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1.
Nanotechnology ; 35(36)2024 Jun 21.
Article in English | MEDLINE | ID: mdl-38904452

ABSTRACT

Copper/Cuprous oxide/Carbon nanoparticles decorated MXene composite was prepared and subsequently examined for its potential application as a non-enzymatic glucose sensor. To carry out this, initially the Cu MOF/MXene composite was synthesised by the hydrothermal method and was annealed in an unreacted environment at different time intervals. During this process, petal like Cu MOF on MXene loses the organic ligands to form a Cu/Cu2O/C based nanoparticles on MXene. Further, an electrode was fabricated with the developed material for understanding the sensing performance by cyclic voltammetry and chronoamperometry in 0.1 M NaOH solution. Results reveal that the highest weight percentage of copper oxide in the composite (15 min of annealed material) shows a higher electro catalytic activity for sensing glucose molecules due to more active sites with good electron transfer ability in the composite. The formed composite exhibits a wide linear range of 0.001-26.5 mM, with a sensitivity of 762.53µAmM-1cm-2(0.001-10.1 mM), and 397.18µAmM-1cm-2(11.2-26.9 mM) and the limit of detection was 0.103µM. In addition to this, the prepared electrode shows a good reusability, repeatability, selectivity with other interferences, stability (93.65% after 30 days of storage), and feasibility of measuring glucose in real samples. This finding reveals that the metal oxide derived from MOF based nanoparticle on the MXene surface will promote the use of non-enzymatic glucose sensors.


Subject(s)
Copper , Electrodes , Glucose , Nanoparticles , Copper/chemistry , Glucose/analysis , Nanoparticles/chemistry , Biosensing Techniques/methods , Biosensing Techniques/instrumentation , Carbon/chemistry , Electrochemical Techniques/methods , Limit of Detection
2.
Nanoscale ; 16(27): 13121-13130, 2024 Jul 11.
Article in English | MEDLINE | ID: mdl-38912535

ABSTRACT

In the current study, polyaniline (PANI) modified two-dimensional Ti3C2Tx MXene composites (PANI-Ti3C2Tx) are exploited as photocathodes in dye-sensitized solar cells (DSSCs). The study revealed that incorporating PANI into Ti3C2Tx improved the material's electrochemical properties, owing to the presence of amino groups in PANI that enhanced the material's electrical conductivity and thereby facilitated more rapid ion transport. In addition, PANI enhanced the surface wettability of Ti3C2Tx, resulting in an increase in the number of electroactive sites. The presence of PANI molecules in the interlayer and on the surface of Ti3C2Tx was confirmed through X-ray diffraction (XRD), scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDX), and X-ray photoelectron spectroscopy (XPS). Subsequently, electrochemical analysis of the PANI-Ti3C2Tx photocathode or counter electrode (CE) revealed a commendable electrocatalytic activity with the iodide/triiodide electrolyte, a favourable charge transfer kinetics, and a charge transfer resistance as low as platinum. Additionally, at AM 1.5G, the performance of the DSSC constructed using the thermally decomposed Pt-CE was 8.3% when subjected to simulated 1 sun light, whereas the efficiency of the DSSC constructed using the as-prepared composite material was 6.9% under corresponding conditions. PANI-Ti3C2Tx as the photocathode (CE) in a DSSC showed a higher power conversion efficiency (PCE) improvement than PANI CE and Ti3C2Tx CE DSSCs, emphasizing its potent catalytic activity and quick mass transport of electron capability. By capitalizing on the conductivity and electrocatalytic property of the two components, the as-fabricated PANI-Ti3C2Tx photocathode significantly increased the overall PCE of DSSCs. Furthermore, the DSSC utilizing the PANI-Ti3C2Tx CE demonstrated exceptional reproducibility and stability. This underscores its consistently high performance and significant resistance to corrosion in the iodide/triiodide redox electrolyte environment. Overall, these findings show that the PANI-Ti3C2Tx composite has the potential to be a competitive alternative to platinum-based CE materials for the development of DSSCs with exceptional performance.

