b) 2024 - 140 Documents

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STRUCTURAL CHARACTERIZATION, DNA INTERACTION AND PHARMACOLOGICAL EVALUATION OF CU (II), CO (II), NI (II), FE (II) DIHYDRATE COMPLEXES DERIVED FROM PYRIDINE-2,5-DICARBOXYLIC ACID AND 2-METHYLIMIDAZOLE AS ORGANIC MOIETIES
(Elsevier B.V, 2024) Sudha, D; Revathi, A; Arunadevi, N; Jone Kirubavathy, S
The study of Metal organic coordination polymers is one of the most emerging areas of research in coordination chemistry because of their wide technological and interesting applications in pharmacology, sensor studies, catalysis, hydrogen storage devices, magnetic and NLO materials, ion exchange adsorption, metallic conductivity and luminescence studies. In this research work, microcrystalline transition metal [Cu (II), Co (II), Ni (II) and Fe (II)] complexes of Pyridine-2,5-dicarboxylic acid and 2-Methylimidazole as organic moieties were synthesized and analyzed for DNA interaction, biological properties like anti-cancer, anti-oxidant and anti-microbial activities. Structural characterization were studied using Fourier Transform-Infra Red spectroscopy (FT-IR), X-ray Diffractions (XRD), Ultraviolet-Visible spectroscopy (UV–VIS), Field Emission Scanning Electron Microscopy (FE-SEM), Energy-Dispersive X-Ray analysis (EDX), Cyclic voltammetry (CV) and Thermo Gravimetric Analysis (TG-DTA). The copper complex demonstrates superior biological activity compared to alternative complexes, exhibiting antioxidant, antibacterial, and anticancer properties. From cytotoxicity results, it's evident that complexes (1–4) possess the capability to inhibit tumor cell growth while sparing normal cells, attributed to the metal atoms' strong affinity for cancer cells.
ANTIBACTERIAL AND ANTICANCER ACTIVITY (PANC-1) OF GREEN SYNTHESIZED COPPER OXIDE NANOPARTICLES FROM CATHARANTHUS ROSEUS
(Taylor and Francis Ltd, 2024) Karthika, S; Kanchana, P; Prabha Devi, B; Shanmuga Sundari, S
Copper oxide nanoparticle was biosynthesized using the petals of Catharanthus roseus, and it was found to exhibit anticancer activity in a human pancreatic cell line (PANC-1). The obtained nanoparticles were characterized using XRD, FTIR, FESEM, and TEM techniques. XRD confirms the coexistence of CuO and Cu2O nanoparticles with an average grain size of 15 nm. FTIR spectra possess bands that indicate the formation of copper oxide nanoparticles. FESEM and TEM show spherical shape morphology with an average particle size of 19.6 nm to 32.6 nm. The synthesized copper oxide nanoparticles were tested for antibacterial activity, and the gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa showed a better zone of inhibition than standard streptomycin. The copper oxide nanoparticle was tested for anticancer activity in the PANC-1 line, and the results confirm that cells undergo cell shrinkage in the cytoplasm, which suggested the cytotoxic behavior. The viability of cells was evaluated by an inverted phase contrast microscope followed by the MTT assay method.
SYNTHESIS, STRUCTURAL, CHEMOSENSOR AND MOLECULAR DOCKING STUDIES OF NOVEL IMINO TRIPHENOL FROM AMMONIUM ACETATE AND SALICYLALDEHYDE
(Elsevier B.V, 2024) Suvarnna, K; Vennapu, R Dushyanth; Sanjeev, B; Enoch, I.V.M.V.; Kirubavathy S, Jone
Novel Tris-iminophenol namely, 2-((z-((e)-2-hydroxybenzylideneamino) (2-hydroxyphenyl) methyl-imino) methyl) phenol was synthesized by reacting ammonium acetate and salicylaldehyde at 0 °C and characterized using various spectral techniques like singe crystal XRD, FT-IR, UV–Visible spectroscopy. Single crystal XRD shows the system to be monoclinic space group C12/c1 with the unit cell dimensions a = 16.965(3) Å, b = 12.2652(19) Å, c = 18.092(3) Å and β=112.455(2) Å. The molecular docking studies of the synthesized compound prove to have good ADMET properties and the antimicrobial studies shows its excellent activity against E. Coli. The electronic absorption and fluorescence response studied shows that the phenolic compound has great affinity towards Fe2+ ion.
