0 ± 1.5 × 10−3 s−1, despite potential inhibition of the active sites by formation of iminium species. The affinity of the solvent for the poly[(ethylene glycol) methacrylate] support resulted in efficient swelling of the catalytic material, which was shown to be key to the observed catalytic performance.

The reputation of nanofluids as a convenient heat transfer media has grown in recent years. The synthesis of nanofluids is often challenging, particularly carbon-based nanofluids, due to the rapid agglomeration of the nanoparticles and the instability of the nanofluids. In this regard, surface modification and surfactant addition are potential approaches to improve the physical and thermal properties of carbon-based nanofluids that have been studied and the structural, morphological, and thermal characteristics of surface-oxidised carbon nanofibre (CNF)-based nanofluids has been characterised. Commercial CNF was first subjected to three different acid treatments to introduce surface oxygen functional groups on the CNF surface. Following the physical and thermal characterisation of the three surface-oxidised CNFs (CNF-MA, CNF-MB, and CNF-MC), including Raman spectroscopy, Fourier transform infrared (FTIR), thermogravimetric analysis (TGA), and field emission scanning electron microscopy (FESEM), the CNF-MB was selected as the best method to synthesise the surface-oxidised CNF-based nanofluid. A total of 40 mL of ultrapure water was used as a pure base fluid and mixed with the surface-oxidised CNF at a concentration range of 0.1–1.0 wt.%, with a fixed of 10 wt.% amount of polyvinylpyrrolidone (PVP). The thermal conductivity of CNF-based nanofluid was then characterised at different temperatures (6, 25, and 40 °C). Based on the results, surface oxidation via Method B significantly affected the extent of surface defects and effectively enhanced the group functionality on the CNF surface. Aside from the partially defective and rough surface of CNF-MB surfaces from the FESEM analysis, the presence of surface oxygen functional groups on the CNF wall was confirmed via the Raman analysis, TGA curve, and FTIR analysis. The visual sedimentation observation also showed that the surface-oxidised CNF particles remained dispersed in the nanofluid due to the weakened van der Waals interaction. The dispersion of CNF particles was improved by the presence of PVP, which further stabilised the CNF-based nanofluids. Ultimately, the thermal conductivity of the surface-oxidised CNF-based nanofluid with PVP was significantly improved with the highest enhancement percentage of 18.50, 16.84, and 19.83% at 6, 25, and 40 °C, respectively, at an optimum CNF concentration of 0.7 wt.%.

Owing to their high theoretical capacity, transition-metal oxides have received a considerable amount of attention as potential anode materials in sodium-ion (Na-ion) batteries. Among them, Mn3O4 has gained interest due to the low cost of raw materials and the environmental compatibility. However, during the insertion/de-insertion process, Mn3O4 suffers from particle aggregation, poor conductivity, and low-rate capability, which, in turn, limits its practical application. To overcome these obstacles, we have successfully prepared Mn3O4 nanoparticles distributed on the nitrogen (N)-doped and nitrogen, sulphur (N,S)-doped reduced graphene oxide (rGO) aerogels, respectively. The highly crystalline Mn3O4 nanoparticles, with an average size of 15–20 nm, are homogeneously dispersed on both sides of the N-rGO and N,S-rGO aerogels. The results indicate that the N-rGO and N,S-rGO aerogels could provide an efficient ion transport channel for electrolyte ion stability in the Mn3O4 electrode. The Mn3O4/N- and Mn3O4/N,S-doped rGO aerogels exhibit outstanding electrochemical performances, with a reversible specific capacity of 374 and 281 mAh g−1, respectively, after 100 cycles, with Coulombic efficiency of almost 99%. The interconnected structure of heteroatom-doped rGO with Mn3O4 nanoparticles is believed to facilitate fast ion diffusion and electron transfer by lowering the energy barrier, which favours the complete utilisation of the active material and improvement of the structure’s stability.

STEM education is gaining increasing attention globally to fulfill the acute shortage of STEM workforce. Executing STEM education is frequently viewed as a complex and challenging agenda. The current study proposes Integrated STEM-lab activities in the teaching and learning of electrolysis. The activities use real-world contexts as a platform to exhibit the transdisciplinary nature of integration of the four STEM disciplines. Embedded mixed methods research used quantitative one group pre-test--post-test design, and qualitative interviews were employed to measure the effectiveness of the Integrated STEM-lab activities in improving 50 secondary school students' (Form Four equivalent to Grade 9) understanding of electrolysis. The Electrolysis Diagnostics Instrument was administered for pre- and post-tests. One-way Multivariate Analysis of Variance (MANOVA) revealed that the Integrated STEM-lab activities effectively improved the students' understanding of electrolysis measured in three subscales (Wilks' lambda = 0.664;F(3,96) = 16.164; p o 0.05; Z = 0.336) with 33.6% of the variances in the pre- and post-tests explained by the treatment. The qualitative interview data supported and provided insight into understanding the quantitative findings. In the interviews, the students elaborated their understanding of electrolysis with details, and consistently the activities were referred to in their responses. The findings of this study suggest that Integrated-STEM lab activities are suitable to address the limitation of the existing laboratory activities for knowledge construction. The activities are exemplary for integrating the four STEM disciplines into the standard science curriculum.