3.
Materials (Basel) ; 17(7)2024 Mar 22.
Article in English | MEDLINE | ID: mdl-38611966

ABSTRACT

This article describes an affordable method for the synthesis of MnMoO4 nanoflowers through the microwave synthesis approach. By manipulating the reaction parameters like solvent, pH, microwave power, and irradiation duration along this pathway, various nanostructures can be acquired. The synthesized nanoflowers were analyzed by using a powder X-ray diffractometer (XRD), field emission scanning electron microscopy (FE-SEM) with energy dispersive X-ray spectroscopy (EDS), Fourier transform infrared spectroscopy (FT-IR), and UV-vis diffuse reflectance spectroscopy (UV-DRS) to determine their crystalline nature, morphological and functional group, and optical properties, respectively. X-ray photoelectron spectroscopy (XPS) was performed for the examination of elemental composition and chemical states by qualitative and quantitative analysis. The results of the investigations demonstrated that the MnMoO4 nanostructures with good crystallinity and distinct shape were formed successfully. The synthesized MnMoO4 nanoflowers were tested for their efficiency as a photocatalyst in the degradation studies of methylene blue (MB) as model organic contaminants in an aqueous medium under visible light, which showed their photocatalytic activity with a degradation of 85%. Through the band position calculations using the electronegative value of MnMoO4, the photocatalytic mechanism of the nanostructures was proposed. The results indicated that the effective charge separation, and transfer mechanisms, in addition to the flower-like shape, were responsible for the photocatalytic performance. The stability of the recovered photocatalyst was examined through its recyclability in the degradation of MB. Leveraging MnMoO4's photocatalytic properties, future studies may focus on scaling up these processes for practical and large-scale environmental remediation.

4.
Environ Geochem Health ; 46(3): 108, 2024 Mar 07.
Article in English | MEDLINE | ID: mdl-38453774

ABSTRACT

Accumulation of polycyclic aromatic hydrocarbons (PAH) poses significant dangers to the environment and human health. The advancement of technology for cleaning up PAH-contaminated environments is receiving more attention. Adsorption is the preferred and most favorable approach for cleaning up sediments polluted with PAH. Due to their affordability and environmental friendliness, carbonaceous adsorbents (CAs) have been regarded as promising for adsorbing PAH. However, adsorbent qualities, environmental features, and factors may all significantly impact how well CAs remove PAH. According to growing data, CAs, most of which come from laboratory tests, may be utilized to decontaminate PAH in aquatic setups. However, their full potential has not yet been established, especially concerning field applications. This review aims to concisely summarize recent developments in CA, PAH stabilization processes, and essential field application-controlling variables. This review analysis emphasizes activated carbon, biochar, Graphene, carbon nanotubes, and carbon-nanomaterials composite since these CAs are most often utilized as adsorbents for PAH in aquatic systems.


Subject(s)
Nanostructures , Nanotubes, Carbon , Polycyclic Aromatic Hydrocarbons , Humans , Adsorption
5.
Environ Res ; 250: 118503, 2024 Jun 01.
Article in English | MEDLINE | ID: mdl-38367840

ABSTRACT

Existing fossil-based commercial products present a significant threat to the depletion of global natural resources and the conservation of the natural environment. Also, the ongoing generation of waste is giving rise to challenges in waste management. Conventional practices for the management of waste, for instance, incineration and landfilling, emit gases that contribute to global warming. Additionally, the need for energy is escalating rapidly due to the growing populace and industrialization. To address this escalating desire in a sustainable manner, access to clean and renewable sources of energy is imperative for long-term development of mankind. These interrelated challenges can be effectively tackled through the scientific application of biowaste-to-bioenergy technologies. The current article states an overview of the strategies and current status of these technologies, including anaerobic digestion, transesterification, photobiological hydrogen production, and alcoholic fermentation which are utilized to convert diverse biowastes such as agricultural and forest residues, animal waste, and municipal waste into bioenergy forms like bioelectricity, biodiesel, bio alcohol, and biogas. The successful implementation of these technologies requires the collaborative efforts of government, stakeholders, researchers, and scientists to enhance their practicability and widespread adoption.


