Search

In virtual laboratories, various cognitive aids are used to improve students' performance and assist them while completing experimental tasks. However, excessive use of cognitive aids in virtual laboratories can lead to a cognitive load on students which affects their performance. In this paper, we proposed the concept of adaptive aids virtual reality chemistry laboratory. User expertise, quantitatively measured in terms of errors and time spent, is used as an adaptation criterion to dynamically update adaptive aids (arrows, text or animations). The system modifies the contents of such aids for good, average, and weak students to give them the opportunity to improve their performance. In this manner, adaptive aids assist the users to perform an experiment in the proposed system correctly according to the correct procedure with high performance. For evaluation, we conducted a comprehensive user study with 59 participants from various institutions. These students were selected randomly by their teachers and contained different levels of students (i.e., weak, average, and good students). We also conducted a written quiz and based on their scores we divided them into three groups (i.e., good, average, and weak). The participants (students) were classified into three groups G1, G2, and G3 based on their expertise levels (i.e., good, average and low). Then each group conducted an experiment four times. Evaluations revealed that the proposed system consistently improved students' performance in four trials. In particular, weak students' performance greatly improved as compared to that of good and average students in terms of a variety of factors, including time and errors during the performance of experiments.

Full Potential Linearized Augmented Plane Wave method (FP-LAPW) was employed to investigate the behavior of cubic perovskite CsBeO3 under the influence of pressure. The spin polarized study has been carried out in PBE-GGA approximation under the application of pressure. The variation of pressure is attained by the appropriate reduction of volume for the compound. At equilibrium volume and at 0 GPa, the compound CsBeO3 is found to exhibit energy gap in the spin up direction and the spin down direction is largely conducting. With the reduction of volume and their corresponding increase in pressure, the electronic behavior changes for the compound. At a pressure of about 10 GPa, the s-orbital of Cs atom undergoes energy excitation to higher energy level due to an ordered dispersive effect at s-orbital. This results in the disappearance of energy gap and the compound becomes conducting in spin up direction and the half metallic ferromagnetism is found to disappear at increased pressure. Thermal properties such as Debye temperature and Curie point have been reported in this work. Elastic constants and anisotropy factor have been determined and compared at different pressures.

The conventional approach of drug development, which focused on inhibiting a single target, has been superseded by a more advanced strategy known as multi-target design. In this study, we describe the synthesis of new N-adamantyl-2-(2-(phenyl)hydrazone)-3-oxobutanamide (6a-k). These compounds were designed with the intention of serving as prospective drug like candidates that can target both alpha glucosidase and urease enzymes. For this purpose, both in-vitro and in-silico investigations were performed after synthesis and characterization. The density functional theory calculations were employed to calculate optimized geometries, global reactivity descriptors and frontier molecular orbital (FMO) analysis. All compounds were found reactive and compounds 6b, 6c, 6d and 6e were found the most stable. The synthesized compounds were also tested for their ability to inhibit the enzyme activities of urease and α-glucosidase. The compound 6c exhibited strong inhibition of urease enzyme, with IC50 value of 13.10 ± 0.55 µM, in comparison to the IC50 value of the standard inhibitor thiourea i.e., 16.4 ± 1.02 µM. In addition to this, compounds 6d and 6e demonstrated a significant α-glucosidase inhibition with IC50 values of 17.16 ± 0.91 µM but found less potent as compared to the standard inhibitor Acarbose, i.e. 9.80 ± 0.20 μM. The structure–activity relationship (SAR) was established and the in-vitro results were further supported by the molecular docking investigations and molecular dynamic simulation studies. The in-vitro and in-silico results demonstrated a strong correlation in assessing the drug-like characteristics of all synthesized compounds (6a-k). The in silico investigation confirmed the findings in the search for inhibitors against the listed enzymes by elucidating the binding relationship between most of the active compounds and the active site of urease and α-glucosidase.

S-scheme-based hydrothermal synthesis of SiO2@CuFe2O4-AgI composites was effectively described in this work. The photo-degradation of hazardous dyes like methylene blue (MB) and methyl orange (MO) was utilized to test nanocomposites with variable weight percent of AgI for photocatalytic activity in the visible range. In terms of photocatalytic activity, SiO2@CuFe2O4-AgI with a 15% AgI loading beat both pure and hybrid composites. In terms of MO degradation, the hybrid composite with 15% AgI loading degrades 16 times and 8 times faster than pristine CuFe2O4 and AgI samples, respectively, while in terms of MB degradation, it degrades 18.67 times faster and 9.33 times faster than pristine samples. The increased surface area decreased the recombination rate of photogenerated e− -h+ pairs, quicker separation of photogenerated carriers, and high redox capacity of SiO2@CuFe2O4-AgI (15%) all contribute to improved photocatalytic performance. The hybrid composite is chemically stable and reusable even after 10 cycles. Because of the coordinated Fermi level between CuFe2O4 and AgI, SiO2 acts as a transfer bridge for electrons in a layered structure. Furthermore, the scavenger experiment demonstrates that •O2-, •OH, and h+ are significant reactive species that efficiently aided the photodegradation of dyes. Current research proposes a novel and cost-efficient method for creating a stable semiconductor-based photocatalytic system and a viable strategy for future applications.

Bottom-up nanomaterial fabrication enables control over nano building-block structure and structure-property relationships, affording opportunities to engineer devices and materials with desirable electronic and optoelectronic behaviors. Here, the authors produce stable oligophenylene dithiol cross-linked gold nanoparticle nanosheets via interfacial self-assembly and show the emergent effects of the cross-linkers on the material’s electronic, optical and photoconducting properties.

Virtual chemistry laboratories (VCLs) are the alternative solutions of the physical laboratories, where students can virtually conduct their experiments with a lower cost, and in an efficient and safer way. Considering the importance of technology-enhanced learning and that of the experimental study, several VCLs have been proposed. However, the existing VCLs are static and only provide the simulation of pre-defined experiments, procedures, or safety procedures and cannot be adapted according to the students’ level or new experimental tasks. In this paper, we proposed a dynamic virtual chemistry lab (DVCL) where instructors or experts are allowed to add a new chemical experiment by adding its apparatus, chemicals, glassware, and mechanism or add something new to its properties. We conducted a subjective study with field experts to investigate the effect of proposed DVCL in secondary school chemistry education. During evaluation, twenty-seven field experts were participated and evaluated the proposed DVCL with system usability scale (SUS)-questionnaire and by a simple questionnaire. The results showed that the proposed DVCL is very helpful for students’ performance and mental modeling and also for effortlessly uplifting their knowledge for hands-on experiments.

