Antioxidant and Anti-inflammatory Applications of Aerva persica Aqueous-Root Extract-Mediated Synthesis of ZnO Nanoparticles.

In the present study, ZnO nanoparticles were synthesized by using aqueous extracts of Aerva persica roots. Characterization of as-prepared ZnO nanoparticles was carried out using different techniques, including powder X-ray diffraction (XRD), UV-vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and BET surface area analysis. Morphological analysis confirmed the small, aggregated flake-shaped morphology of as-synthesized ZnO nanostructures. The as-prepared ZnO nanoparticles were analyzed for their potential application as anti-inflammatory (using in vivo inhibition of carrageenan induced paw edema) and antioxidant (using in vitro radical scavenging activity) agents. The ZnO nanoparticles were found to have a potent antioxidant and anti-inflammatory activity comparable to that of standard ascorbic acid (antioxidant) and indomethacin (anti-inflammatory drug). Therefore, due to their ecofriendly synthesis, nontoxicity, and biocompatible nature, zinc oxide nanoparticles synthesized successfully from roots extract of the plant Aerva persica with potent efficiencies can be utilized for different biomedical applications.

Network pharmacology and experimental insights into STAT3 inhibition by novel isoxazole derivatives of piperic acid in triple negative breast cancer.

STAT3 is a crucial member within a family of seven essential transcription factors. Elevated STAT3 levels have been identified in various cancer types, notably in breast cancer (BC). Consequently, inhibiting STAT3 is recognized as a promising and effective strategy for therapeutic intervention against breast cancer. We herein synthesize a library of isoxazole (PAIs) from piperic acid [2E, 4E)-5-(2H-1,3-Benzodioxol-5-yl) penta-2,4-dienoic acid] on treatment with propargyl bromide followed by oxime under prescribed reaction conditions. Piperic acid was obtained by hydrolysis of piperine extracted from Piper nigrum. First, we checked the binding potential of isoxazole derivatives with breast cancer target proteins by network pharmacology, molecular docking, molecular dynamic (MD) simulation and cytotoxicity analysis as potential anti-breast cancer (BC) agents. The multi-source databases were used to identify possible targets for isoxazole derivatives. A network of protein-protein interactions (PPIs) was generated by obtaining 877 target genes that overlapped gene symbols associated with isoxazole derivatives and BC. Molecular docking and MD modelling demonstrated a strong affinity between isoxazole derivatives and essential target genes. Further, the cell viability studies of isoxazole derivatives on the human breast carcinoma cell lines showed toxicity in all breast cancer cell lines. In summary, our study indicated that the isoxazole derivative showed the significant anticancer activity. The results highlight the prospective utility of isoxazole derivatives as new drug candidates for anticancer chemotherapy, suggesting route for the continued exploration and development of drugs suitable for clinical applications.

Compatibility Effects of Waste Cooking Oil Biodiesel Blend on Fuel System Elastomers in Compression Ignition Engines.

Alternative energy sources, such as biodiesel, play a vital role in environmental protection. Waste cooking oil (WCO) biodiesel has promising applications in compression ignition engines. A major problem regarding biodiesel implementation is the deterioration and materials incompatibility of existing fuel system components with biodiesel. Variations in the composition of fuel prompted by the inclusion of biodiesel cause a variety of issues in diesel engine fuel systems where the elastomer is generally utilized as the fuel hose material and sealings. In this experimental work, the effects of the diesel and WCO biodiesel blends (B8, B16, B24, and B100) on Buna-N, ethylene propylene rubber (EPR), and polystyrene (PS) were examined by the immersion test, which was conducted for 160 h at various immersion temperatures of 30, 60, and 80 °C, respectively. The study also showed that the use of elastomer materials like Buna-N, EPR, and PS in diesel engines fueled up to 20% WCO biodiesel blends is advantageous; the overall compatibility improves by 100% compared to that obtained using neat diesel. The outcome revealed remarkable behavior changes, including a minor increase in volume and a slight loss in tensile strength and hardness compared to that observed using neat diesel fuel. The expansion of rubber materials increases over 60 °C, although the rate of this process decreases above 80 °C. It has been found that the expansion of rubber materials is unaffected by the acid concentration of the WCO biodiesel blends but significantly affected by the moisture content.

Experimental Studies to Reduce Usage of Fossil Fuels and Improve Green Fuels by Adopting Hydrogen-Ammonia-Biodiesel as Trinary Fuel for RCCI Engine.