Subject(s)
Biofuels , Waste Management/methods , Conservation of Natural Resources/methods , Sustainable Development
6.
Environ Res ; 250: 118513, 2024 Jun 01.
Article in English | MEDLINE | ID: mdl-38368918

ABSTRACT

Carbon dots (CDs) are an emerging type of carbon nanomaterial with strong biocompatibility, distinct chemical and physical properties, and low toxicity. CDs may emit fluorescence in the ultraviolet (UV) to near-infrared (NIR) range, which renders them beneficial for biomedical applications. CDs are usually made from carbon precursors and can be synthesized using top-down and bottom-up methods and it can be easily functionalized using different methods. For specific cases of biomedical applications carbon dot functionalization augments the materials' characteristics. Novel functionalization techniques are still being investigated. This review will look at the benefits of functionalization to attain a high yield and various biological applications. Biomedical applications such as photodynamic and photothermal therapy, biosensing, bioimaging, and antiviral and antibacterial properties will be covered in this review. The future applications of green synthesized carbon dots will be determined in part by this review.


Subject(s)
Carbon , Carbon/chemistry , Sustainable Development , Quantum Dots/chemistry , Green Chemistry Technology/methods
7.
J Biomol Struct Dyn ; : 1-15, 2024 Feb 09.
Article in English | MEDLINE | ID: mdl-38334124

ABSTRACT

Diabetes mellitus (DM) is a multifactorial life-threatening endocrine disease characterized by abnormalities in glucose metabolism. It is a chronic metabolic disease that involves multiple enzymes such as α-amylase and α-glucosidases. Inhibition of these enzymes has been identified as a promising method for managing diabetes, and researchers are currently focusing on discovering novel α-amylase and α-glucosidase inhibitors for diabetes therapy. Hence, we have selected 12 bioactive compounds from the Momordica charantia (MC) plant and performed a virtual screening and molecular dynamics investigation to identify natural inhibitors of α-amylase and α-glucosidases. Our in silico result revealed that phytocompound Rutin showed the highest binding affinity against α-amylase (1HNY) enzymes at (-11.68 kcal/mol), followed by Karaviloside II (-9.39), Momordicoside F (-9.19), Campesterol (-9.11. While docking against α-glucosidases (4J5T), Rutin again showed the greatest binding affinity (-11.93 kcal/mol), followed by Momordicine (-9.89), and Campesterol (-8.99). Molecular dynamics (MD) simulation research is currently the gold standard for drug design and discovery. Consequently, we conducted simulations of 100 nanoseconds (ns) to assess the stability of protein-ligand complexes based on parameters like RMSD, RMSF, RG, PCA, and FEL. The significance of our findings indicates that rutin from MC might serve as an effective natural therapeutic agent for diabetes management due to its strongest binding affinities with α-amylase and α-glucosidase enzymes. Further research in animals and humans is essential to validate the efficacy of these drug molecules.Communicated by Ramaswamy H. Sarma.

8.
ACS Omega ; 9(7): 8448-8456, 2024 Feb 20.
Article in English | MEDLINE | ID: mdl-38405472

ABSTRACT

This work explores the use of MXene-embedded porous carbon-based Cu2O nanocomposite (Cu2O/M/AC) as a sensing material for the electrochemical sensing of glucose. The composite was prepared using the coprecipitation method and further analyzed for its morphological and structural characteristics. The highly porous scaffold of activated (porous) carbon facilitated the incorporation of MXene and copper oxide inside the pores and also acted as a medium for charge transfer. In the Cu2O/M/AC composite, MXene and Cu2O influence the sensing parameters, which were confirmed using electrochemical techniques such as cyclic voltammetry, electrochemical impedance spectroscopy, and amperometric analysis. The prepared composite shows two sets of linear ranges for glucose with a limit of detection (LOD) of 1.96 µM. The linear range was found to be 0.004 to 13.3 mM and 15.3 to 28.4 mM, with sensitivity values of 430.3 and 240.5 µA mM-1 cm-2, respectively. These materials suggest that the prepared Cu2O/M/AC nanocomposite can be utilized as a sensing material for non-enzymatic glucose sensors.

