Chemical Physics Impact最新文献

{"title":"Synthesis, antioxidant, antimicrobial activities and molecular modeling analysis of some 5-Nitro-N-phenyl-3-(phenylamino)-1H-indazole-1-carboxamide derivatives: Docking, SAR, toxicity and molecular dynamics analysis","authors":"Mithlesh Yadav ,&nbsp;Suraj N. Mali ,&nbsp;Bharti Sharma ,&nbsp;Haya Yasin ,&nbsp;Rohit Pal ,&nbsp;Gurubasavaraja Swamy Purawarga Matada ,&nbsp;Archana Kapoor","doi":"10.1016/j.chphi.2024.100705","DOIUrl":"10.1016/j.chphi.2024.100705","url":null,"abstract":"<div><p>This study reports the synthesis and characterization of a novel series of 5-nitro-N-phenyl-3-(phenylamino)-1<em>H</em>-indazole-1-carboxamide derivatives (<strong>5a-5v</strong>) obtained through the reaction of 3-chloro-5-nitro-N-phenyl-1<em>H</em>-indazole-1-carboxamide (<strong>4</strong>) with diverse aniline derivatives in isopropanol. The compounds underwent thorough biological evaluation encompassing antibacterial, antifungal, and in addition to antioxidant potential assessed through DPPH (IC₅₀ = 0.105-0.513 μmol/mL) and ABTS assays (IC₅₀ = 0.124-0.538 μmol/mL). Remarkably, compound <strong>5b</strong> displayed exceptional antibacterial efficacy, while compounds <strong>5k, 5p</strong>, and <strong>5q</strong> exhibited noteworthy antifungal potential. Compound <strong>5k</strong> showed the most significant antioxidant activity. Molecular docking studies unveiled robust binding interactions with target enzymes (PDB ID: <span><span>3SRG</span><svg><path></path></svg></span>), and molecular dynamics simulations indicated the stability of the most active compound at the binding site. Additionally, favourable drug-likeness and ADMET properties underscore the promising therapeutic potential of these derivatives, urging further investigations for potential clinical applications. The multifaceted activities, including antibacterial, antifungal, and antioxidant properties, make these derivatives compelling candidates for in-depth exploration in the pursuit of novel therapeutic agents.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100705"},"PeriodicalIF":3.8,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002494/pdfft?md5=2bb9bbd9a50dfc4163b625024f802cbc&pid=1-s2.0-S2667022424002494-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142049116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Registry alteration in Dynein's microtubule-binding domain: A AAA domain-guided event","authors":"Pradipta Kumar Das,&nbsp;Biman Jana","doi":"10.1016/j.chphi.2024.100702","DOIUrl":"10.1016/j.chphi.2024.100702","url":null,"abstract":"<div><p>Dynein, a motor protein, harnesses chemical energy from ATP hydrolysis to generate mechanical output as it travels along microtubular tracks. Essential to this process is the microtubule-binding domain (MTBD), which facilitates the interaction with and detachment from microtubules. Previous studies have proposed that the mechanism governing this interaction is primarily driven by the coiled-coil stalk attached to the MTBD. However, conflicting arguments suggest the presence of two-way communications, where the binding and unbinding mechanisms may also influence the nucleotide state of dynein. In this study, we employed all-atom explicit solvent simulations, enhanced sampling techniques, and coarse-grained methodologies to systematically investigate the effects of stalk and MT on the structural stabilities of different conformations of MTBD and their sequence of events during the transition from one to another. We found that the globular MTBD domain without stalk and MT predominantly resides in its weak binding configuration. Upon introduction of a limited length of stalk and interaction with MT, a balance between the strong and weak binding configurations is restored. Further introduction of the full-length stalk and interaction with MT strengthen the kinetic stability of these two configurations. We have also explored the sequence of events of the relevant transition between these two states using coarse-grained simulation protocols both in the presence and absence of interaction with MT. In the absence of MT interactions, we found a mixed conformational state of the system that corresponds to the already published crystal structure of Dynein. In the presence of MT, the conformational change of the stalk precedes the conformational change of the MTBD globular domain. Our findings support the view that the nucleotide state of the AAA+ ring determines the state of the MTBD domain through stalk, shedding light on the intricate mechanisms governing dynein's interaction with microtubules.