This study investigates the feasibility of hydrogen addition to achieve lower emissions and higher thermal efficiency in an ammonia-biodiesel-fueled reactivity-controlled compression ignition (RCCI) engine. A single-cylinder light-duty water-cooled compression ignition (CI) engine was adapted to run in RCCI combustion with port-injected ammonia and hydrogen as low reactive fuel (LRF) and direct-injected algal biodiesel as high reactive fuel (HRF). In our earlier study, the ammonia substitution ratio (ASR) was optimized as 40%. To optimize fuel and engine settings, hydrogen is added in quantities ranging from 5 to 20% by energy share. The combustion, performance, and emission characteristics were investigated for the trinary fuel operation. The result shows that the 20% hydrogen premixing with 40% ammonia-biodiesel RCCI operation increased the peak cylinder pressure (CP), peak heat release rate (HRR), and cumulative heat release rate (CHRR) by 15.12, 25.15, and 26.68%, respectively. Ignition delay (ID) and combustion duration (CD) were decreased by 15.53 and 11.24%, respectively. The combustion phasing angle was advanced by 4 °CA. The brake thermal efficiency (BTE) was improved by 15.49%, and brake specific energy consumption (BSEC) was reduced by 21.92%. While the nitrogen oxide (NOx) level was significantly increased by about 31.82%, the hydrocarbon (HC), carbon monoxide (CO), smoke, and exhaust gas temperature (EGT) were reduced by 24.53, 28.16, 25.82, and 17.47% as compared to the optimized ASR40% combustion.

Do domestic innovations promote trade openness? Empirical evidence from emerging economies.

Purpose: Innovation activities have gained much importance due to their pivotal role in achieving economic growth - directly by increasing productivity and - indirectly by increasing the degree of trade openness. This study aims to focus on the indirect channel, a rarely explored area of research, especially in the context of emerging economies. Methodology: To achieve the aim of the study, four proxies of innovation (resident patent applications, nonresident patent applications, scientific and technical journal articles, and research and development expenditures) are used to establish a robust relationship between innovation activities and trade openness in BRICS economies. Panel data from 2000 to 2020 is obtained from World Development Indicators and Penn World Tables. Econometric techniques of panel data such as fixed effect and generalized least squares are employed to extract results from the specified models. Findings: The findings of the study revealed that three proxies of innovation (i.e., resident patent applications, nonresident patent applications, scientific and technical journal articles) have a significant positive role in improving trade openness in the BRICS economies. However, the fourth proxy of innovation i.e., research and development expenditures had a negative impact on the degree of trade openness. Besides, innovation activities such as inflation rate and foreign direct investment have also influenced the degree of trade openness positively and significantly. Conversely, GDP per capita had a negative relationship with trade openness. Moreover, domestic investments showed a positive influence on the degree of trade openness while employment had a negative and insignificant influence on the degree of trade openness. Finally, the causality analysis revealed a one-way relationship running from innovations to trade openness. Implications: In view of the results obtained, the policymakers of the BRICS economies might focus on encouraging innovation activities to enhance the degree of trade openness. Increased trade openness will consequently contribute to economic growth enormously and thus the attainment of sustainable development goals (SDG-8). Policymakers are also suggested to encourage FDI inflows and further ensure a moderate inflation rate to improve the degree of trade openness and hence accelerate economic growth. Originality: This study focused on examining the nexus between innovation activities and trade openness in emerging economies, which is indeed an interesting but rarely explored area of research. The findings of the study might help the policymakers of the BRICS economies in formulating policies regarding trade openness and innovation activities.

COVID-19 Vaccination and Its Relation to New-Onset Diabetes: A Narrative Review.

The COVID-19 vaccination has been effective in preventing a lot of complications caused by SARS-CoV-2 and its variants. Meanwhile, diabetes mellitus, one of the root causes of many co-morbidities, exhibited itself during the COVID-19 pandemic and after COVID-19 vaccination. Diabetes mellitus introduced itself in a new perspective, leading to a variety of presentations and causing a significant number of emergency admissions. Many of the pre-diabetes patients with no prior history of diabetes developed fulminant type 1 diabetes mellitus (T1DM) after the COVID-19 vaccination. Some cases of conversion of type 2 diabetes mellitus (T2DM) into T1DM were reported. Some prediabetes/diabetes patients presented with the development of diabetic ketoacidosis after COVID-19 vaccination, whereas some previously healthy people with no relation to diabetes also developed acute exacerbations of new-onset T1DM or T2DM along with lethal ketoacidosis. The purpose of writing this review was to explore what kind of people are more prone to develop new-onset diabetes or diabetic complications, including diabetic ketoacidosis, the typical presentation of these patients, possible mechanisms that lead to these complications occurring after the COVID-19 vaccination, how they can be managed, and whether there is a good prognosis after management or not.