9.
ACS Appl Bio Mater ; 7(2): 752-777, 2024 02 19.
Article in English | MEDLINE | ID: mdl-38271214

ABSTRACT

Recent developments in nanoscale materials have found extensive use in various fields, especially in the biomedical industry. Several substantial obstacles must be overcome, particularly those related to nanostructured materials in biomedicine, before they can be used in therapeutic applications. Significant concerns in biomedicine include biological processes, adaptability, toxic effects, and nano-biointerfacial properties. Biomedical researchers have difficulty choosing suitable materials for drug carriers, cancer treatment, and antiviral uses. Carbon nanomaterials are among the various nanoparticle forms that are continually receiving interest for biomedical applications. They are suitable materials owing to their distinctive physical and chemical properties, such as electrical, high-temperature, mechanical, and optical diversification. An individualized, controlled, dependable, low-carcinogenic, target-specific drug delivery system can diagnose and treat infections in biomedical applications. The variety of carbon materials at the nanoscale is remarkable. Allotropes and other forms of the same element, carbon, are represented in nanoscale dimensions. These show promise for a wide range of applications. Carbon nanostructured materials with exceptional mechanical, electrical, and thermal properties include graphene and carbon nanotubes. They can potentially revolutionize industries, including electronics, energy, and medicine. Ongoing investigation and expansion efforts continue to unlock possibilities for these materials, making them a key player in shaping the future of advanced technology. Carbon nanostructured materials explore the potential positive effects of reducing the greenhouse effect. The current state of nanostructured materials in the biomedical sector is covered in this review, along with their synthesis techniques and potential uses.


Subject(s)
Nanoparticles , Nanostructures , Nanotubes, Carbon , Nanotubes, Carbon/chemistry , Nanostructures/therapeutic use , Nanostructures/chemistry , Drug Delivery Systems/methods , Drug Carriers
10.
Phys Chem Chem Phys ; 26(5): 4262-4277, 2024 Jan 31.
Article in English | MEDLINE | ID: mdl-38230683

ABSTRACT

The optimised designs of dimethyl ammonium cobalt formate-based perovskite crystals [(CH3)2NH2]Co(HCOO)3 were experimentally synthesized and computationally utilized as absorbers for perovskite solar cells (PSCs). Crystals were grown using solvothermal synthesis. Additive materials (Fe, Ni) are responsible for the growth and suppression of crystals in the micrometre range. Temperature and pressure were altered to obtain optimum growth conditions. Grown crystals were characterized by spectroscopy (XRD, FT-IR, UV-Vis) and optical microscopy. Combined density functional theory (DFT) and drift-diffusion modelling frameworks were simulated. These simulators were used to examine various perovskite absorbers for solar-cell configurations. Field calculations were used to examine the structural stability, band structure, and electronic contribution of the constituent elements in [(CH3)2NH2]Co1-nMn(HCOO)3 (M = Fe, Ni and n = 0, 0.1) as absorber material. Conventional TiO2 and spiro-OMeTAD were used as the electron-transport layer and hole-transport layer, respectively, and Pt was used as a back contact. Comprehensive analysis of the effects of several parameters (layer thickness, series and shunt resistances, temperature, generation-recombination rates, current-voltage density, quantum efficiency) was carried out using simulation. Our proposed strategy may pave the way for further design of new absorber materials for PSCs.

11.
ACS Omega ; 9(1): 828-836, 2024 Jan 09.
Article in English | MEDLINE | ID: mdl-38222534

ABSTRACT

The impact of electron beam radiation on the blend of linear low-density polyethylene (LLDPE) and polydimethylsiloxane (PDMS) rubber at different doses from 50 to 300 kGy has been investigated. The irradiated sheets were examined for their morphology, gel content, thermal stability, melt behavior, and electrical and dielectric properties. The radiation treatment has reduced both the melting point and crystallinity of base polymers and their blends because of chain scission. As observed, 100 kGy doses of irradiated blend and 3 wt % of loaded nanosilica composite showed comparatively good thermal stability. The phase morphology of the LLDPE: PDMS rubber blend showed a honeycomb-like design before irradiation because of two-stage morphology, which prominently changed into a solitary stage after electron beam irradiation. This is because of intermolecular cross-link arrangement inside the singular parts, just like cross-linking development at the interface. From the AQFESEM study, it is observed that the stacking of nanosilica particles within the blend matrix is greatly reduced after electron beam irradiation. The addition of nanosilica within the blend increased the electrical conductivity and dielectric permittivity. The dielectric breakdown strength has been observed to be the highest for 3 wt % loaded nanocomposite and its irradiated sample. The result indicates that the nanocomposite can be utilized for high-voltage cable applications in indoor and outdoor fields.