Cu/ZnO catalysts promoted with Mn, Nb and Zr, in a 1:1:1 ration, and supported on Al2O3 (CZMNZA) and SBA-15 (CZMNZS) were synthesized using an impregnation method. The catalytic performance of methanol synthesis from CO2 hydrogenation was investigated in a fixed-bed reactor at 250 °C, 22.5 bar, GHSV 10,800 mL/g·h and H2/CO2 ratio of 3. The CZMNZA catalyst resulted in higher CO2 conversion and MeOH selectivity of 7.22% and 32.10%, respectively, despite having a lower BET surface area and pore volume compared to CZMNZS. Methyl formate is the major product obtained over both types of catalysts. The CZMNZA is a promising catalyst for co-producing methanol and methyl formate via the CO2 hydrogenation reaction.

Enzymatic detection of organophosphate (OP) compounds can be tailored using highly sensitive and selective enzymes in the development of biosensors. Previously, mutant (YT) phosphotriesterase (PTE) was reported to efficiently hydrolyze Sp and Rp enantiomers of phosphotriester. This study reports the use of phosphotriesterase mutant YT (YT-PTE) immobilized onto reduced graphene oxide (rGO) and fabricated onto a screen-printed carbon electrode (SPCE) for electrochemical detection of OP compounds. Immobilization of YT-PTE onto rGO was secured using N-hydroxysuccinimide (NHS) and N-(3-dimethylaminopropyl)-N’-ethylcarbodiimide (EDC) cross-linker, and the resulting immobilized enzyme was able to retain up to 90% of its activity. Electrochemical analysis of the SPCE/rGO/YT-PTE showed detection of paraoxon in a linear range of 1 mM–0.005 μM with its limit of detection as low as 0.11 μM. SPCE/rGO/YT-PTE exhibited high selectivity towards paraoxon and parathion and have good reproducibility. Furthermore, detection of paraoxon was also possible in a real water sample with only minor interferences.

For years, organophosphorus poisoning has been a major concern of health problems throughout the world. An estimated 200,000 acute pesticide poisoning deaths occur each year, many in developing countries. Apart from the agricultural pesticide poisoning, terrorists have used these organophosphorus compounds to attack civilian populations in some countries. Recent misuses of sarin in the Syrian conflict had been reported in 2018. Since the 1950s, the therapy to overcome this health problem is to utilize a reactivator to reactivate the inhibited acetylcholinesterase by these organophosphorus compounds. However, many questions remain unanswered regarding the efficacy and toxicity of this reactivator. Pralidoxime, MMB-4, TMB-4, obidoxime, and HI-6 are the examples of the established oximes, yet they are of insufficient effectiveness in some poisonings and only a limited spectrum of the different nerve agents and pesticides are being covered. Alternatively, an option in the treatment of organophosphorus poisoning that has been explored is through the use of enzyme therapy. Organophosphorus hydrolases are a group of enzymes that look promising for detoxifying organophosphorus compounds and have recently gained much interest. These enzymes have demonstrated remarkable protective and antidotal value against some different organophosphorus compounds in vivo in animal models. Apart from that, enzyme treatments have also been applied for decontamination purposes. In this review, the restrictions and obstacles in the therapeutic development of oximes, along with the new strategies to overcome the problems, are discussed. The emerging interest in enzyme treatment with its advantages and disadvantages is described as well.