Is gender diversity is diversity washing or good governance for firm sustainable development goal performance: A scoping review.

In Industry 4.0, sustainability is the heart, and governance is the soul of the business, but diversity washing, greenwashing, and SDG washing are skeptical. This is due to the reactive/normative approach in dealing with sustainability and governance, which has created an amounting number of greenhouse gases, waste generation, and several business washing challenges. This study has explored the Scopus and Web of Science databases and searched for the keywords "Sustainable Development Goals" AND "Director," which provided 76 documents. However, when the authors added the third keyword, "ISO 37001-2021," along with the above two keywords, the database provided no study investigating the moderation role of ISO 37001-2021. Therefore, the study advocates the adoption of newly developed ISO 37000:2021 good governance standards for greenwashing, SDG washing, and diversity washing challenges without failing to contribute to the firm sustainable development goal performance and earning management. Secondly, the independent director attribute's role is vital due to the potential, power, position, and evidence to adopt ISO 37000:2021 standards. Thirdly, the scoping review study has proposed a conceptual model to extend the reporting discloser and transparency. It goes beyond mere compliance, contributes towards societal development, and promotes adopting sustainable development goal performance and reporting as a new non-financial parameter for evaluating the firm's performance. Lastly, this will boost firm sustainability and adopt the circular economic model, creating a unique competitive edge and green governance goodwill among the business's external stakeholders and attracting sustainably responsible investors.

Green Synthetic Methods of Oxazine and Thiazine Scaffolds as Promising Medicinal Compounds: A Mini-Review.

Medical researchers have paid close attention to the green synthesis of oxazine and thiazine derivatives since they provided a lead molecule for the creation of numerous possible bioactive compounds. This review provides more information on green synthesis, which will be very helpful to researchers in creating the most effective, affordable, and clinically significant thiazine and oxazine derivatives that are anticipated to have strong pharmacological effects. This has resulted in the identification of several substances with a wide range of intriguing biological functions. This article's goal is to examine the numerous green chemical processes used to create oxazine and thiazine derivatives and their biological activity. We anticipate that researchers interested in oxazine and thiazine chemicals will find this material to be useful. We anticipate that medicinal chemists looking for new active medicinal components for drug discovery and advance progress will find this review of considerable interest.

Is fiscal deficit 'curse' or 'haven' for environmental quality in India? Empirical investigation employing battery of distinct ARDL approaches.

Undoubtedly, throughout the past half-century, environmental quality has emerged as a significant obstacle to both economic and social endeavors. Recent local and international policy debates have focused on environmental deterioration and global warming, but how governments balance economic growth and environmental sustainability is still enigmatic. For this reason, we have examined the determinants of environmental quality in India from 1972 to 2021. More specifically, we have investigated whether the fiscal deficit is 'curse' or 'haven' for environmental quality (CO2) in India. Moreover, this study deliberated four other predictors, comprising technological development (TIN), fossil fuel consumption (FFC), urbanization (Ub), and human capital index (HCI). In order to attain this objective, a range of econometric estimation techniques are employed to ensure the validity and reliability of the outcomes. For instance, we have employed a battery of ARDL approaches, such as standard ARDL, nonlinear ARDL, and multiple threshold NARDL approaches. In light of our research findings, we will be focusing directly on the examination of the NARDL and MTNARDL outcomes. This is due to the empirical evidence indicating the existence of asymmetric effects resulting from FD on CO2 emissions in India. The NARDL approach reveals that the consequence of fiscal deterioration is more pronounced, and the influence of fiscal progress is mild in terms of CO2 emission growth. Further, the outcomes of the MTNARDL approach revealed that the size of the extremely low changes in FD is much higher than the extremely high changes in FD in both models. This implies that as the FD rises, CO2 ascends more significantly, and when the FD lowers, CO2 declines progressively. In a nutshell, FD has a long-run positive and asymmetric impact on CO2 in India; thus, we may conclude that FD is considered the 'curse' for CO2 in India. Furthermore, TIN, HCI, and Ub have detrimental effects on CO2, whereas FFC stimulates CO2 in India. This research work provides some important policy implications for environmentalists, economists and macroeconomic policymakers to promote a green and healthy environment.