12.
Chemosphere ; 346: 140410, 2024 Jan.
Article in English | MEDLINE | ID: mdl-37898467

ABSTRACT

Enhancing the solar-physical conversion efficacy ability of the nanomaterials is an essential for real-time implementation. We report the enhanced solar-physical efficiency of the BiFeO3 nanospheres via Gd3+ doping and Au nanoparticles decoration. Initially, we have obtained the Bi1-xGdxFeO3 nanospheres were attained via a simple solvothermal technique and then citrate reduction of Au was conducted. Obtained perovskite BiFeO systems were studied for the Gd3+ doping, crystalline phase and elemental purity using the XRD and XPS techniques. Transmission electron microscope had revealed the ∼400 nm sized BiFeO3 nanospheres. Optical absorption spectrum revealed the enhanced visible photon absorption occurring in BiFeO3 for both Gd3+ doping and Au decoration. The bandgap values of pristine, 1%, 3% and 5% Gd3+ doped in BiFeO3 are 2.2 eV, 2.19 eV, 2.17 eV and 2.12 eV, respectively. Conducted photoluminescence revealed the dual electron trapping occurring in BiFeO3 via Gd3+ ions and Au nanoparticles. LED light assisted 72% of piezo-photocatalytic degradation efficiency of Tetracycline is achieved with Bi0 95Fe0 05O3/Au, whereas the photo catalytic is only 65% and piezo catalytic efficiency is 58%. In recyclable studies the Bi0.95Gd0.05FeO3/Au had shown the consistent piezo-photocatalytic efficiency for 3 reaction cycles. Further, fabricated DSSC studies revealed that near 30 % enhanced solar photovoltaic efficiency for Bi0 95Fe0 05O3/Au (η = 6.5%) solar cells on par to the pristine BiFeO3 (η = 5.02%).


Subject(s)
Metal Nanoparticles , Nanospheres , Gold , Calcium Compounds
13.
Chemosphere ; 350: 141015, 2024 Feb.
Article in English | MEDLINE | ID: mdl-38154676

ABSTRACT

Piezo-photocatalysis of ZnO nanostructures had recently well attracted due to their exceptional potential in degrading the antibiotics and scalable hydrogen production. Here, we have synthesized the Ce3+ doped ZnO nanospheres in a facile wet chemical strategy. Dopant ions induced morphological evolution and optical bandgap tuning had observed in our experiment. Optical absorbance spectrum had confirmed the bandgap shortening occurs with Ce3+ doped ZnO specimens. The bandgap gap value had reduced to 2.82 eV from 3.05eV confirming the visible light responsivity of ZnO nano specimens. Obtained Zn(1-x)CexO nanospheres were utilized to fabricate the p-Si/n- Zn(1-x)CexO heterojunction diodes as well studied the improved electrical conductivity for the Ce3+ specimen-based diodes. Besides, ideality factor and barrier height values of the heterojunction diodes ZnO/p-Si, Zn0.99Ce0.01O/p-Si, Zn0.97Ce0.03O/p-Si, and Zn0.95Ce0.05O/p-Si are 15.97 & 0.43 eV, 15.47 & 0.44 eV, 8.02 & 0.46 eV and 5.21 & 0.47 eV, respectively. Direct sunlight assisted piezo-photocatalytic tetracycline (TC) degradation efficiency of ZnO, Zn0.99Ce0.01O, Zn0.97Ce0.03O, and Zn0.95Ce0.05O nanostructures respectively are 64%, 69%, 74% and 82%. We have produced the hydrogen quantity of 1234 µ mol h-1, 1490 µ mol h-1, 1750 µ mol h-1 and 1980 µ mol h-1 with 0%, 1%, 3% and 5% Ce3+ doped ZnO specimens under the direct sunlight assisted piezo-photocatalytic H2 production from H2S splitting.