COMPUTATIONAL STUDY ON ALKALI AND ALKALINE EARTH METAL DECORATED B20 CLUSTER FOR HYDROGEN STORAGE APPLICATION
(Springer Link, 2024) Parimala devi, Duraisamy; Prince Makarios Paul, S; Praveena, Gopalan; Abiram, Angamuthu
The potential of B20 cluster decorated with alkali metals (AM = Li, Na, and K) and alkaline earth metals (AEM = Ca, Mg, and Be) to adsorb hydrogen molecules is investigated using density functional theory (DFT). The Bader’s topological parameters suggest the presence of non-bonded interaction between the bare structures and H2 molecules. Global reactivity descriptor values confirm that the structures remain stable even after the adsorption of H2 molecules. The results indicate that Na adorned B20 (B20Na2) can store up to 12H2 molecules, with a hydrogen storage capacity of 8.33 wt% and an average adsorption energy is 0.127 eV/H2. The findings suggest that B20 cluster decorated with AM and AEM have the ability to be a promising hydrogen storage material. Additionally, to gain insights into the adsorption and desorption behaviors of H2 molecules, ADMP molecular dynamics simulations methods were performed at room temperatures.
IN-SILICO MOLECULAR DOCKING, ADMET AND DFT EVALUATION OF PIPERIDIN-4-ONE FUROIC HYDRAZONE DERIVATIVES AS ANTIMICROBIAL, ANTIOXIDANT AND ANTICANCER AGENTS
(Springer Link, 2024) Monisha, Sivanandhan; Umamatheswari, Seeman; Amutha, Parasuraman
A series of N'-(2,6-diarylpiperidin-4-ylidene)furan-2-carbohydrazide were synthesized by incorporating hydrazide group in piperidine moiety and characterized by IR, 1H, 13C NMR and Mass spectral techniques. The synthesized carbohydrazones were validated for their antioxidant, anticancer and antimicrobial studies. Compounds 6c and 6d with methoxy substituents disclosed better free radical scavenging activity than the other substituents. On the other hand, compounds bearing chloro substituents 6b, 6e and 6f exhibited enhanced activity in anticancer and antimicrobial assessments. To validate the experimental results, molecular docking simulations were carried out and the findings demonstrated minimum binding energy for compound 6b against the target protein 3E47. The In-silico ADMET profile evidenced optimal oral bioavailability data for these compounds. The molecular structure of 6b was evaluated by DFT calculations in B3LYP/6–31 + G(d,p) basis set, optimized parameters like dihedral angle, bond angle and bond length were calculated. To further comprehend the reactive sites of 6b, the HOMO–LUMO energy gap, molecular electrostatic potential and Mulliken charges were scrutinized. According to experimental and theoretical investigations, compound 6b displayed promising anticancer efficacy against the human cervical cancer HeLa cell line.