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100702"},"PeriodicalIF":3.8,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002469/pdfft?md5=bd2af159186d0b0c29096c9e8cde6524&pid=1-s2.0-S2667022424002469-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141991395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The characteristic structural and functional dynamics of P. falciparum DHFR binding with pyrimidine chemotypes implicate malaria therapy design","authors":"Wande M. Oluyemi ,&nbsp;Goodness Nwokebu ,&nbsp;Adeniyi T. Adewumi ,&nbsp;Shadrach C. Eze ,&nbsp;Chinedu C. Mbachu ,&nbsp;Emmanuel C. Ogueli ,&nbsp;Ngozi Nwodo ,&nbsp;Mahmoud E.S. Soliman ,&nbsp;Salerwe Mosebi","doi":"10.1016/j.chphi.2024.100703","DOIUrl":"10.1016/j.chphi.2024.100703","url":null,"abstract":"<div><p>Dihydrofolate reductase (DHFR) enzyme regulates de-novo folate synthesis in <em>Plasmodium falciparum</em>, hence a critical malaria drug target. Pyrimethamine inhibits DHFR, but resistance and lack of cross-species activity are key challenges. Therefore, this study is set to investigate more potent nitrogenous heterocyclic compounds against DHFR. Docking and MD simulations were employed to gain insight into the compounds’ binding free energies and conformational stabilities, while cross-species activity was determined using sequence alignment. Among the 500 screened compounds, PMD_01 (−12.2 kcal/mol), PMD_02 (−11.1 kcal/mol), PMD_03 (−10.7 kcal/mol), and PMD_04 (−10.7 kcal/mol) have the highest binding affinities against <em>pf</em>DHFR compared to pyrimethamine (−7.9 kcal/mol). Critical amino acids for binding interactions in the active site of <em>pf</em>DHFR include Leu45, Thr107, Ile164, and Thr170. PMD-bound systems showed higher binding free energy than pyrimethamine, except PMD_03. Hydrogen bonding interactions with Gly159, Ser101, Ser104, Ser160, Ile157, and Lys48 played significant roles in the binding interaction of these compounds as opposed to Asp53 in pyrimethamine. The four systems converged around 1.90 Å RMSD and showed more stability than pyrimethamine-bound and unbound <em>pf</em>DHFR. The pocket's residues across the four plasmodia were highly conserved, but Phe116 and Ile164 replaced Met in <em>P. knowlesi</em> and Tyr in the other species. PMD_01, PMD_02, PMD_03, and PMD_04 showed promising inhibition against <em>pf</em>DHFR and are, thus, potential antimalarial agents against plasmodia DHFR homologues.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100703"},"PeriodicalIF":3.8,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002470/pdfft?md5=14bab14e343d51d9ea226bf0166f8cb4&pid=1-s2.0-S2667022424002470-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141978328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Harnessing the potency of eco-friendly calcium oxide derived from eggshells for enhanced photocatalytic activity and biocompatibility evaluation in HepG2 cell line","authors":"V. Bhuvaneshwari ,&nbsp;S. Sonia ,&nbsp;D. Sivaganesh","doi":"10.1016/j.chphi.2024.100699","DOIUrl":"10.1016/j.chphi.2024.100699","url":null,"abstract":"<div><p>Efforts towards sustainable development and pollution prevention are driving the exploration of bio-Calcium oxide (CaO) production from eggshell waste. This work investigates the thermal conversion of eggshell derived CaCO₃ into CaO. Powder X-ray diffraction and Fourier transform infrared spectroscopy confirm CaO composition, displaying a cubic structure with 2.405 Å bond length and a mid-bond electron density of 0.2298 e/ų. Electron density studies corroborate this, revealing a three-dimensional distribution and one-dimensional profile. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirms spherical CaO particles and EDAX spectra displays the presence of calcium and oxygen. UV absorption spectra reveal a 3.3 eV energy bandgap, showcasing CaO's photocatalytic potential. It demonstrates exceptional photocatalytic against congo red and methylene blue dyes, degrading them by 96.4 % and 98 %, respectively, via pseudo first-order kinetics. Additionally, CaO demonstrates promising anticancer activity against HepG2 liver cancer cells, with an IC₅₀ value of 31.2 μg/mL, positioning it as a cost-effective and potent agent for both wastewater treatment and cancer therapy.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100699"},"PeriodicalIF":3.8,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002433/pdfft?md5=92878c86a2829ee31e761f813ef4fadf&pid=1-s2.0-S2667022424002433-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens","authors":"Nasrin Akter ,&nbsp;Supriyo Saha ,&nbsp;Md. Ahad Hossain ,&nbsp;Kabir M. Uddin ,&nbsp;Ajmal R. Bhat ,&nbsp;Sumeer Ahmed ,&nbsp;Sarkar M.A. Kawsar","doi":"10.1016/j.chphi.2024.100700","DOIUrl":"10.1016/j.chphi.2024.100700","url":null,"abstract":"<div><p>Carbohydrates, among the most abundant and widespread biomolecules in nature, play indispensable roles in diverse biological functions and represent a treasure trove of untapped potential for pharmaceutical applications. From this perspective, the present study was designed to explore and evaluate the synthesis and spectral characterization of methyl α-D-glucopyranoside derivatives <strong>2-6</strong> with different aliphatic groups through comprehensive <em>in vitro</em> antimicrobial screening, physicochemical analysis, molecular docking and molecular dynamics analysis, and pharmacokinetic prediction. The unimolar one-step propionylation of methyl α-D-glucopyranoside under controlled conditions furnished 6-<em>O</em>-propionyl derivative <strong>2</strong> and the development of glucoopyranoside-based potential antimicrobial derivatives, which were further converted into four newer 2,3,4-tri-<em>O</em>-glucopyranoside derivatives (<strong>3-6</strong>) in reasonably good yields. The chemical structures of the newly synthesized analogs were ascertained by analyzing their physicochemical, elemental, FTIR, and NMR spectroscopic data. <em>In vitro</em> antimicrobial tests against five bacteria and two fungi indicated the promising antibacterial functionality of these synthesized analogs compared with their antifungal activity. Structure-activity relationship (SAR) analysis indicated that adding lauroyl&gt; stearoyl &gt; palmitoyl groups to the ribose moiety increased the potency against bacterial and fungal strains. In support of this observation, molecular docking experiments were performed on the 3TI6 H1N1 receptor and the 6VMZ H5N1 receptor. Molecular interactions with solvents were investigated in terms of FMO, HOMO-LUMO, and MEP properties. In addition, a 100 ns molecular dynamics simulation process was performed to monitor the behavior of the complex structure formed by the receptor 6VMZ under <em>in silico</em> physiological conditions to examine its stability over time, which revealed a stable conformation and binding pattern in a stimulating environment of methyl α-D-glucopyranoside derivatives. Pharmacokinetic predictions were investigated to evaluate their absorption, distribution, metabolism and toxic properties, and the combination of pharmacokinetic and drug-likeness predictions has shown promising results <em>in silico</em>.