Subject(s)
Nanostructures , Zinc Oxide , Zinc Oxide/chemistry , Nanostructures/chemistry , Light , Sunlight
14.
Plant Physiol Biochem ; 206: 108261, 2024 Jan.
Article in English | MEDLINE | ID: mdl-38096734

ABSTRACT

The rapid advancement of nanotechnology has led to unprecedented innovations; however, it is crucial to analyze its environmental impacts carefully. This review thoroughly examines the complex relationship between plants and nanomaterials, highlighting their significant impact on ecological sustainability and ecosystem well-being. This study investigated the response of plants to nano-pollution stress, revealing the complex regulation of defense-related genes and proteins, and highlighting the sophisticated defense mechanisms in nature. Phytohormones play a crucial role in the complex molecular communication network that regulates plant responses to exposure to nanomaterials. The interaction between plants and nano-pollution influences plants' complex defense strategies. This reveals the interconnectedness of systems of nature. Nevertheless, these findings have implications beyond the plant domain. The incorporation of hyperaccumulator plants into pollution mitigation strategies has the potential to create more environmentally sustainable urban landscapes and improve overall environmental resilience. By utilizing these exceptional plants, we can create a future in which cities serve as centers of both innovation and ecological balance. Further investigation is necessary to explore the long-term presence of nanoparticles in the environment, their ability to induce genetic changes in plants over multiple generations, and their overall impact on ecosystems. In conclusion, this review summarizes significant scientific discoveries with broad implications beyond the confines of laboratories. This highlights the importance of understanding the interactions between plants and nanomaterials within the wider scope of environmental health. By considering these insights, we initiated a path towards the responsible utilization of nanomaterials, environmentally friendly management of pollution, and interdisciplinary exploration. We have the responsibility to balance scientific advancement and environmental preservation to create a sustainable future that combines nature's wisdom with human innovation.


Subject(s)
Nanoparticles , Nanostructures , Humans , Ecosystem , Environmental Pollution , Environment , Plants/metabolism
15.
Environ Res ; 244: 117888, 2024 Mar 01.
Article in English | MEDLINE | ID: mdl-38097060

ABSTRACT

In the face of escalating environmental concerns, particularly the pervasive issue of non-biodegradable fast-food packaging waste, this study introduces a ground-breaking solution that not only addresses waste management but also advances biomedical technology. Utilizing the underexploited resource of Fucoidan, a sulfated polysaccharide from brown algae, we have innovatively transformed fast-food packaging waste into eco-friendly fluorescent carbon dots (FPCDs). These FPCDs were meticulously characterized through advanced techniques like FT-IR, TEM, and XRD, shedding light on their unique structure, morphology, and composition. A significant discovery of this study is the potent antimicrobial properties of these FPCDs, which demonstrate remarkable effectiveness against specific bacterial and fungal strains. This opens new avenues in the realm of biomedical applications, including imaging, drug delivery, and biosensing. Furthermore, extensive toxicity assessments, including the Brine shrimp lethality assay and Adult Artemia toxicity tests, underscore the safety of these nanoparticles, bolstering their applicability in sensitive medical scenarios. Our research presents a compelling dual approach, ingeniously tackling environmental sustainability issues by repurposing waste while simultaneously creating valuable materials for biomedical use. This dual benefit underscores the transformative potential of our approach, setting a precedent in both waste management and medical innovation.


Subject(s)
Anti-Infective Agents , Food Packaging , Food Loss and Waste , Carbon , Spectroscopy, Fourier Transform Infrared , Anti-Infective Agents/toxicity
16.
Prog Biophys Mol Biol ; 185: 17-32, 2023 Dec.
Article in English | MEDLINE | ID: mdl-37821048