AN ASSESSMENT OF METAL ABSORPTION COMPETENCE OF INDIGENOUS METAL TOLERANT BACTERIAL SPECIES- AN IN-VITRO STUDY
(Elsevier, 2024) Anusha, P; Natarajan, D; Sumathy, Rengarajan; Saleh, Alfarraj; Sabariswaran, Kandasamy
Heavy metals pose a serious global threat to the environment. Hence, removing hazardous metals from soil samples has become complicated over the past few years. The current work looked into the remediation of heavy metals from aqueous solutions using a bacterial community and a unique bacterium obtained from metal-contaminated soil. In this investigation, the isolates of Bacillus anthracis A1-7, Bacillus. thuringiensis A1-3, Bacillus. cereus A1-5, and Pseudomonas aeruginosa A-33 actively demonstrated metal tolerances to various tested metals. Furthermore, an in-vitro biosorption study was performed under ideal concentration. The bacterial consortia achieved the highest biosorption effectiveness for Cu & Zn, 92.7% and 90.3%, respectively. When compared with a single bacterium, the group exhibited inferior Pb biosorption (86%). Since then, P. aeruginosa A33 has had the highest Pb biosorption. Finally, a bacterial consortium has devised an intriguing strategy for eliminating Cu and Pb from the polluted medium. P. aeruginosa A33 was found to be a mighty microbe that extracts Zn from polluted water. This metal-tolerant bacterium also exhibited specific proportions of selective commercially available antibiotics, which were analyzed using the Multiple Antibiotic Resistance (MAR) Index. In conclusion, these findings indicated that bacterial consortia composed of four bacterial isolates can remove metals from a metal-polluted medium.
BOOTSTRAPPING OF FINE-TUNED SEGMENTATION AND CLASSIFICATION NETWORK FOR EPIDERMIS DISORDER CATEGORIZATION
(Springer Link, 2024) Kalaivani, A; Karpagavalli, S
As all people have been affected by various skin related illnesses, categorization of skin disorders has become prominent in recent healthcare system. To identify and categorize skin related syndromes, many transfer learning frameworks were used. Amongst, a Fine-tuned Segmentation and Classification Network (F-SegClassNet) achieved better efficacy by using the novel unified loss function. Nonetheless, it was not apt for the datasets that lack in training images. Hence in this article, Bootstrapping of F-SegClassNet (BF-SegClassNet) model is proposed which solves the imbalanced images in the training set via generating the group of pseudo balanced training batches relying on the properties of the considered skin image dataset. This model fits the distinct abilities of Deep Convolutional Neural Network (DCNN) classifier so that it is highly useful for classifying the skin disorder image dataset with a highly imbalanced image data distribution. According to the Bootstrpping, better tradeoff between simple and complex image samples is realized to make a network model that is suitable for automatic skin disorders classification. In this model, statistics across the complete training set is calculated and a new subset is produced that retains the most essential image samples. So, the skin images are segmented and categorized by this new model to identify the varieties of epidermis infections. At last, the testing outcomes exhibits BF-SegClassNet-model accomplishes the mean accuracy with 96.14% for HAM dataset which is compared to state-of-the-art models.
THE COMPREHENSIVE REVIEW ON 3D PRINTING- PHARMACEUTICAL DRUG DELIVERY AND PERSONALIZED FOOD AND NUTRITION
(Elsevier Ltd, 2024) Meenakshi, Murugan; Selva Kumar, Ramasamy; Geetha, Venkatesan; Jintae, Lee; Selvaraj, Barathi; Sabariswaran, Kandasamy; Prakash Kumar, Sarangi
Three-dimensional printing is one of the emerging technologies that is gaining interest from the pharmaceutical industry as it provides an opportunity to customize drugs according to each patient's needs. Combining different active pharmaceutical ingredients, using different geometries, and providing sustained release enhances the effectiveness of medicine. One of the most innovative uses of 3D printing is producing fabrics, medical devices, medical implants, orthoses, and prostheses. This review summarizes the various 3D printing techniques such as stereolithography, inkjet printing, thermal inkjet printing, fused deposition modelling, extrusion printing, semi-solid extrusion printing, selective laser sintering, and hot-melt extrusion. Also, discusses the drug relies profile and its mechanisms, characteristics, and applications of the most common types of 3D printed API formulations and its recent development. Here, Authors also, summarizes the central flow of 3D food printing process and knowledge extension toward personalized nutrition.