The emergence of antibiotic-resistant strains of Pseudomonas aeruginosa (P. aeruginosa) presents a substantial obstacle in medical environments. To effectively tackle this problem, we suggest an innovative approach: employing a delivery system based on nanogels to administer lemongrass essential oil (LGO). Developed PVA and PLGA nanoparticle formulation efficiently encapsulates LGO with 56.23% encapsulation efficiency by solvent extraction technique, preserving stability and bioactivity. Nanogel: 116 nm size, low polydispersity (0.229), −9 mV zeta potential. The nanogel’s controlled release facilitated targeted LGO delivery via pH-controlled dissolution. Pure LGO had the highest release rate, while LGO-NP and LGO-NP-CG exhibited slower rates. In 15 h, LGO-NP released 50.65%, and LGO-NP-CG released 63.58%, releasing 61.31% and 63.58% within 24 h. LGO-NP-CG demonstrated superior antioxidant activity, a lower MIC against P. aeruginosa, and the most potent bactericidal effect compared to other formulations. This underscores the versatile efficacy of LGO, suggesting its potential to combat antibiotic resistance and enhance treatment effectiveness. Moreover, employing a nanogel-based delivery approach for LGO offers an efficient solution to combat drug resistance in P. aeruginosa infections. By employing strategies such as nanogel encapsulation and controlled release, we can enhance the effectiveness of LGO against antibiotic-resistant strains. This study establishes a robust foundation for exploring innovative approaches to treating P. aeruginosa infections using nanomedicine and paves the way for investigating novel methods of delivering antimicrobial drugs. These efforts contribute to the ongoing battle against antibiotic resistance.

This work aimed to overcome the disadvantages of the oral administration of beta-caryophyllene and boost efficiency by developing a nanostructured lipid carrier for topical administration of the drug in skin disorders. The heat emulsification method was utilized to produce beta-caryophyllene-loaded nanostructured lipid carriers. The newly created formulation was examined for its particle size, entrapment efficiency, and zeta potential after being improved using the Box–Behnken Design. The chosen formulation underwent tests to determine its ex vivo skin retention, dermatokinetic, in vitro release, antioxidant, and confocal laser scanning microscopy study. The findings of the characterization of the nanostructured lipid carriers demonstrated that the particles had a spherical form and a size of 210.86 nm (0.263 polydispersity index). The entrapment efficiency was determined to be 86.74%, and the zeta potential was measured to be −26.97 mV. The in vitro release investigation showed that nanostructure lipid carriers were capable of releasing regulated amounts of beta-caryophyllene for up to 24 hrs. In comparison to the traditional gel formulation, the ex vivo investigation demonstrated a 1.94-fold increase in the skin’s capacity to retain the substance. According to the findings of the study, nanostructure lipid carriers loaded with beta-caryophyllene have the potential to be investigated for use as a topical administration method in skin disorders with enhanced skin retention and effectiveness.

In this study, elastic nanovesicles, constructed of phospholipids optimized by Quality by Design (QbD), release 6-gingerol (6-G), a natural chemical that may alleviate osteoporosis and musculoskeletal-related pain. A 6-gingerol-loaded transfersome (6-GTF) formulation was developed using a thin film and sonication approach. 6-GTFs were optimized using BBD. Vesicle size, PDI, zeta potential, TEM, in vitro drug release, and antioxidant activity were evaluated for the 6-GTF formulation. The optimized 6-GTF formulation had a 160.42 nm vesicle size, a 0.259 PDI, and a −32.12 mV zeta potential. TEM showed sphericity. The 6-GTF formulation’s in vitro drug release was 69.21%, compared to 47.71% for the pure drug suspension. The Higuchi model best described 6-G release from transfersomes, while the Korsmeyer–Peppas model supported non-Fickian diffusion. 6-GTF had more antioxidant activity than the pure 6-G suspension. The optimized transfersome formulation was converted into a gel to improve skin retention and efficacy. The optimized gel had a spreadability of 13.46 ± 4.42 g·cm/s and an extrudability of 15.19 ± 2.01 g/cm2. The suspension gel had a 1.5 μg/cm2/h ex vivo skin penetration flux, while the 6-GTF gel had 2.71 μg/cm2/h. Rhodamine B-loaded TF gel reached deeper skin layers (25 μm) compared to the control solution in the CLSM study. The gel formulation’s pH, drug concentration, and texture were assessed. This study developed QbD-optimized 6-gingerol-loaded transfersomes. 6-GTF gel improved skin absorption, drug release, and antioxidant activity. These results show that the 6-GTF gel formulation has the ability to treat pain-related illnesses effectively. Hence, this study offers a possible topical treatment for conditions connected to pain.

Niosomes are multilamellar vesicles that effectively transfer active ingredients into the skin’s layers. To improve the active substance’s penetration across the skin, these carriers are frequently utilized as topical drug delivery systems. Essential oils (EOs) have garnered significant interest in the field of research and development owing to their various pharmacological activities, cost-effectiveness, and simple manufacturing techniques. However, these ingredients undergo degradation and oxidation over time, leading to a loss of functionality. Niosome formulations have been developed to deal with these challenges. The main goal of this work was to create a niosomal gel of carvacrol oil (CVC) to improve its penetration into the skin for anti-inflammatory actions and stability. By changing the ratio of drug, cholesterol and surfactant, various formulations of CVC niosomes were formulated using Box Behnken Design (BBD). A thin-film hydration technique using a rotary evaporator was employed for the development of niosomes. Following optimization, the CVC-loaded niosomes had shown: 180.23 nm, 0.265, −31.70 mV, and 90.61% of vesicle size, PDI, zeta potential, and EE%. An in vitro study on drug release discovered the rates of drug release for CVC-Ns and CVC suspension, which were found to be 70.24 ± 1.21 and 32.87 ± 1.03, respectively. The release of CVC from niosomes best fit the Higuchi model, and the Korsmeyer–Peppas model suggests that the release of the drug followed the non-Fickian diffusion. In a dermatokinetic investigation, niosome gel significantly increased CVC transport in the skin layers when compared to CVC–conventional formulation gel (CVC-CFG). Confocal laser scanning microscopy (CLSM) of rat skin exposed to the rhodamine B-loaded niosome formulation showed a deeper penetration of 25.0 µm compared to the hydroalcoholic rhodamine B solution (5.0 µm). Additionally, the CVC-N gel antioxidant activity was higher than that of free CVC. The formulation coded F4 was selected as the optimized formulation and then gelled with carbopol to improve its topical application. Niosomal gel underwent tests for pH determination, spreadability, texture analysis, and CLSM. Our findings imply that the niosomal gel formulations could represent a potential strategy for the topical delivery of CVC in the treatment of inflammatory disease.