ABSTRACT

The convergence of biology and computational science has ushered in a revolutionary era, revolutionizing our understanding of biological systems and providing novel solutions to global problems. The field of genetic engineering has facilitated the manipulation of genetic codes, thus providing opportunities for the advancement of innovative disease therapies and environmental enhancements. The emergence of bio-molecular simulation represents a significant advancement in this particular field, as it offers the ability to gain microscopic insights into molecular-level biological processes over extended periods. Biomolecular simulation plays a crucial role in advancing our comprehension of organismal mechanisms by establishing connections between molecular structures, interactions, and biological functions. The field of computational biology has demonstrated its significance in deciphering intricate biological enigmas through the utilization of mathematical models and algorithms. The process of decoding the human genome has resulted in the advancement of therapies for a wide range of genetic disorders, while the simulation of biological systems contributes to the identification of novel pharmaceutical compounds. The potential of biomolecular simulation and computational biology is vast and limitless. As the exploration of the underlying principles that govern living organisms progresses, the potential impact of this understanding on cancer treatment, environmental restoration, and other domains is anticipated to be transformative. This review examines the notable advancements achieved in the field of computational biology, emphasizing its potential to revolutionize the comprehension and enhancement of biological systems.


Subject(s)
Computational Biology , Models, Biological , Humans , Computational Biology/methods , Computer Simulation , Models, Theoretical , Genetic Engineering
17.
J Biomol Struct Dyn ; : 1-14, 2023 Aug 03.
Article in English | MEDLINE | ID: mdl-37534448

ABSTRACT

According to worldwide health data, cancer, and inflammatory illnesses are on the rise and are among the most common causes of death. Across the world, these types of health problems are now considered top priorities for government health organizations. Hence, this study aimed to investigate medicinal plants' potential for treating cancer and inflammatory disorders. This network pharmacology analysis aims to learn more about the potential targets and mechanisms of action for the bioactive ingredients in Sauropus androgynus (L.) Merr L. The compound-target network and protein-protein interaction analysis were built using the STRING database. Using Network Analyst, Gene Ontology, and Kyoto Encyclopaedia of Genes and Genomes, pathway enrichment was performed on the hub genes. 1-hexadecanol was shown to inhibit drug-metabolizing enzymes in a pharmacokinetic investigation. Those samples of 1-hexadecanol were found to be 1-hexadecanol (BBB 0.783), GI High, Pgp Substrate Yes, CYP2C19 Inhibitor Yes, CYP2D6 Yes, and HI -89.803. The intermolecular binding energies for 1-hexadecanol (4-DRI, -8.2 kcal/mol) are evaluated. These results from a study on S. androgynus used molecular docking and network pharmacology to gain insight into the prime target genes and potential mechanisms identified for AKT1, mTOR, AR, PPID, FKBP5, and NR3C1. The PI3K-Akt signalling pathway has become an important regulatory node in various pathological processes requiring coordinated actions. Stability and favourable conformations have been resolved by considering nonbonding interactions such as electrostatic and hydrogen bonds in MD simulations of the perfect molecules using the Desmond package. Thus, using an appropriate platform of network pharmacology, molecular docking, and in vitro experiments, this study provides for the first time a clearer knowledge of the anti-cancer and anti-inflammatory molecular bioactivities of S. androgynus. Further in vitro and in vivo confirmations are strongly needed to determine the efficacy and therapeutic effects of 1-hexadecanol in the biological process.Communicated by Ramaswamy H. Sarma.

18.
Front Bioeng Biotechnol ; 11: 1211143, 2023.
Article in English | MEDLINE | ID: mdl-37397968

ABSTRACT

Purpose: In the contemporary era, a significant number of individuals encounter various health issues, including digestive system ailments, even during their advanced years. The major purpose of this study is based on certain observations that are made in internal digestive systems in order to prevent severe cause that usually occurs in elderly people. Approach: To solve the purpose of the proposed method the proposed system is introduced with advanced features and parametric monitoring system that are based on wireless sensor setups. The parametric monitoring system is integrated with neural network where certain control actions are taken to prevent gastrointestinal activities at reduced data loss. Results: The outcome of the combined process is examined based on four different cases that is designed based on analytical model where control parameters and weight establishments are also determined. As the internal digestive system is monitored the data loss that is present with wireless sensor network must be reduced and proposed approach prevents such data loss with an optimized value of 1.39%. Conclusion: Parametric cases were conducted to evaluate the efficacy of neural networks. The findings indicate a significantly higher effectiveness rate of approximately 68% when compared to the control cases.