Assessment of users' adoption behaviour for stock market investment through online applications.

Investing in stocks has become increasingly accessible, with beginners able to start an account via a brokerage's website or mobile app with very little money. Online trading through applications allows you to trade independently without a broker's interference. This not only lowers the overall cost of trading but also makes it hassle-free, increasing the value of the business significantly. Using an online trading account gives an investor more control. This paper examined the user's perspective on stock market investment through online applications. The impact of users' awareness, benefits & choice of investment, reliability, safety, risk-related factors, financial literacy, technical aspect, and dependency was analyzed on users' adoption behaviour. An empirical survey with a valid sample of 424 respondents from India was collected from the respondent and analyzed using descriptive analysis, correlation analysis, reliability analysis, analysis of variance, and regression analysis. Results indicated that users' awareness, benefits & choice of investment, reliability, safety, risk-related factors, financial literacy, technical aspect, and dependency significantly influence the users' adoption behaviour in using stock trading applications. The findings will assist potential investors in comprehending the factors influencing the adoption of such apps and aiding the organizations engaged in operating or creating such applications in understanding user behaviour, which will significantly add value to the society at large.

Experimental Investigation and Characterization of Friction Stir Spot-Welded Dissimilar Aluminum Copper Metallic Lap Joints.

Due to their contrasting physical properties, joining materials like copper and aluminum has always proven difficult. The disadvantages of traditional joining methods include additional weight, solidification problems, and energy waste. Friction stir spot-welding (FSSW) was utilized for joining copper and aluminum in order to get around these difficulties. This study illustrates that friction stir spot-welding (FSSW) produces joints between incompatible copper and aluminum alloys with better mechanical and electrical properties. The numerous FSSW parameters play an important role in deciding how well the welded joint performs. Tool rotational speed (TRS), plunge rate (PR), and dwell duration (DT) are the study parameters. During manufacture, a case-hardened H13 tool was used to lap-joint AA 6061 T6 hot-rolled aluminum flat strips with C11000 copper strips while operating at three different levels of TRS, PR and DT. SEM analysis was utilized to investigate the interface region and bimetallic interface of the joints. In order to demonstrate modifications in the grain-related characteristics, the joints were examined for electrical conductivity, mechanical strength (lap shear, bending, and microhardness test), and analysis of the microstructure at the weld zones. The outcome demonstrates that other factors, such as plunge rate, dwell time, and tool rotation speed, had the greatest impact on the joints' electrical conductivity, mechanical strength, and microstructure.

An Overview of Various Rifampicin Analogs against Mycobacterium tuberculosis and their Drug Interactions.

The success of the TB control program is hampered by the major issue of drug-resistant tuberculosis (DR-TB). The situation has undoubtedly been made more difficult by the widespread and multidrug-resistant (XDR) strains of TB. The modification of existing anti-TB medications to produce derivatives that can function on resistant TB bacilli is one of the potential techniques to overcome drug resistance affordably and straightforwardly. In comparison to novel pharmaceuticals for drug research and progress, these may have a better half-life and greater bioavailability, be more efficient, and serve as inexpensive alternatives. Mycobacterium tuberculosis, which is drugsusceptible or drug-resistant, is effectively treated by several already prescribed medications and their derivatives. Due to this, the current review attempts to give a brief overview of the rifampicin derivatives that can overcome the parent drug's resistance and could, hence, act as useful substitutes. It has been found that one-third of the global population is affected by M. tuberculosis. The most common cause of infection-related death can range from latent TB to TB illness. Antibiotics in the rifamycin class, including rifampicin or rifampin (RIF), rifapentine (RPT), and others, have a special sterilizing effect on M. tuberculosis. We examine research focused on evaluating the safety, effectiveness, pharmacokinetics, pharmacodynamics, risk of medication interactions, and other characteristics of RIF analogs. Drug interactions are especially difficult with RIF because it must be taken every day for four months to treat latent TB infection. RIF continues to be the gold standard of treatment for drug-sensitive TB illness. RIF's safety profile is well known, and the two medicines' adverse reactions have varying degrees of frequency. The authorized once-weekly RPT regimen is insufficient, but greater dosages of either medication may reduce the amount of time needed to treat TB effectively.