This laboratory investigation was designed to test the influence of a novel bleaching formulation based on phthalimidoperoxycaproic acid (PAP) with additives on the surface and mechanical properties of nano- and micro-hybrid restorative composites. Twenty-four bar-shaped and twelve disk-shaped samples from each restorative composite were prepared. The samples from each restorative composite were randomly divided into two groups according to the treatment, i.e., experimental and control. The treated groups went through the bleaching process: by Opalescence Regular or novel PAP+-containing gel (HiSmile™). The treated group underwent a bleaching process for seven consecutive days (a 10-min session of bleaching application every day) before the properties were tested. A paired sample t-test was performed to compare the results between the experimental and the control groups. The level of significance was set at 0.05. The surface roughness of the nanohybrid composite using Opalescence Regular (p < 0.05) was significant. Additionally, a significant difference in nanohardness and elastic modulus between the experimental and the control groups of the microhybrid composite using Opalescence Regular was observed: p = 0.041 and p = 0.023, respectively. While a marked difference in flexural strength was observed in the experimental and control groups using Opalescence Regular, Hismile™ bleaching gel caused a diminutive and insignificant reduction in tested properties (p > 0.05). It was found that Opalescence Regular bleaching gel affects the surface and bulk properties of restorative composite materials, whereas the novel PAP+ formulation has no deleterious effect on either nano- or micro-hybrid restorative composites.

There are many different infections and factors that can lead to skin illnesses, but bacteria and fungi are the most frequent. The goal of this study was to develop a hexatriacontane-loaded transethosome (HTC-TES) for treating skin conditions caused by microbes. The HTC-TES was developed utilizing the rotary evaporator technique, and Box–Behnken design (BBD) was utilized to improve it. The responses chosen were particle size (nm) (Y1), polydispersity index (PDI) (Y2), and entrapment efficiency (Y3), while the independent variables chosen were lipoid (mg) (A), ethanol (%) (B), and sodium cholate (mg) (C). The optimized TES formulation with code F1, which contains lipoid (mg) (A) 90, ethanol (%) (B) 25, and sodium cholate (mg) (C) 10, was chosen. Furthermore, the generated HTC-TES was used for research on confocal laser scanning microscopy (CLSM), dermatokinetics, and in vitro HTC release. The results of the study reveal that the ideal formulation of the HTC-loaded TES had the following characteristics: 183.9 nm, 0.262 mV, −26.61 mV, and 87.79% particle size, PDI, and entrapment efficiency, respectively. An in vitro study on HTC release found that the rates of HTC release for HTC-TES and conventional HTC suspension were 74.67 ± 0.22 and 38.75 ± 0.23, respectively. The release of hexatriacontane from TES fit the Higuchi model the best, and the Korsmeyer–Peppas model indicates the release of HTC followed a non-Fickian diffusion. By having a higher negative value for cohesiveness, the produced gel formulation demonstrated its stiffness, whereas good spreadability indicated better gel application to the surface. In a dermatokinetics study, it was discovered that TES gel considerably increased HTC transport in the epidermal layers (p < 0.05) when compared to HTC conventional formulation gel (HTC-CFG). The CLSM of rat skin treated with the rhodamine B-loaded TES formulation demonstrated a deeper penetration of 30.0 µm in comparison to the hydroalcoholic rhodamine B solution (0.15 µm). The HTC-loaded transethosome was determined to be an effective inhibitor of pathogenic bacterial growth (S. aureus and E. coli) at a concentration of 10 mg/mL. It was discovered that both pathogenic strains were susceptible to free HTC. According to the findings, HTC-TES gel can be employed to enhance therapeutic outcomes through antimicrobial activity.

Novel antibiotics are needed due to the rise of antibiotic-resistant pathogens. Traditional antibiotics are ineffective due to antibiotic-resistant microorganisms, and finding alternative therapies is expensive. Hence, plant-derived caraway (Carum carvi) essential oils and antibacterial compounds have been selected as alternatives. In this, caraway essential oil as an antibacterial treatment was investigated using a nanoemulsion gel. Using the emulsification technique, a nanoemulsion gel was developed and characterized in terms of particle size, polydispersity index, pH, and viscosity. The results showed that the nanoemulsion had a mean particle size of 137 nm and an encapsulation efficiency of 92%. Afterward, the nanoemulsion gel was incorporated into the carbopol gel and was found to be transparent and uniform. The gel had in vitro cell viability and antibacterial activity against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The gel safely delivered a transdermal drug with a cell survival rate of over 90%. With a minimal inhibitor concentration (MIC) of 0.78 mg/mL and 0.78 mg/mL, respectively, the gel demonstrated substantial inhibition for E. coli and S. aureus. Lastly, the study demonstrated that caraway essential oil nanoemulsion gels can be efficient in treating E. coli and S. aureus, laying the groundwork for the use of caraway essential oil as an alternative to synthetic antibiotics in the treatment of bacterial infections.

In recent years, methicillin-resistant Staphylococcus aureus (MRSA) bacteria have seriously threatened the health and safety of the world’s population. This challenge demands the development of alternative therapies based on plant origin. This molecular docking study ascertained the orientation and intermolecular interactions of isoeugenol within penicillin-binding protein 2a. In this present work, isoeugenol as an anti-MRSA therapy was selected by encapsulating it into a liposomal carrier system. After encapsulation into the liposomal carrier, it was evaluated for encapsulation efficiency (%), particle size, zeta potential, and morphology. The percentage entrapment efficiency (% EE) was observed to be 57.8 ± 2.89% with a particle size of 143.31 ± 7.165 nm, a zeta potential of (−)25 mV, and morphology was found to be spherical and smooth. After this evaluation, it was incorporated into a 0.5% Carbopol gel for a smooth and uniform distribution on the skin. Notably, the isoeugenol-liposomal gel was smooth on the surface with a pH of 6.4, suitable viscosity, and spreadability. Interestingly, the developed isoeugenol-liposomal gel was safe for human use, with more than 80% cell viability. The in vitro drug release study shows promising results with 75.95 ± 3.79% of drug release after 24 h. The minimum inhibitory concentration (MIC) was 8.236 µg/mL. Based on this, it can be concluded that encapsulating isoeugenol into the liposomal gel is a potential carrier for MRSA treatment.

Engineering visible light active photocatalytic systems for renewable energy production and environmental remediation has always been a promising technology to counter overall energy demands and pollution challenges. As a fascinating conjugated polymer graphitic carbon nitride (g-C3N4) has been developed as a hotspot in the research field as a metal-free semiconducting material with the appealing band gap of 2.7 eV. Recently, g-C3N4 has gained tremendous interest in photocatalytic wastewater abatement as well as for hydrogen (H2) generation, carbon dioxide (CO2) reduction, and pollutant degradation, under exposure to visible light. Plasmonic silver halides (AgX) such as AgCl, AgBr, and AgI as plasmonic photocatalyst have received immense research interest owing to their escalating photocatalytic efficacy and strong surface plasmon resonance effect (SPR). AgX is the photosensitive, broad bandgap semiconducting materials with effectual antimicrobial properties. This review summarizes the heterostructure of carbonaceous g-C3N4 with plasmonic AgX, to reduce the recombination of photo-generated charge carriers, thus enhancing the natural light absorption. g-C3N4 grafted AgX nanoarchitectures can be utilized for several potential applications, for instance, overall water splitting (OWS), CO2 conversion to hydrocarbon fuels, pollutant exclusion, and antibacterial disinfection. This review focuses on the evolution of g-C3N4 as well as AgX, facile, and synthetic routes for fabrication of g-C3N4 tailored AgX, construction of nano-junctions (AgX/g-C3N4) with various photocatalytic applications. Finally, we provided a viewpoint of current hassles and some perceptions of novel trends in this exciting as well as developing research arena.