CONTROLLABILITY OF IMPULSIVE FRACTIONAL DAMPED INTEGRODIFFERENTIAL SYSTEMS WITH DISTRIBUTED DELAYS
(Springer Science and Business Media Deutschland GmbH, 2024) Arthi, G; Sivasangari, R
This paper focuses on controllability results for impulsive fractional distributed delay systems with damping behavior, involving the Caputo fractional derivative (CFD) for both linear and integro-differential systems. For linear systems, controllability results are established through the controllability Grammian matrix and employing a control function. Sufficient conditions for the controllability of nonlinear systems are derived using the Schauder fixed point theorem. An example is provided to illustrate the theory.
NON-INVASIVE MEASUREMENT OF SPOILAGE OF PACKED FISH USING HALOCHROMIC SENSOR
(Emerald Publishing, 2024) Devarayan, Kesavan; Palanisamy, Yazhiniyan; Mohan, Gangeswar; Theivasigamani, Anand; Kandasamy, Sabariswaran; Sekar, Vimaladevi; Siluvai John, Evon Umesh; Sukumaran, Monikandon; Marimuthu, Ramar; Anjappan, Hema
Purpose: This study aims to develop a pH-functional thin-film sensor for non-invasive measurement of spoilage of packed fish. Design/methodology/approach: At first, polymers of natural origin such as hydroxy(propyl)methyl cellulose, potato dextrose agar and starch alongside a pH sensitive-mixed indicator formulation were used to produce thin film sensor. The developed thin film sensor was tested for monitoring the spoilage of seafood stored at 4°C. Using ultraviolet-visible and Fourier-transform infrared spectroscopy, the halochromic sensor was characterised. In addition, the halochromic response of the thin film was directly correlated to the total volatile base nitrogen emitted by the packaged fish, pH, microbial activity and sensory evaluation. Findings: The results suggested the developed biopolymer-based thin film sensor showed different colours in line with the spoilage of the packed fish, which could be well correlated with the total volatile base nitrogen, microbial activity and sensory evaluation. In addition, the thin film sensors exhibited a high degree of biodegradability. The biopolymers-based thin film halochromic sensor has exhibited excellent biodegradability along with sensitiveness towards the spoilage of the packed fish. Originality/value: In the future, consumers and retailers may prefer seafood containers equipped with such halochromic sensors to determine the degree of food deterioration as a direct indicator of food quality.
A NEW HYBRID ADAPTIVE OPTIMIZATION ALGORITHM BASED WAVELET NEURAL NETWORK FOR SEVERITY LEVEL PREDICTION FOR LUNG CANCER DATASET
(Intelligent Network and Systems Society, 2024) Divya, T; Gripsy J, Viji
This study proposes three contributions focused on lung cancer detection and severity level identification. The absence of non-invasive technologies for predicting lung cancer necessitates faster, more efficient, and more accurate classification procedures due to the absence of non-invasive technologies for predicting lung cancer. Creating an automated and intelligent prediction system is crucial for identifying phases and predicting the possibility of a recurrence. The objective is to create an automated detection system for identifying lung cancer using an optimizationfocused deep learning model. We develop an adaptive multi-swarm PSO and combine it with the firefly algorithm to determine the ideal weight values for the Wavelet Neural Network (WNN) model. We use the HAPSO-FFA-WNN method to explore problems with multiple optimal solutions. This study evaluated two lung cancer datasets, and the proposed HAPSO-FFA-WNN model achieved 97.58% accuracy for dataset 1 and 98.54% accuracy for dataset 2. Furthermore, the proposed model achieved better precision, recall, and MCC performance metrics.