Preparation and optimization of tetraethylenepentamine (TEPA) content in polyethylene/polypropylene (PE/PP) grafted with poly(glycidyl methacrylate) (PGMA) adsorbent for CO2 capture were investigated. The amination reaction parameters such as solvent type, amine to solvent ratio and reaction time were optimized using the Taguchi method to maximize the level of amination in the adsorbent. The obtained data were statistically analysed using the analysis of variance (ANOVA) and signal to noise (S/N) ratio. The chemical, morphological, structural, and thermal properties of the aminated fibrous adsorbent were investigated using Fourier transform infrared (FTIR), scanning electron microscope (SEM), X-ray diffraction (XRD) and thermal gravimetric analysis (TGA). The performance of the obtained TEPA-containing fibrous adsorbent was evaluated for adsorption of pure and mixed CO2/N2 gases under varying pressure up to 30 bar. The optimization of the amination parameters led to an adsorbent with improved properties in forms of not only 23% higher amination level and 27% greater TEPA utilisation efficiency but also 31.6% bigger CO2 adsorption capacity than its corresponding adsorbent obtained without optimization. The adsorbent also demonstrated high CO2/N2 selectivity and regeneration stability. The results suggest that the obtained TEPA-containing fibrous adsorbent is a promising candidate for CO2 capture from CO2/N2 gaseous mixture under various pressures.

Iota carrageenan purification was done by dissolving iota carrageenan powder in water. The purified iota carrageenan powder was analyzed by using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy and X-Ray Diffraction (XRD) analyses. The powder was used to form a purified iota carrageenan film based solid polymer electrolyte. Ionic conductivity value of the film was determined by using Electrochemical Impedance Spectroscopy (EIS). The conductivity value for purified iota carrageenan was 1.57 × 10−5 S cm−1 higher than iota carrageenan film. The films were analyzed by using ATR-FTIR, XRD and Field Emission Scanning Electron Microscopy with Energy Dispersive X-Ray Spectroscopy (FESEM-EDX). Electrochemical stability of iota carrageenan was improved after purification and had more ionic conduction as compared to iota carrageenan without purification. Keywords: ATR-FTIR, Purification, Iota carrageenan, Solid polymer electrolyte

Cu/ZnO catalysts were synthesized via an impregnation method on an Al2O3-ZrO2 support and modified by the addition of manganese and niobium as promoters. The effect of the selected promoters on the physicochemical properties and performance toward the hydrogenation of CO2 to methanol are presented in this paper. The Mn and Nb promoters improved the reducibility of the catalyst as evidenced by the shifting of the H2-TPR peaks from 315 °C for the un-promoted catalyst to 284 °C for the Mn- and Nb-promoted catalyst. The catalytic performance in a CO2 hydrogenation reaction was evaluated in a fixed-bed reactor system at 22.5 bar and 250 °C for 5 h. Amongst the catalysts investigated, the catalyst with equal ratio of Mn and Nb promoters exhibited the smallest particle size of 6.7 nm and highest amount of medium-strength basic sites (87 µmol/g), which resulted in the highest CO2 conversion (15.9%) and methanol selectivity (68.8%).

Despite available treatments, breast cancer is the leading cause of cancer-related death. Knowing that the tyrosine phosphatase SHP2 is a regulator in tumorigenesis, developing inhibitors of SHP2 in breast cells is crucial. Our study investigated the effects of new compounds, purchased from NSC, on the phosphatase activity of SHP2 and the modulation of breast cancer cell lines’ proliferation and viability. A combined ligand-based and structure-based virtual screening protocol was validated, then performed, against SHP2 active site. Top ranked compounds were tested via SHP2 enzymatic assay, followed by measuring IC50 values. Subsequently, hits were tested for their anti-breast cancer viability and proliferative activity. Our experiments identified three compounds 13030, 24198, and 57774 as SHP2 inhibitors, with IC50 values in micromolar levels and considerable selectivity over the analogous enzyme SHP1. Long MD simulations of 500 ns showed a very promising binding mode in the SHP2 catalytic pocket. Furthermore, these compounds significantly reduced MCF-7 breast cancer cells’ proliferation and viability. Interestingly, two of our hits can have acridine or phenoxazine cyclic system known to intercalate in ds DNA. Therefore, our novel approach led to the discovery of SHP2 inhibitors, which could act as a starting point in the future for clinically useful anticancer agents.

The anti-diabetic activities of a series of chloropyrimidine derviatives 2a-k and 4a-k were investigated after they were designed, synthesized, and docked against the GLP-1 receptor target. In comparison to exenatide, which was utilized as a reference drug, the three chloropyrimidine synthesized compounds 2c, 2f and 4c exhibited potent in vitro and in vivo antidiabetic activities. Interestingly, compounds 2c, 2f and 4c showed to be the most effective in lowering blood glucose levels and led to even higher glucose uptake than the reference drug, exenatide. Consistent with the in vitro and in vivo data, compounds 4c and 2f had the lowest docking energy scores (Glide-XP score = 5.1 kcal/mol) and the greatest ligand efficiency score (> − 0.40 kcal/mol) among all docked compounds. These findings give up new possibilities for the development of high-efficacy compounds to treat hyperglycemia.