Nowadays, increasing extortions regarding environmental problems and energy scarcity have stuck the development and endurance of human society. The issue of inorganic and organic pollutants that exist in water from agricultural, domestic, and industrial activities has directed the development of advanced technologies to address the challenges of water scarcity efficiently. To solve this major issue, various scientists and researchers are looking for novel and effective technologies that can efficiently remove pollutants from wastewater. Nanoscale metal oxide materials have been proposed due to their distinctive size, physical and chemical properties along with promising applications. Cupric Oxide (CuO) is one of the most commonly used benchmark photocatalysts in photodegradation owing to the fact that they are cost-effective, non-toxic, and more efficient in absorption across a significant fraction of solar spectrum. In this review, we have summarized synthetic strategies of CuO fabrication, modification methods with applications for water treatment purposes. Moreover, an elaborative discussion on feasible strategies includes; binary and ternary heterojunction formation, Z-scheme based photocatalytic system, incorporation of rare earth/transition metal ions as dopants, and carbonaceous materials serving as a support system. The mechanistic insight inferring photo-induced charge separation and transfer, the functional reactive radical species involved in a photocatalytic reaction, have been successfully featured and examined. Finally, a conclusive remark regarding current studies and unresolved challenges related to CuO are put forth for future perspectives.

New benzimidazole analogues (1–18) were synthesized and characterized through different spectroscopic techniques such as 1H NMR, 13C NMR and HREI-MS. All analogues were screened for β-glucuronidase inhibitory potential. All analogues showed varied degree of inhibitory potentials with IC50 values ranging between 1.10 ± 0.10 to 39.60 ± 0.70 μM when compared with standard D-saccharic acid-1,4- lactone having IC50 value 48.30 μM. Analogues 17, 11, 9, 6, 1 and 13 having IC50 values 1.10 ± 0.10, 1.70 ± 0.10, 2.30 ± 0.10, 5.30 ± 0.20, 6.20 ± 0.20 and 8.10 ± 0.20 μM respectively, showed excellent β-glucuronidase inhibitory potential many folds better than the standard. All other analogues also showed good inhibitory potential better as compared to standard. Structure activity relationships (SAR) has been established for all compounds. The results from molecular docking studies supports the established SAR and developed a strong correlation with the results from in to vitro assay. The molecular docking results clearly highlighted how substituents like nitro and chloro affect the binding position of the active compounds in the active site. The docking results were also used to properly establish the effect of bulky substituents of least active compounds on reduced β-glucuronidase inhibitory activity. Compounds 1–18 were found non-toxic.

Neuropathic pain, a prevalent concern associated with various pathological conditions, poses a significant public health risk due to its poorly understood pathophysiology and treatment complexities. Multimodal therapy is often the most efficacious approach to managing neuropathic pain, yet it is also highly labour intensive. The exact underlying causes of neuropathic pain are unclear; evidence suggests that cytokines, neuropeptides, and neurotrophic factors may play a role in its pathogenesis. The current study aimed to investigate the anti-neuropathic pain activity of caraway oil and the molecular mechanisms underlying its actions in rats with CCI, a model of neuropathic pain. Behavioural evaluations of cold allodynia, heat hyperalgesia, mechanical allodynia, and mechanical hyperalgesia were conducted using the acetone spray test, hot plate test, Von Frey hair test, and pinprick test, respectively. Additionally, the level of TNF-α in the sciatic nerve was examined as an indicator of inflammation, and NGF and substance P levels were determined in the DRG to identify mechanistic processes. Rats were administered caraway oil orally at doses of 25 and 50 mg/kg for 21 days. Results indicated that caraway oil administration significantly reduced behaviour associated with injury-related pain and elevated TNF levels. After an anti-NGF injection on the 21st day, significant attenuated behavioural effects were observed. Furthermore, caraway oil administration was able to inhibit the upregulation of NGF in DRG caused by CCI and minimize the increase in substance P in DRG. These findings suggest that caraway oil has promising therapeutic potential for managing neuropathic pain by targeting peripheral and secondary sensitization mechanisms.

Mangiferin is a herbal drug that has proven anticancer potential. Owing to its lower aqueous solubility and poor oral bioavailability, the full pharmacological potential of this bioactive drug has not fully been explored. In the present study, phospholipid-based microemulsion systems were developed to bypass oral delivery. The globule size of the developed nanocarriers was less than 150 nm and the drug entrapment was >75% with a drug loading ~25%. The developed system offered a controlled release pattern following the Fickian drug release. This enhanced mangiferin’s in vitro anticancer activity by four-fold, the cellular uptake was observed to be improved by three-fold on the MCF-7 cells. Ex vivo dermatokinetic studies showed substantial topical bioavailability with a prolonged residence time. The findings provide a simple technique to administer mangiferin via a topical route promising a safer, topically bioavailable and effective treatment option for breast cancer. Such scalable carriers with immense topical delivery potential may provide a better option for present-day topical products of a conventional nature.

Diabetes and its complications, such as delayed wound healing, are increasing at an alarming rate in India, putting an enormous strain on the country’s limited healthcare resources. Hence, the present study proposes to screen/identify the possible mechanisms and to study the effect of the flavonoid-enriched fraction of Selaginella bryopteris extract against human keratinocyte cell lines (HaCaT) and streptozocin (STZ)-induced diabetic wounds in a male Wistar rat model. Chemical profiling was performed by an MTT assay. The obtained GC–MS analysis results showed the presence of amentoflavone, gallic acid, imidazole, palmitic acid, catechine, L-fucitol, lupeol, and myo-inositol as the major bioactive phytoconstituents. S. bryopteris induces the generation of ROS, the condensation of chromatin in the nucleus, and changes in the membrane potential of mitochondria in HaCaT cell lines. An S. bryopteris-dependent induction of apoptosis-mediated cell death in HaCaT cell lines was confirmed by an AO/PI analysis. Mitochondrial depolarization was reflected in JC-1 staining of cells. The wound size was reduced and epithelialization was enhanced. Keratinocyte migration decreased interleukins, TNF-α, IL-2, and IL-6 and the expression of pro-apoptotic (p53, caspase-3, caspase-9, and Bax) and anti-apoptotic (Bcl-2) genes in a dose-dependent manner. Keratinocyte migration increased antioxidant enzyme levels (CAT, SOD, MDA, and GSH). Wound healing is facilitated through the mitochondria-mediated apoptosis pathway, revealing a new area of diabetic wound therapy.