EXPLORING CUTTING-EDGE ADVANCES IN GREEN AMMONIA PRODUCTION AND STORAGE TECHNOLOGIES
(Elsevier, 2024) Prakash Kumar, Sarangi; Rajesh K, Srivastava; Gitanjali, J; Govindasamy, Sathiyan; Geetha, Venkatesan; Sabariswaran, Kandasamy
Green ammonia’s exceptional qualities, such as its high energy density, ease of handling, and robust transportation and storage infrastructure, position it as a leading choice for long-term energy storage and carbon-free fuel applications. This review comprehensively explores material-based methods for producing, storing, and utilizing green ammonia, emphasizing key findings with specific quantitative data on energy density, costs, and efficiencies. The critical need for efficient and sustainable ammonia production is emphasized due to its central role in reducing greenhouse gas emissions and facilitating the transition to a low-carbon economy. Various material-based approaches and catalysts, including innovative reactor designs and electrochemical processes, are meticulously examined. Furthermore, the review delves into safe and efficient storage methods for green ammonia, particularly exploring the potential of solid-state materials to regulate ammonia adsorption and release. Addressing challenges such as safety concerns and system integration is crucial for realizing the full potential of green ammonia storage solutions. Moreover, the economic benefits of green ammonia in chemical manufacturing, fertilizer production, and power generation underscore its multifaceted advantages across industries. Ultimately, this analysis highlights green ammonia’s role as a versatile and sustainable energy carrier, essential for driving towards a greener future.
FORECASTING SILVER PRICES: A UNIVARIATE ARIMA APPROACH AND A PROPOSED MODEL FOR FUTURE DIRECTION
(Springer Science and Business Media Deutschland GmbH, 2024) Bagrecha, Chaya; Singh, Kuldeep; Sharma, Geeti; Saranya, P B
The purpose of this study is to comprehensively examine and anticipate future silver prices in the Indian context. Given silver’s historical importance as a valuable material over 6000 years, this research sought to determine the intricate price movements impacted by a multitude of factors. While the research acknowledges the complexity of these patterns, its main goal is to shed light on the major reasons behind silver price changes. The Autoregressive Integrated Moving Average (ARIMA) was used in the study. Based on data stationarity, this model carefully integrates Auto regression and Moving Average components. The research process is divided into four separate phases: identification, estimation, diagnostics, and forecasting, which are all carried out using the ARIMA (p, d, q) model. The ARIMA model identified and explained around 26% of the observed silver price changes. This implies that there are more relevant elements than those addressed in the model. The research emphasizes the diverse character of silver price factors and emphasizes the need for a more comprehensive understanding. This study contributes to the area through the introduction of a suggested conceptual framework that incorporates Google trend analytics and an extensive literature review. This novel methodology is intended to study the main factors that influence silver prices and their complicated interrelationships. This study contributes to the evolving discussion on silver price analysis and predictions by providing the groundwork for further studies in this area.
IMPACT OF SELECT COMPANIES FROM INFORMATION TECHNOLOGY SECTORAL INDICES
(Springer Science and Business Media Deutschland GmbH, 2024) Lekha Shree, S; Amudha, A; Baby, M K; Bharathi K, Dhivya
Performance on the stock market as a whole is thought to reflect a country’s financial and economic condition. The market for shares is a crucial component of the financial system and a catalyst for industrial growth. Since share prices are extremely sensitive to changes in the economic and political arenas, they serve as a window into how a nation’s economy is doing. Additionally, company investment as well as economic expansion may be directly impacted by stock market volatility. With the rise in F.I.I investment, the two main issues of return and volatility have taken on greater significance for Indian Investors, regulators, brokers, policymakers, dealers, and researchers. Analyzing how Sectoral listings influence the pricing of certain companies is one of the study’s main goals. The data utilized throughout this probe are secondary. The current research is centered on industrialization and Sectoral analysis. The researcher examined the stock returns and the effects of certain firms from the NSE Sectoral Indices using a variety of statistical methodologies. From the standpoint of an investor, these research results might prove highly beneficial for assisting them in deciding what type of derivative to buy in particular those with a wider range and yield greater financial success.