Diverse Pharmacological Potential of different Substituted Pyrazole Derivatives.

The chemistry of heterocyclic compounds has been a topic of research interest. Some five-membered heterocyclic compounds have been the subject of extensive research due to their different types of pharmacological effects. The five-membered nitrogen-containing heterocyclic compounds pyrazole, pyrazoline, and pyrazolone derivatives have a lot of interest in the fields of medical and agricultural chemistry due to their diverse spectrum of therapeutic activities. Various substituted pyrazole, pyrazoline, and pyrazolone compounds exhibited diverse pharmacological effects like Anti-microbial, anti-inflammatory, anti-tubercular, anti-fungal, anti-malarial, anti-di-abetic, diuretic, anti-depressant, anticonvulsant, antioxidant, anti-leishmanial, antidiabetic, and antiviral, etc. In recent decades, the synthesis of numerous pyrazole, pyrazoline, and pyrazolone derivatives by different synthetic methods as well as research into their chemical and biological behavior have become more important. This review focuses on synthetic methods of the pyrazole, pyrazoline, and pyrazolone derivatives, which have significant biological properties and a variety of applications.

Frequency of Gastroparesis Symptoms in Patients With Type-2 Diabetes Mellitus at a Tertiary Care Hospital in Pakistan.

Background Gastroparesis symptoms seem to affect many diabetes mellitus patients. Pakistan has a high prevalence of diabetes, with an estimated 33 million people living with the condition. This study aimed to investigate the frequency of gastroparesis symptoms in patients with type-2 diabetes mellitus (T2DM). Methods This cross-sectional study was conducted from April to May 2022 in the outpatient Department of Medicine at the University College of Medicine and Dentistry, Lahore, Pakistan. Patients of both genders aged between 18 and 75 years and having T2DM were analysed. Data regarding demographic information, medical history, BMI assessment, and symptoms related to gastroparesis, as measured by the Gastroparesis Cardinal Symptoms Index (GCSI) were collected at the time of enrolment. For gastroparesis, a diagnostic cutoff of ≥1.90 was considered as per GCSI. Results Of a total of 148 T2DM patients, 85 (57.4%) were females. The mean age was calculated to be 54.0±11.3 years, ranging between 23 and 75 years. There were 134 (90.5%) patients who were using metformin. The most common symptom was fullness, reported by 66 (44.6%), while nausea, bloating, early satiety, retching, and vomiting were noted in 61 (41.2%), 59 (39.9%), 55 (37.2%), 39 (26.4%), and 22 (14.9%) patients, respectively. The frequency of gastroparesis was found in 17 (11.5%) T2DM patients. Stratification of gastroparesis revealed a significant association with female gender (82.4% vs. 54.2%, p=0.0272). Conclusion The study found a high frequency of gastroparesis symptoms in patients with T2DM. Nausea and bloating were the most commonly reported symptoms, while vomiting was the least common. The prevalence of gastroparesis was significantly higher in the female gender.

Diverse pharmacological potential of pyridazine analogs against various diseases.

Pyridazinone analogs possess diverse types of pharmacological activities, such as anticancer, antimicrobial, anticonvulsant, analgesic, anti-inflammatory, antioxidant, antihypertensive, antisecretory, antiulcer, and other useful pharmacological activities. They also possess cyclooxygenase (COX) inhibitors, dipeptidyl peptidase inhibitors, phosphodiesterase inhibitors, glutamate transporter activators, adenosine receptor antagonists, serotonin receptors antagonists, lipooxygenase, cholinesterase, vasodilator, and anesthetics. Pyridazine rings are the essential structure for some marketed drugs, such as pimobendan, levosimendan as a cardiotonic drug, and emorfozan as an analgesic and anti-inflammatory (Non-steroidal anti-inflammatory drug) agent. So, researchers all over the world have paid attention to synthesizing various pyridazinone compounds mainly due to the ease of design and synthesis of different analogs and variables in the pharmacological responses. This review article focuses on the pharmacological activities of different pyridazine analogs.

Evaluation of Nootropic Potential of Aerva persica Roots against D-galactose-induced Memory Impairment.