Over the past decade, researchers have made several efforts to develop gel-based formulations that provide an alternative to traditional hydrogels and emulgel. Due to its excellent antibacterial properties, anise, the main constituent of Pimpinella anisum L., widely used in pharmaceuticals, was selected as the active ingredient in this study. Since many bacteria have developed considerable antibiotic resistance, this research aimed to develop an herbal emulgel for treating skin infections caused by bacteria. Given these obstacles, we developed and evaluated a new, cost-effective topical emulgel solution containing anise essential oil against Escherichia coli (E. coli). Anise-based emulgels, potential drug delivery platforms, have been evaluated for various parameters, including physical properties, viscosity, pH, rheology, encapsulation efficiency, and in vitro release research. The AEOs emulgel demonstrated remarkable colloidal stability, with a zeta potential of 29 mV, a size of 149.05 nm, and considerable polydispersity. The efficacy of anise-loaded emulgels as antibacterial formulations was evaluated in vitro. E. coli was used as a model microbial organism for the antibacterial study. Human keratinocytes (HaCaT) were used to examine the biocompatibility of the emulgel. Molecular docking revealed that the essential oil components of Pimpinella anisum L. possess a high affinity for the bacterial adhesin protein FimH of E. coli. These findings indicate that the developed AEOs have the potential to be analyzed using E. coli as a model organism.

A wide range of analytical techniques have been reported to determine cordycepin (CDN) in various sample matrices. Nevertheless, greener analytical approaches for CDN estimation are scarce in the literature. As a result, this study was designed to develop and validate a stability-indicating greener “high-performance thin-layer chromatography (HPTLC)” technique for CDN determination in a laboratory-developed formulation. The greener eluent system for CDN detection was ethanol–water (75:25 v/v). At a wavelength of 262 nm, CDN was measured. The greenness scale of the proposed analytical technology was derived using the “Analytical GREENness (AGREE)” approach. The proposed stability-indicating HPTLC assay was linear for CDN analysis in the 50–1000 ng/band range with a determination coefficient of 0.9978. The proposed analytical technique for CDN analysis was simple, rapid, accurate, precise, robust, selective, stability-indicating, and greener. The AGREE score for the proposed stability-indicating HPTLC technique was calculated to be 0.79 using the AGREE calculator. The current protocol was able to detect CDN degradation products under various stress conditions, indicating its stability-indication characteristics and selectivity. The AGREE quantitative score indicated that the stability-indicating current protocol had outstanding greener characteristics. The amount of CDN in the laboratory-developed formulation was determined to be 98.84%, indicating the suitability of the current protocol in the assay of CDN in the formulations. These results suggested that CDN in a laboratory-developed formulation may be regularly determined using the stability-indicating greener HPTLC strategy.

Based on the heterocyclic core of bendamustine, four series (4a–g, 5a–f, 8a–b and 9a–b) of benzimidazole derivatives were designed and synthesized starting from 4-(1H-benzo[d]imidazol-2-yl)-4-oxobutanehydrazide. In the rational design of target molecules, the benzimidazole ring of bendamustine was retained and the bis-(chloroethyl) amine group (mechlorethamine) was substituted with several biologically active scaffolds such as oxadiazole, thiadiazole, and triazolo-thiadiazines, in the hope of obtaining novel cytotoxic agents with improved efficacy and safety. Cytotoxic activities of the designed analogues were carried out at the National Cancer Institute (NCI), USA, against full NCI 60 human cell lines. Among all the tested compounds, 4f (761982/1) exhibited significant antiproliferative activity and was further screened at 10-fold dilutions of five different concentrations (0.01, 0.1, 1, 10 and 100 μM) with GI50 values ranging from 0.09 to 16.2 μM and found superior for CNS cancer cell line SNB-75 (GI50 0.09, TGI 1.39, LC50 >100 and log10GI50 −7.0, log10TGI-5.86, log10LC50 >−4.00). Docking study was also performed to provide an insight about the binding mode into binding sites of topoisomerase enzyme. Hopefully in future, compound 4f could be used as a lead compound for developing new anticancer agents. Keywords: Bendamustine, Benzimidazole, Chlorambucil, Sulforhodamine B, Human cell lines

Transposable elements (TEs) comprise a considerable proportion of insect genomic DNA; how they contribute to genome structure and organization is still poorly understood. Here, we present an analysis of the TE repertoire in the chromosome-level genome assembly of Rhus gall aphid Schlechtendalia chinensis. The TE fractions are composed of at least 32 different superfamilies and many TEs from different families were transcriptionally active in the S. chinensis genome. Furthermore, different types of transposase-derived proteins were also found in the S. chinensis genome. We also provide insight into the TEs related insertional inactivation, and exogenization of TEs in functional genes. We considered that the presence of TE fragments in the introns of functional genes could impact the activity of functional genes, and a large number of TE fragments in introns could lead to the indirect inactivation of functional genes. The present study will be beneficial in understanding the role and impact of TEs in genomic evolution of their hosts.

Innovative drug delivery systems based on iron oxide nanoparticles (INPs) has generated a lot of interest worldwide and have prime biomedical benefits in anticancer therapy. There are still issues reported regarding the stability, absorption, and toxicity of iron oxide nanoparticles (INPs) when administered due to its rapid surface oxidation and agglomeration with blood proteins. To solve this problem, we have synthesized trehalose-coated stabilized iron oxide nanoparticles (TINPs) by a co-precipitation technique. The surface coating of INPs with trehalose helps to improve the stability, prevents protein binding, and increase absorption uptake inside the body. Developed TINPs was then loaded with anticancer drug cytarabine by chemical crosslinking encapsulation method using suitable solvent. Engineered cytarabine-loaded trehalose-coated stabilized iron oxide nanoparticles (CY-TINPs) were optimized for particle size, zeta potential (−13.03 mV), and solid-state characterization such as differential scanning calorimetry (DSC), X-ray powder diffraction (XRD), and transmission electron microscope (TEM) studies. The particle size of 50 nm was achieved for developed CY-TINPs. The developed CY-TINPs was further evaluated for in vitro cell line investigations which confirmed potential cytotoxic activity. Developed CY-TINPs show remarkable enhancement in in vivo pharmacokinetic parameters Cmax as 425.26 ± 2.11 and AUC0–72 as 11,546.64 ± 139.82 as compared to pure drug. Compared to traditional drug delivery, the CY-TINPs formulation can effectively delay release, improve bioavailability, and boost cytotoxic activity against tumors.

The current research aimed to assess the Babchi oil nanoemulsion-based hydrogel prepared using biosurfactants through a low-energy emulsification process for the topical management of psoriasis. The emulsification capacity and solubilities of many nanoemulsion constituents such as surfactants, co-surfactants, and oil were considered to determine the range of concentration of the constituents. Pseudoternary phase diagrams were created using the method of titration. Nanoemulgel structure, morphology, micromeritics, conductivity, and viscosity were all optimized. The assessment of the Babchi oil nanoemulgel included particle size, polydispersity index (PDI), drug content, pH, spreadability, rheological management, ex vivo drug study, 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging ability, in vitro drug release, release kinetics, and dermatokinetics. The selected ratios of the surfactant mixture (Smix) taken were 3:1. The entrapment efficiency estimated was 91.298%. The zeta potential of Babchi oil was observed to be −24.93 mV at 25 °C with water as a dispersant, viscosity as 0.887 cP, and material absorption as 0.01 nm. The size distribution of the particle was 108 nm by the intensity and the conductivity observed was 0.03359 mS/cm. The cumulative amount of Babchi oil penetrated and fluxed by nanoemulgel was considered larger (p ≤ 0.05) than the conventional formulations. Skin retention was observed to be good with decreased lag time. The formulation followed the Higuchi Korsmeyer for Fickian Peppas model for in vitro drug release studies. The oil was most effective on the epidermal layer of the skin for treatment. It was established that the Babchi oil nanoemulgel formulation had superior permeability capabilities for topical and transdermal administration and is a viable alternative to traditional formulations.