OPTIMIZED ENERGY EFFICIENT- HIERARCHICAL CLUSTERING BASED ROUTING (OEE-HCR) FOR WIRELESS SENSOR NETWORK (WSN)
(European Alliance for Innovation, 2024) Reena G, Sophia; Nithya, S
The study into Wireless Sensor Network (WSN) has grown more crucial as a result of the many Internet of Things (IoT) applications. Energy – Harvesting (EH) technology can extend the lifespan of WSN; however, because the nodes would be difficult to get to during energy harvesting, an energy-efficient routing protocol should be developed. The use of clustering in this study balances energy consumption across all Sensor Node (SN) and reduces traffic and overhead throughout the data transmission phases of WSN. Cluster Head (CH) selection step of the Optimized Energy Efficient-Hierarchical Clustering Based Routing (OEE-HCR) technique involves sending data to the closest CH. In order to analyse and transmit each cluster data, CH will need to use more energy, which will hasten and asymmetrically deplete the network. Whale Optimization Algorithm (WOA) algorithm is introduced for the best number of clusters formation with dynamicallyselecting the CH. Experimentation analysis, results are measured using First Node Dead (FND), the Half Node Dead (HND), Last Node Dead (LND), and Maximum Lifetime Coverage (MLC) at the time of number of data transmission rounds performed in routing algorithms
ROLE OF SI AND SIO2 IN OPTOELECTRONIC DEVICE FABRICATION
(Elsevier B.V, 2024) Harshita, Rai; Kshitij RB, Singh; Shyam S, Pandey; Natarajan, Arunadevi
Silicon and its oxide deliver a dextrous way for engineering the successors of optoelectronic/photonic devices, by integrating fabrication techniques with heterostructured material possessing tuneable properties. Besides comprehensive knowledge, a collection of functional materials with device fabrication should be amplified. In general, silicon-based allied compounds can co-form with other materials like polymers, nanometal oxides, and organic/inorganic hybrid materials to deliver multiple electronic characteristics. A noteworthy and excellent performance of Si and its oxide secures a prominent position in the realm of the optoelectronics field. This study deliberates an exhaustive overview of advances in fabrication strategies, characteristics, Si/SiO2-based optoelectronic devices, and new materials used in this field. Additionally, this investigation spotlights the potential of Si/SiO2 in accentuating diverse applications like light-emitting diodes, solar cells, photodiodes, and phototransistors. In brief, this article will expose novel pathways of research and peregrination in this mushrooming field.
REFINING TALENT MANAGEMENT: NAVIGATING EMPLOYEE PERFORMANCE THROUGH ORGANIZATIONAL COMMITMENT
(Springer Science and Business Media Deutschland GmbH, 2024) Mythili, D; Saranya, V; Akalya, V; Ranganayaki, C; Mathiyarasan, M
In today's global landscape, marked by intense competition, innovation, and creativity emerge as pivotal corporate strategies to excel and elevate oneself in this knowledge-driven economy. Within this context, human resources stand out as the most valuable and indispensable asset, playing a crucial role in the smooth and effective functioning of organizations. The success of any enterprise hinges on the commitment, hard work, and loyalty of its employees, making talent the primary driving force behind organizational triumphs. Consequently, effective workforce management becomes paramount for organizations seeking to thrive in the modern economic climate. For HR managers, the task of identifying, recruiting, selecting, and retaining competent individuals tailored to their specific industrial needs poses a significant challenge. This paper is dedicated to providing insights into how talent management strategies, particularly within the Information Technology sector, contribute to an organization's competitive advantage.
PROLIFERATING OPTOELECTRONIC PROPERTIES OF DOPED ZNO NANOPARTICLES
(Elsevier, 2024) Sharmila, Chandran; Arthi Priscilla, Ganesan; Nidhi, Asthana; Shyam S, Pandey; Kshitij RB, Singh; Arunadevi, Natarajan
Ag-doped ZnO nanocomposites were synthesized precisely by adopting a wet chemical method to explore their optoelectronic characteristics for LED applications. Characterization studies have progressed for substantiation of its structural, and functional characteristics in conjugation with the optical properties of nanocomposites before and after doping. The metal-oxygen bonding was affirmed from IR spectra and excitation characteristics were detailed from UV–visible absorption spectra. The SEM images along with Energy dispersive X-ray analysis deliberates hexagonal morphology for pure ZnO which was surprisingly reformed into poly hexagon structures after doping with silver ions. The pertinence of the target material for LED application was verified by performing photoluminescence and charge density measurements. The doping of silver ions into ZnO presents a novel avenue in the field of optronics and serves as appropriate phosphors for light-emitting diodes. The application of the title compound was established by providing nano coating to LED bulb and emission efficiencies was recorded before and after coating. The present research recommends a unique method of nanocoating of LED bulb for efficient light intensity.