BACKGROUND: The primary phytoconstituents reported to have neuroprotective effects are flavonoids and phenolic compounds. Aerva persica roots are reported to be rich in flavonoids and phenolic compounds. Therefore, this study aimed to explore the nootropic potential of Aerva persica roots. OBJECTIVE: The objective of this study was to evaluate the nootropic potential of Aerva persica roots against D-galactose-induced memory impairment. METHODS: In this study, the roots of Aerva persica were extracted with 70% ethanol. The obtained extract was evaluated for total phenolic content using the Folin-Ciocalteu method and total flavonoid content using the aluminium chloride colorimetric assay. Afterward, the acute oral toxicity of the extract was determined following the Organisation for Economic Co-operation and Development (OECD) guideline 423. Additionally, two doses of Aerva persica (100 and 200 mg/kg body weight (BW)) were evaluated for their nootropic potential against D-galactose-induced memory impairment. The nootropic potential of the crude extract was assessed through a behavioural study and brain neurochemical analysis. Behavioural studies involved the evaluation of spatial reference- working memory using the radial arm maze test and the Y-maze test. Neurochemical analysis was performed to determine the brain's acetylcholine, acetylcholinesterase, glutathione (GSH), and malondialdehyde (MDA) levels. RESULTS: The total phenolic content and total flavonoid content were found to be 179.14 ± 2.08 µg GAE/mg and 273.72 ± 3.94 µg QE/mg, respectively. The Aerva persica extract was found to be safe up to 2000 mg/kg BW. Following the safety assessment, the experimental mice received various treatments for 14 days. The behavioural analysis using the radial maze test showed that the extract at both doses significantly improved spatial reference-working memory and reduced the number of total errors compared to disease control groups. Similarly, in the Y-maze test, both doses significantly increased the alteration percentage and the percentage of novel arm entry (both indicative of intact spatial memory) compared to disease control. In neurochemical analysis, Aerva persica at 200 mg/kg significantly normalised the acetylcholine level (p<0.0001) and GSH level (p<0.01) compared to disease control. However, the same effect was not observed with Aerva persica at 100 mg/kg. Additionally, Aerva persica at 200mg/kg BW significantly decreased the acetylcholinesterase level (p<0.0001) and decreased the brain's MDA level (p<0.01) compared to the disease control, whereas the effect of Aerva persica at 100 mg/kg BW in reducing acetylcholinesterase was non-significant. CONCLUSION: Based on the results, it can be concluded that the nootropic potential of Aerva persica was comparable to that of the standard drug, Donepezil, and the effect might be attributed to the higher content of flavonoids and phenolic compounds.

Green synthesis of a mesoporous hyper-cross-linked polyamide/polyamine 3D network through Michael addition for the treatment of heavy metals and organic dyes contaminated wastewater.

Environmental pollution is the greatest challenge of the modern age due to unprecedented industrialization and urbanization that has led to the contamination of water resources with a wide range of pollutants. The release of untreated industrial and municipal wastewater to water bodies further intensifies the problem. The presence of heavy metals and organic contaminants in water poses significant threats to humans, aquatic life, and the environment. Adsorption is one of the famous water treatment technologies due to its simplicity, low cost, efficiency, and minimal secondary pollution. The selection or synthesis of an effective adsorbent is key to the success of the adsorptive removal of pollutants. In this work, we synthesized an adsorbent consisting of a mesoporous hyper-cross-linked polyamide/polyamine 3D network through a single-step Michael addition reaction. The adsorbent was characterized by FTIR, PXRD, TGA, SEM, and TEM to investigate its functional moieties, material nature, thermal, morphological, and internal structural features, respectively. Due to its mesoporous structure, presence of functional groups, and 3D hyper-cross-linked network, it efficiently removed heavy metals (Cd, Cr, and Pb) from aqueous media. The effect of various parameters such as sample pH, adsorbent dosage, contact time, and adsorbate concentrations was thoroughly investigated. The experimental data were analyzed by a variety of isotherm models wherein Langmuir was found to be the best fit for explaining the adsorption of all the metals. The adsorption kinetics was best explained by the pseudo-second-order model. The maximum adsorption capacities for Cd, Cr, and Pb were 60.98 mg g-1, 119 mg g-1, and 9.302 mg g-1, respectively. The synthesized adsorbent was also tested for removal of organic dyes, and it showed selective and fast removal of Eriochrome Black T. Polymeric resins can be promising materials for adsorptive remediation of pollutants in aqueous media.

Computational Studies and Antimicrobial Activity of 1-(benzo[d]oxazol-2-yl)-3,5-Diphenylformazan Derivatives.