Antimicrobial resistance (AMR) is one of the greatest threats to humanity in the world. Antibiotic-resistant bacteria spread easily in communities and hospitals. Staphylococcus aureus (S. aureus) is a serious human infectious agent with threatening broad-spectrum resistance to many commonly used antibiotics. To prevent the spread of pathogenic microorganisms, alternative strategies based on nature have been developed. Essential oils (EOs) are derived from numerous plant parts and have been described as antibacterial agents against S. aureus. Fennel essential oils were selected as antibacterial agents encapsulated in nanoparticles of polylactic acid and glycolic acid (PLGA). The optimum size of the formulation after loading with the active ingredient was 123.19 ± 6.1595 nm with a zeta potential of 0.051 ± 0.002 (23 ± 1.15 mV). The results of the encapsulation efficiency analysis showed high encapsulation of EOs, i.e., 66.4 ± 3.127. To obtain promising carrier materials for the delivery of fennel EOs, they were incorporated in the form of nanogels. The newly developed fennel oils in PLGANPs nanogels have good drug release and MIC against S. aureus. These results indicate the potential of this novel delivery system for antimicrobial therapy.

The objective of the study was to develop a transdermal nanoformulation of hesperidin (HSP) against Proteus vulgaris (P. vulgaris). Based on the low water solubility of HSP, we prepared HSP-enabled AuNPs stabilized with xanthan gum (XA), referred to as HSP@XA@AuNPs. The HSP@XA@AuNP formulation was evaluated for particle size (43.16 nm), PDI (0.565), zeta potential (−31.9 mV), and entrapment efficiency (56.7%). The HSP@XA@AuNPs gel was developed by incorporating selected formulation grades into a 1% Carbopol gel base and characterized by physical evaluation and rheological studies. The color of the HSP@XA@AuNP gel was light pink, and the texture was very smooth and non-greasy. The gel was shown to be odorless. A field emission scanning electron microscope (FESEM) was used to investigate the shape of HSP@XA@AuNPs further. The drug release was 73.08% for the HSP@XA@AuNPs and 86.26% for the HSP@XA@AuNPs gel in 500 min. The prepared gel showed antimicrobial activity against P. vulgaris with an MIC of 1.78 μg/mL. In conclusion, the HSP@XA@AuNPs gel could be an advanced modality for treating P. vulgaris.

Several analytical methods are documented for the estimation of vitamin D3 (VD3) in pharmaceuticals, food supplements, nutritional supplements, and biological samples. However, greener analytical methods for VD3 analysis are scarce in the literature. As a consequence, attempts were made to design and validate a greener “high-performance thin-layer chromatography (HPTLC)” method for VD3 estimation in commercial pharmaceutical products, as compared to the traditional HPTLC method. The greenness indices of both approaches were predicted by utilizing the “Analytical GREENness (AGREE)” method. Both traditional and greener analytical methods were linear for VD3 estimation in the 50–600 ng band−1 and 25–1200 ng band−1 ranges, respectively. The greener HPTLC strategy outperformed the traditional HPTLC strategy for VD3 estimation in terms of sensitivity, accuracy, precision, and robustness. For VD3 estimation in commercial tablets A–D, the greener analytical strategy was better in terms of VD3 assay over the traditional analytical strategy. The AGREE index of the traditional and greener analytical strategies was estimated to be 0.47 and 0.87, respectively. The AGREE analytical outcomes suggested that the greener analytical strategy had a superior greener profile to the traditional analytical strategy. The greener HPTLC strategy was regarded as superior to the traditional HPTLC methodology based on a variety of validation factors and pharmaceutical assays.

Triple-negative breast cancer is considered the most aggressive type of breast cancer among women and the lack of expressed receptors has made treatment options substantially limited. Recently, various types of nanoparticles have emerged as a therapeutic option against TNBC, to elevate the therapeutic efficacy of the existing chemotherapeutics. Among the various nanoparticles, lipid-based nanoparticles (LNPs) viz. liposomes, nanoemulsions, solid lipid nanoparticles, nanostructured lipid nanocarriers, and lipid–polymer hybrid nanoparticles are developed for cancer treatment which is well confirmed and documented. LNPs include various therapeutic advantages as compared to conventional therapy and other nanoparticles, including increased loading capacity, enhanced temporal and thermal stability, decreased therapeutic dose and associated toxicity, and limited drug resistance. In addition to these, LNPs overcome physiological barriers which provide increased accumulation of therapeutics at the target site. Extensive efforts by the scientific community could make some of the liposomal formulations the clinical reality; however, the relatively high cost, problems in scaling up the formulations, and delivery in a more targetable fashion are some of the major issues that need to be addressed. In the present review, we have compiled the state of the art about different types of LNPs with the latest advances reported for the treatment of TNBC in recent years, along with their clinical status and toxicity in detail.

A polymeric hybrid nanocomposite, namely polythiophene tin(IV)phosphate (PTh–SnP), was expediently synthesized by incorporating polythiophene (PTh) in tin phosphate (SnP) to enhance the conducting behavior and sorption of heavy metal ions by porous polymeric cation exchanger. Composite was characterized by Fourier Transform-Infra Red and Transmission Electron Microscopy. The dc electrical conductivity studies carried out on the composite, showed conductivity within the range of 4.0 × 10−2–1.0 × 10−3 S/cm−1; measured by a 4-in line-probe dc electrical conductivity measuring technique. Ion-exchange kinetics for few divalent metal ions was evaluated by particle diffusion-controlled ion-exchange phenomenon at four different temperatures. The particle diffusion mechanism is confirmed by the linear τ (dimensionless time parameter) vs t (time) plots. The exchange processes thus controlled by the diffusion within the exchanger particle for the systems studies herein. Some physical parameters like self-diffusion coefficient (D0), energy of activation (Ea) and entropy (ΔS°) have been evaluated under conditions favoring a particle diffusion-controlled mechanism. Keywords: Nanotetrapod, Hybrid, Electrically conducting, Diffusion coefficient, Ion-exchange, Kinetics