HETEROSTRUCTURE OF REDUCED GRAPHENE OXIDE SUPPORTED TIN (IV) SULFIDE NANOPETALS AS AN ANODE MATERIAL FOR SODIUM/POTASSIUM-ION BATTERIES: EVIDENCE FOR THE FORMATION OF C-S BOND
(2024) Nithya, C; Dhanushree, S; Indu, Elizabeth; Kriti, Tyagi; Bavya, P
Anodes that engage in conversion as well as alloying reactions are highly attractive candidates for sodium/potassium-ion batteries (SIBs and PIBs) because of their high theoretical specific capacities. Herein, Tin sulphide@reduced graphene oxide (SnS2 nanopetal@rGO) composite material is investigated as an advanced anode material for SIBs and PIBs. In this work, a simple hydrothermal synthesis of ultrathin SnS2 nanopetals covalently decorated on the surface of rGO is demonstrated as an anode material for SIBs and PIBs. The as prepared SnS2@rGO displays an initial charge capacity of 749 (at 0.2 A g−1) and 852 mAh g−1 (at 0.1 A g−1) for SIBs and PIBs respectively. The SnS2@rGO hybrid exhibited excellent cycle life which is attributed to the introduction of rGO in the composite as well as the in-built formed C-S bond. Moreover, the rGO matrix, firmly anchored with C–S bonds, envelops the outer SnS2, effectively inhibiting direct contact between SnS2 and the electrolyte. These combined effects contribute to impede the irreversible conversion of sulfur to sulfite, thus ensuring excellent structural stability throughout electrochemical cycling. The well-engineered nanoarchitecture not only guarantees the fast electrode kinetics, but also confirms excellent pseudo capacitance contribution during repetitive cycles which is confirmed by kinetic studies. Thus, SnS2@rGO is found to be a most promising electrode for sodium/potassium-ion batteries.
IN-SILICO MOLECULAR DOCKING AND ADMET PREDICTIONS OF PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE ANALOGUES AS PROMISING ANTIMICROBIAL, ANTIOXIDANT AND ANTICANCER AGENTS
(Taylor and Francis Ltd., 2024) Monisha, Sivanandhan; Amutha, Parasuraman
Pyridopyrimidine are heterocyclic molecules enclosing fused pyridine and pyrimidine rings. Owing to its fascinating core structure and pharmacological applications a series of 7-([1,1′-biphenyl]-4-yl)-5-arylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones were synthesized and characterized using IR, 1H, 13C NMR and Mass spectral techniques. The antibacterial, antioxidant and anticancer activities were investigated for the synthesized compound 5a-5f. Compounds with electron-donating groups showed excellent free radical scavenging activity. Halogen-substituted compounds showed more potent antimicrobial and anticancer activity than other derivatives in comparison with their respective standards. Based on the IC50 value obtained from anticancer activity, 5c was further analyzed for apoptosis by AO/EB staining method. The findings suggested early apoptosis in the MCF-7 cell line. Molecular Docking studies of the synthesized compounds were performed with Kinase 1 inhibitors (PDB id: 2YEX), 5c exposed good docking results with minimum binding energy. Further, these compounds were acknowledged as orally active drug candidates from in-silico ADMET studies. Computational analysis supports biological findings indicating compound 5c as a promising anticancer agent against the human breast cancer MCF-7 cell line.