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100700"},"PeriodicalIF":3.8,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002445/pdfft?md5=90e92b828db11538a470556f460a4e37&pid=1-s2.0-S2667022424002445-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of MnWO4:Ag nanodilute magnetic semiconductors with tunable magnetic and optoelectronic properties","authors":"Sethuraman Gayathri ,&nbsp;Oriparambil Sivaraman Nirmal Ghosh ,&nbsp;Jayaramudu Jarugala ,&nbsp;Krishna Kadirvelu","doi":"10.1016/j.chphi.2024.100698","DOIUrl":"10.1016/j.chphi.2024.100698","url":null,"abstract":"<div><p>The bandgap engineered MnWO₄ nanoparticles doped with Ag were developed using a facile one-pot synthesis method. The impurity doping concentration of Ag was varied from 1 to 5 wt percentages to tune the interactions between manganese tungstate and silver ions to obtain desirable magnetic and optoelectronic properties. The structural properties of the MnWO₄ particles with various concentrations of Ag were investigated using X-ray diffraction. The optical properties of the pristine and Ag-doped MnWO₄ particles were determined using UV‒Vis and photoluminescence spectroscopy. The impurity concentration-dependent structural transformations and changes in the vibrational modes, lattice dynamics, electronic transitions and optoelectronic properties of the prepared materials were analyzed using Raman spectroscopy. The topology, morphology and elemental analysis of the synthesized nanoparticles were elucidated using HRTEM, SAED, SEM and EDX techniques. The magnetic properties of the MnWO₄:Ag nanoparticles were measured using a vibrating sample magnetometer (VSM). The obtained results suggested that Ag-doped MnWO₄ nanosystems show enhanced and tunable magnetic properties suitable for nanodilute magnetic semiconductor (nDMS) applications. The presented work opens a range of possibilities for the development of advanced materials with applications in optoelctronics, nanomedicine, energy-efficient electronic devices and energy conversion.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100698"},"PeriodicalIF":3.8,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002421/pdfft?md5=486ae6fdb027023d9102b8c6b578f8bb&pid=1-s2.0-S2667022424002421-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141952558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization and luminescence studies of Sm3+ doped LiCaBO3 phosphors for high-performance white light-emitting diodes","authors":"Manta Sharma ,&nbsp;Hritiksha Sharma ,&nbsp;Isha Charak ,&nbsp;H.C. Swart ,&nbsp;Vinay Kumar","doi":"10.1016/j.chphi.2024.100696","DOIUrl":"10.1016/j.chphi.2024.100696","url":null,"abstract":"<div><p>An undoped and a series of orange-red emitting LiCaBO₃:Sm³⁺ (<em>x</em> = 0.5–3 mol%) phosphors have been synthesized using a highly reliable and cost-effective combustion method. The synthesized phosphors were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), photoluminescence spectroscopy (PL), and Diffuse Reflectance spectroscopy (DRS). The structural studies of the LiCaBO₃:Sm³⁺phosphor confirm the single-phase orthorhombic structure with space group Pbca and the presence of borate anionic groups. Upon near-UV excitation at 405 nm, the PL emission spectra show four emission peaks centered at 564 nm, 602 nm, 650 nm, and 708 nm corresponding to the ⁴G_5/2 → ⁶H_5/2, ⁴G_5/2 → ⁶H_7/2, ⁴G_5/2 → ⁶H_9/2 and ⁴G_5/2 → ⁶H_11/2 transitions respectively resulting in the emission of orange-red light. The optimum dopant concentration of Sm³⁺ion was 1 mol% and the main mechanism of concentration quenching was calculated using Dexter's theory. The bandgap of the undoped phosphor was found to be 5.31 eV. The CIE chromaticity coordinates are (0.56, 0.40) which confirms the orange-red emission. The obtained results indicate that the synthesized phosphor can be a potential candidate for application in solid-state lighting devices.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100696"},"PeriodicalIF":3.8,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002408/pdfft?md5=e6dea800f874215b4c91e77564089bce&pid=1-s2.0-S2667022424002408-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sensing of p-nitrophenol using highly selective and sensitive Boran, Nitrogen doped quantum dots","authors":"Ravi Pratap ,&nbsp;Shriya Pandey ,&nbsp;Vipul Vishal ,&nbsp;Ishika Raghuvanshi ,&nbsp;Sunil Kumar ,&nbsp;Jayeeta Lahiri ,&nbsp;Avanish Singh Parmar","doi":"10.1016/j.chphi.2024.100697","DOIUrl":"10.1016/j.chphi.2024.100697","url":null,"abstract":"<div><p><em>p</em>-Nitrophenol (PNP) is a nitroaromatic compound that poses a significant threat to human health and the environment due to its carcinogenic, mutagenic, cytotoxic, and