Candida spp. is one of the most causative pathogens responsible for fungal infections. It is often a hospital-acquired form of sepsis with a very high number of deaths. Currently, the most effective anti-fungal agents are based on polyenes or echinocandins. However, long-term treatments or repeated use of these anti-fungals lead to therapy limitations. Current research is urgently needed to overcome existing challenges for antimicrobials from natural sources. This study aims to determine the anti-fungal activity of rutin, which has the advantage of increasing the therapeutic value. Because of its low solubility in water and oils, rutin is limited in use. To address these constraints, we encapsulated rutin in a nanocarrier system. Silver nanoparticles (SNPs) and gum acacia (GAs) are emerging as attractive components and are widely studied as biologically safe nanomaterials/carrier systems for various drugs. Still, they are barely investigated as nano-sized vectors for the targeted delivery of rutin. In the present work, GA stabilised SNPs of rutin were successfully formulated and evaluated. It was later incorporated into carbapol 940 gels and formed SNP gels. Rutin-SNPs were developed with a consistent size in the nano range of 59.67 ± 44.24 nm in size, 0.295 ± 0.014 polydispersity index (PDI), and −11.2 ± 6.66 mV zeta potential. The drug released was found to be 81. 26 ± 4.06% in 600 min by following zero-order kinetics. The rutin-SNP gel showed considerable activity against C. albicans skin candidiasis at MIC 1.56 g/mL. The developed formulation was biocompatible. This first-ever interdisciplinary study suggests that the rutin-SNPs gel could play a vital role in drug resistance in this fungal pathogen.

The development of sodium and potassium ion batteries (SIBs/KIBs) has seen tremendous growth in recent years due to their promising properties as a potential replacement for lithium-ion batteries (LIBs). Here, we report ultrafine iron selenide (Fe3Se4) nanoparticles embedded into one-dimensional (1D) carbon fibers (Fe3Se4@CFs) as a potential candidate for SIBs/KIBs. The Fe-based metal-organic framework particles (MOFP) are used as a Fe source to obtain highly dispersed Fe3Se4 nanoparticles in the product. The Fe3Se4@CF consisted of ultrafine particles of Fe3Se4 with an average particle size of ~10 nm loaded into CFs with an average diameter of 300 nm. The product exhibited excellent specific activity of ~439 and ~435 mAh/g at the current density of 50 mA/g for SIBs and KIBs, respectively. In addition, the as-prepared anodes (Fe3Se4@CFs) exhibited excellent capacity retention up to several hundred cycles (700 cycles for SIBs and 300 cycles for KIBs). The high activity and excellent stability of the developed electrodes make Fe3Se4@CFs a promising electrode for next-generation batteries.

Monoterpenes, linalool and thymol have been widely used in not only the treatments of several diseases but also food flavouring, dental, perfumery, and toilet products. Plants of the several Lamiaceae family are good sources of linalool and thymol. A rapid, simple, and precise high-performance thin layer chromatography (HPTLC) method was developed for the concurrent estimation of linalool and thymol, and this method was orchestrated using the essential oils extracted from two Lamiaceae plants leaves i.e. O. basilicum and T. vulgaris. Two standards were separated using pre-coated thin-layer chromatography glass plates. The developed HPTLC method was validated by following ICH guidelines (linearity; limit of detection, LOD; limit of quantitation; specificity; accuracy; precision; and robustness). The calibration curves of both the compounds were linear (100–700 ng/spot), with a correlation coefficient (r2) of >999. The developed HPTLC method was effectively applied to the concurrent detection and quantification of linalool and thymol in commercial essential oils.

Immunotherapy holds great promise in overcoming the limitations of conventional regimens for cancer therapeutics. There is growing interest among researchers and clinicians to develop novel immune-strategies for cancer diagnosis and treatment with better specificity and lesser adversity. Immunomodulation-based cancer therapies are rapidly emerging as an alternative approach that employs the host’s own defense mechanisms to recognize and selectively eliminate cancerous cells. Recent advances in nanotechnology have pioneered a revolution in the field of cancer therapy. Several nanomaterials (NMs) have been utilized to surmount the challenges of conventional anti-cancer treatments like cytotoxic chemotherapy, radiation, and surgery. NMs offer a plethora of exceptional features such as a large surface area to volume ratio, effective loading, and controlled release of active drugs, tunable dimensions, and high stability. Moreover, they also possess the inherent property of interacting with living cells and altering the immune responses. However, the interaction between NMs and the immune system can give rise to unanticipated adverse reactions such as inflammation, necrosis, and hypersensitivity. Therefore, to ensure a successful and safe clinical application of immunomodulatory nanomaterials, it is imperative to acquire in-depth knowledge and a clear understanding of the complex nature of the interactions between NMs and the immune system. This review is aimed at providing an overview of the recent developments, achievements, and challenges in the application of immunomodulatory nanomaterials (iNMs) for cancer therapeutics with a focus on elucidating the mechanisms involved in the interplay between NMs and the host’s immune system.

Amidst growing technological advancements, newer denture base materials and polymerization methods have been introduced. During fabrication, certain mechanical properties are vital for the clinical longevity of the denture base. This systematic review aimed to explore the effect of newer denture base materials and/or polymerization methods on the mechanical properties of the denture base. An electronic database search of English peer-reviewed published papers was conducted using related keywords from 1 January 2011, up until 31 December 2021. This systematic review was based on guidelines proposed by the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA). The search identified 579 papers. However, the inclusion criteria recognized 22 papers for eligibility. The risk of bias was moderate in all studies except in two where it was observed as low. Heat cure polymethyl methacrylate (PMMA) and compression moulding using a water bath is still a widely used base material and polymerization technique, respectively. However, chemically modified PMMA using monomers, oligomers, copolymers and cross-linking agents may have a promising result. Although chemically modified PMMA resin might enhance the mechanical properties of denture base material, no clear inferences can be drawn about the superiority of any polymerization method other than the conventional compression moulding technique.

The current research was carried out to characterize the phytosociology of the forests of one of Pakistan’s most valuable tree species (Deodar) across its native range. In this context, our main hypothesis was that, along the altitudinal gradient, we would find different plant communities that would be driven by different environmental variables (climatic, edaphic, and physiographic). Therefore, to assess the vegetation structure of the pure Deodar forests of the unexplored Manoor Valley (Northwestern Himalaya), Pakistan, frequent field visits were carried out during different seasons of 2015–2018. Ecological methods: Line transects sampling (23 stands) and phytosociological attributes were evaluated in relation to geographical and environmental variables. Various statistical software applications (i.e., PCORD, RStudio 4.0, and R 3.6.1) were used to examine all of the gathered data of plant species and environmental variables. A total of three different plant communities (Cedrus–Isodon–Cynodon, Cedrus–Cynodon–Dryopteris, and Sambucus–Cedrus–Desmodium) were identified by grouping 162 species and 23 stands in pure Deodar forests under the influence of geographic, slope, edaphic, and climatic variables, ranging from 1580.8 to 2373.8 m. The altitude (1936–2373 m), slope angle (25–85°), sandy (29–48%) and loamy soil texture, wind speed (1.45 ms−1), and temperature (25.8 °C) all had a strong influence on the Sambucus–Cedrus–Desmodium community. In contrast with this, the Cedrus–Cynodon–Dryopteris community showed a positively significant relationship with the northeastern slope, silty (32–58%) and sandy (15.8–55%) loamy soil texture, and barometric pressure (814.3 pa). Nonetheless, the Cedrus–Isodon–Cynodon community revealed a significant positive association with the northeastern to southwestern slope, pH (6.3), wet bulb (19.7), and dew point (17.7). We found significant differences (p < 0.001) among the three communities found in the pure Deodar forests in the four diversity indexes. The Sambucus–Cedrus–Desmodium community has the maximum number of plants (129 species), Shannon’s diversity (H’ = 3.7), and Simpson’s dominance (0.98) values among the recorded communities. The Pielou’s evenness index value was led by the Cedrus–Isodon–Cynodon community (0.97). Beta diversity showed a dissimilarity lower than 50% among the three communities. Simple term effects in the canonical correspondence analysis model revealed significant (p < 0.05) differences in altitude, slope angle, slope (southeastern), and wind speed variables. The present investigation sheds light on vegetation pattern and species contribution as a function of environmental gradients and provides a baseline for future studies.