BACKGROUND: Due to the biological importance of the benzoxazole derivatives, some 1-(benzo[d]oxazol-2-yl)-3,5-diphenyl-formazans (4a-f) were synthesized and screened for in-silico studies and in-vitro antibacterial activity. METHODS: The benzo[d]oxazole-2-thiol (1) was prepared by reacting with 2-aminophenol and carbon disulfide in the presence of alcoholic potassium hydroxide. Then 2-hydrazinylbenzo[d]oxazole (2) was synthesized from the reaction of compound 1 with hydrazine hydrate in the presence of alcohol. Compound 2 was reacted with aromatic aldehydes to give Schiff base, 2-(2-benzylidene-hydrazinyl)benzo[d]oxazole derivatives (3a-f). The title compounds, formazan derivatives (4a-f), were prepared by a reaction of benzene diazonium chloride. All compounds were confirmed by their physical data, FTIR, 1H-NMR, and 13CNMR spectral data. All the prepared title compounds were screened for in-silico studies and in-vitro antibacterial activity on various microbial strains. RESULTS: Molecular docking against the 4URO receptor demonstrated that molecule 4c showed a maximum dock score of (-) 8.0 kcal/mol. MD simulation data reflected the stable ligand-receptor interaction. As per MM/PBSA analysis, the maximum free binding energy of (-) 58.831 kJ/mol was exhibited by 4c. DFT calculation data confirmed that most of the molecules were soft molecules with electrophilic nature. CONCLUSION: The synthesized molecules were validated using molecular docking, MD simulation, MMPBSA analysis, and DFT calculation. Among all the molecules, 4c showed maximum activity. The activity profile of the synthesized molecules against tested micro-organisms was found to be 4c>4b>4a>4e>4f>4d.

Preparation, Characterization, and Chemically Modified Date Palm Fiber Waste Biomass for Enhanced Phenol Removal from an Aqueous Environment.

The date palm tree is extensively cultivated in Middle Eastern countries such as Saudi Arabia, generating a large amount of waste in the form of leaves, seeds, and fibrous materials. This study examined the feasibility of using raw date palm fiber (RDPF) and NaOH chemically modified date palm fiber (NaOH-CMDPF) obtained from discarded agricultural waste for the removal of phenol in an aqueous environment. The adsorbent characterization was performed by using different techniques, i.e., particle size analysis; elemental analyzer (CHN); and BET, FTIR, and FESEM-EDX analysis. The FTIR analysis revealed the presence of various functional groups on the surface of the RDPF and NaOH-CMDPF. The results showed that chemical modification by NaOH increased the phenol adsorption capacity that was well-fitted by the Langmuir isotherm. Higher removal was obtained with NaOH-CMDPF (86%) than with the RDPF (81%). The RDPF and NaOH-CMDPF sorbents' maximum (Qm) adsorption capacities were more than 45.62 mg/g and 89.67 mg/g and were comparable to the sorption capacities of various other types of agricultural waste biomass reported in the literature. The kinetic studies confirmed that the adsorption of phenol followed the pseudo-second-order kinetic process. The present study concluded that the RDPF and NaOH-CMDPF were eco-friendly and cost-effective in promoting sustainable management and the reuse of the Kingdom's lignocellulosic fiber waste material.

Potential Effect of Lemon Peel Oil with Novel Eco-Friendly and Biodegradable Emulsion in Un-Modified Diesel Engine.

The current research work is based on exploring a novel biological fuel source and renewable fuel offered by waste lemon fruit skin. Furthermore, bio-based multi-wall carbon nanotubes (BMWCNTs), emulsion, fossil diesel, and raw lemon peel oil were procured. The single-cylinder diesel engine was evaluated using these potential ingredients in terms of performance, combustion, and emission. Test engine results reveal that the presence of BMWCNT emulsion in the bio-fuel + blend + emulsion blend produced a lower (4.7%) brake thermal efficiency (BTE) and a higher (13.6%) brake-specific energy consumption (BSEC) at peak engine load conditions with diesel. The same test fuel blend possesses an equivalent heat release rate (HRR) and cylinder pressure trends to the diesel fuel blend due to an optimized air/fuel mixture and oxygen supply. Bio-fuel + blend + emulsion achieved step-down reductions of 7.83% carbon monoxide (CO) and 20.68% hydrocarbon (HC) emissions, as well as reductions of 27.7% nitrogen oxide (NOx) and 37.3% smoke emissions at peak engine load with diesel.