19.
Environ Res ; 236(Pt 1): 116710, 2023 Nov 01.
Article in English | MEDLINE | ID: mdl-37479212

ABSTRACT

The abstract highlights the development of an electroanalytical sensor for the detection of 2-phenylphenol (2-PPL) as a contaminant. The novelty of the experiment lies in the utilization of a 1-D nanostructured WO3/CuO nanocomposite integrated with a carbon paste electrode (CPE). The hydrothermal method was used to synthesize the WO3 NPs, which were then characterized using Scanning electron microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDS) techniques. Tungsten oxides (WO3) have been the subject of extensive study because of their many desirable characteristics, including their ease of preparation, tunable stoichiometry, crystal structure, particle morphology, 2.6 eV bandgap, excellent photocatalytic oxidation capacity, non-toxic nature, and widespread availability. The narrow band gap in CuO makes it an ideal sensing material. Copper oxide has applications in many different industries because it is a semiconductor metal with a narrow band gap in the spectrum of 1.2-1.9 eV and unique optical, electrical, and magnetic properties. Techniques like cyclic voltammetry (CV), and square wave voltammetry (SWV) were used. Real sample analysis was carried out in real-world samples like different types of soil, vegetables, and water. The electroanalytical sensor showed outstanding catalytic behavior by enhancing the peak current of the 2-phenylphenol with the potential shift to the less positive side compared to the unmodified carbon paste electrode in the presence of pH 7.0 phosphate buffer solution (PB). Throughout the experimental study, double distilled was used. Various electro-kinetic parameters like pH, accumulation time study, scan rate, concentration variation, standard heterogeneous rate constant, and participation of electrons, accumulation time, and transfer coefficient have been studied at WO3/CuO/CPE. The limit of detection was quantified together with the limit of quantification. Possible electrochemical oxidation mechanism of the toxic molecule was depicted. Overall, this research contributes to the field of electroanalytical sensing and offers potential applications in environmental monitoring.

20.
Environ Res ; 234: 116523, 2023 10 01.
Article in English | MEDLINE | ID: mdl-37422115

ABSTRACT

Plastic is now considered part and parcel of daily life due to its extensive usage. Microplastic (MP) pollution is becoming a growing worry and has been ranked as the second most critical scientific problem in the realm of ecology and the environment. Microplastics are smaller in size than the plastic and are more harmful to biotic and as well as abiotic environments. The toxicity of microplastic depends upon its shape and size and increases with an increase in its adsorption capacity and their toxicity. The reason behind their harmful nature is their small size and their large surface area-to-volume ratio. Microplastic can get inside fruits, vegetables, seeds, roots, culms, and leaves. Hence microplastic enters into the food chain. There are different entry points for microplastic to enter into the food chain. Such sources can include polluted food, beverages, spices, plastic toys, and household (packing, cooking, etc.). The concentration of microplastic in terrestrial environments is increasing day by day. Microplastic causes the destruction of soil structure; destroys soil microbiota, cause depletion of nutrients in the soil, and their absorption by plants decreases plant growth. Apart from other environmental problems caused by microplastic, human health is also badly affected by microplastic pollution present in the terrestrial environment. The presence of microplastics in the human body has been confirmed. Microplastic enters into the body of humans in different possible ways. According to their way of entering the body, microplastics cause different diseases in humans. MPs also cause negative effects on the human endocrine system. At the ecosystem level, the impacts of microplastic are interconnected and can disrupt ecological processes. Although recently different papers have been published on several aspects of the microplastic present in the terrestrial environment but there is no complete overview that focus on the interrelationship of MPs in plants, and soil and their effect on higher animals like a human. This review provides a completely detailed overview of existing knowledge about sources, occurrences, transport, and effects of microplastic on the food chain and soil quality and their ecotoxicological effects on plants and humans.


Subject(s)
Microplastics , Water Pollutants, Chemical , Animals , Humans , Microplastics/toxicity , Plastics/toxicity , Ecosystem , Environmental Pollution , Soil , Plants , Environmental Monitoring , Water Pollutants, Chemical/analysis
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