Styrene-butadiene rubber (SBR) is a synthetic polymer primarily used in the tire industry, due to its good collaborative properties with additives and fillers. In the present work, we aim to synthesize an SBR composite reinforced with graphene oxide filler to be made biodegradable. In composite preparation, we fabricated styrene-butadiene rubber/graphene oxide/collagen (SBR/GO/COL) composites by adding a biodegradable biomolecule of elastin collagen fillers at 1.5 wt% and 2.5 wt%. Those prepared SBR/GO/COL composites, along with pure SBR and SBR/GO as control samples, were characterized using advanced analysis techniques, and their biodegradability was also evaluated. From microscopy examination results, the morphology of pure SBR had been improved after the addition of GO for SBR/GO composite by revealing a compact structure with a smoother surface. As for the SBR/GO/1.5COL sample, the 1.5 wt% COL filler was found to be effectively embedded in the SBR/GO matrix. However, the 2.5 wt% COL amount led to the formation of an aggregated structure in the SBR/GO/2.5COL sample due to the unreacted interface between COL filler and SBR/GO. The porosity had also been improved for SBR/GO/1.5COL sample, imparting it with a surface area suitable for tires in the automobile industry. From elemental analysis, the presence of nitrogen was detected for the collagen-filled SBR composite, proving the successful incorporation of collagen fibrils. The physicochemical analysis also detected a trace of graphene oxide and collagen functional groups in the SBR composite. In addition, the thermal analysis revealed those collagen-filled composites had stable heat tolerance behavior, which is suitably used in extreme weather conditions. Moreover, the SBR/GO/1.5COL sample exhibited good characteristics in both mechanical and biodegradable properties. Thus, the product of SBR/GO/1.5COL could be regarded as a promising composite for green tires in the auto industry in the future.

Colorectal cancer (CRC) is the third leading cause of death in men and the fourth in women worldwide and is characterized by deranged cellular energetics. Thymoquinone, an active component from Nigella sativa, has been extensively studied against cancer, however, its role in affecting deregulated cancer metabolism is largely unknown. Further, the phosphoinositide 3-kinase (PI3K) pathway is one of the most activated pathways in cancer and its activation is central to most deregulated metabolic pathways for supporting the anabolic needs of growing cancer cells. Herein, we provide evidence that thymoquinone inhibits glycolytic metabolism (Warburg effect) in colorectal cancer cell lines. Further, we show that such an abrogation of deranged cell metabolism was due, at least in part, to the inhibition of the rate-limiting glycolytic enzyme, Hexokinase 2 (HK2), via modulating the PI3/AKT axis. While overexpression of HK2 showed that it is essential for fueling glycolytic metabolism as well as sustaining tumorigenicity, its pharmacologic and/or genetic inhibition led to a reduction in the observed effects. The results decipher HK2 mediated inhibitory effects of thymoquinone in modulating its glycolytic metabolism and antitumor effects. In conclusion, we provide evidence of metabolic perturbation by thymoquinone in CRC cells, highlighting its potential to be used/repurposed as an antimetabolite drug, though the latter needs further validation utilizing other suitable cell and/or preclinical animal models.

Schizophrenia (SCZ) is a psychotic syndrome with well-defined signs and symptoms but indecisive causes and effective treatment. Unknown underpinning reasons and no cure of the disease profoundly elevate the risk of illness. Gut microbial dysbiosis related metabolic dysfunction is providing a new angle to look at the potential causes and treatment options for schizophrenia. Because of the number of side effects, including gut dysbiosis, of traditional antipsychotic drugs, new alternative therapeutic options are under consideration. We propose that non-pharmacotherapy using biotherapeutic products could be a potent treatment to improve cognitive impairment and other symptoms of schizophrenia. Use of live microorganisms (probiotics), fibers (prebiotics), and polyphenols alone or in a mixture can maintain gut microbial diversity and improve the two-way relationship of the gut microbiota and the central nervous system. Fiber and polyphenol induced management of gut microbiota may positively influence the gut–brain axis by increasing the level of brain-derived neurotrophic factors involved in schizophrenia. Furthermore, we endorse the need for comprehensive clinical assessment and follow-up of psychobiotic (pro and prebiotics) treatment in mental illness to estimate the level of target recovery and disability reduction in schizophrenia.

Based on the core structure of Felbinac drug, three series (4a–d, 5a–d and 6a–n) of five membered heterocyclic derivatives containing three heteroatoms were designed and synthesized starting from Felbinac. In the rational design of the target molecules, the biphenyl ring along with the methylene bridge of felbinac was retained while the carboxyl group was substituted with biologically active substituents like 1,2,4-triazole, 1,3,4-thiadiazole and 1,3,4-oxadiazole, with an intent to obtain novel, better and safer anti-inflammatory agents with improved efficacy. The prepared molecules were then investigated for their anti-inflammatory, ulcerogenicity and analgesic activity in experimental animals. The tested compounds exhibited varying degrees of inflammatory activity (25.21–72.87%), analgesic activity (27.50–65.24%) and severity index on gastric mucosa in the range of 0.20–0.80 in comparison to positive control felbinac (62.44%, 68.70% and 1.5, respectively). Among all the prepared compounds, 2-(biphenyl-4-ylmethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole (6c) emerged as the most potent NSAID compound exhibiting the highest anti-inflammatory activity (72.87% inhibition) and analgesic activity (65.24%) along with the least severity index on gastric mucosa (0.20). Further, molecular docking on cyclooxygenase and in silico ADME-Toxicity prediction studies also supported the experimental biological results and indicated that 6c has a potential to serve as a drug candidate or lead compound for developing novel anti-inflammatory and analgesic therapeutic agent(s) with minimum toxicity on gastric mucosa. Keywords: Felbinac, Oxadiazole, Triazole, Thiadiazole, Anti-inflammatory, Molecular docking