embryotoxic properties at low concentrations. Therefore, the selective and sensitive detection of PNP is crucial for both human health and environmental monitoring. Boron (B) and Nitrogen (N) doped quantum dots (B,NQDs) have been found to be effective as blue-green luminescent materials for this purpose. These B,NQDs were synthesized using a one-step hydrothermal method, resulting in the formation of highly stable quantum dot. The addition of trace amounts of PNP, the luminescence of the B,NQDs was significantly quenched, which was found to be linearly dependent on the PNP concentration in the range of 100pM to 6 μM. Further analysis of steady-state absorption and emission, along with photoluminescence decay dynamics, revealed the formation of both static and dynamic quenching complexes. Our simple fluorimetry-based sensor demonstrated an impressive limit of detection (LOD) of 9.08 nM, making it highly selective and sensitive for the detection of PNP. Additionally, the B,NQDs exhibited exceptional stability with respect to pH, UV exposure, salinity, and storage conditions. Finally, we successfully demonstrated the detection of PNP in real water systems and pesticides.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100697"},"PeriodicalIF":3.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266702242400241X/pdfft?md5=4d72ce2f1ec6ea64197aa4ecd8ac6d75&pid=1-s2.0-S266702242400241X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141963332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green synthesized silver and zinc doped hydroxyapatite photocatalysts to remove methylene blue and Rhodamine B dyes from industrial wastewater","authors":"T. Adhitiyan ,&nbsp;K. Dhanaraj ,&nbsp;S. Gubendhiran ,&nbsp;G. Suresh ,&nbsp;E. Thenpandiyan ,&nbsp;M. Prasath","doi":"10.1016/j.chphi.2024.100695","DOIUrl":"10.1016/j.chphi.2024.100695","url":null,"abstract":"<div><p>The present study focussed on the <em>Scallop</em> Sea shell waste utilized Hydroxyapatite and green synthesis of <em>Canna indica</em> leaf extracted Zinc (Zn) and Silver (Ag) doped Hydroxyapatite (HAp) formed by microwave irradiation method which is respectively represented as H, CIZH, and CIAH. The functional and structural characterizations (FTIR and XRD) of products confirm that the formed material was Hydroxyapatite due to the existence of characteristic absorption peaks and diffracted planes. The structural parameters such as average crystallite size, micro-strain (ε), dislocation density (δ), and particle size of the H, CIZH, and CIAH were calculated and the average Crystallite size are 42, 40, and 31nm. The morphology of the H, CIZH, and CIAH were assessed through FE-SEM and HR-TEM which could be majorly hexagonal-like (well distinct, and cluster of few rods). The EDAX spectrum and mapping confirmed the presence of chemical compositions of studied products. The anti-bacterial activities of studied products were assessed against <em>Escherichia coli</em> and <em>Staphylococcus aureus</em>, which exhibit good antibacterial activity. The photocatalytic activity of H, CIZH, and CIAH was examined against Methylene blue (MB) and Rhodamine B (RhB) dyes under UV light illumination. The degradation efficiency (%) of H, CIZH, and CIAH against MB and RhB dye were 58, 63, and 71%, and 58, 82 and 90%, respectively. A possible mechanism of the photocatalytic activity against the above-mentioned dyes is proposed. Thus, the present CIAH photocatalyst could be effective in degrading the wastewater.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100695"},"PeriodicalIF":3.8,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002391/pdfft?md5=474a9bd738dda5264d462decc9002efb&pid=1-s2.0-S2667022424002391-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141853512","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and construction of bio carbon derived Bi2Fe4O9 nanocomposites sensor for clad modified optical fiber sensors for detection of ethanol gas","authors":"K. Kokila ,&nbsp;T. Sumathi ,&nbsp;S. Kumaran ,&nbsp;A. Gnanasekar ,&nbsp;R. BoopathiRaja","doi":"10.1016/j.chphi.2024.100686","DOIUrl":"10.1016/j.chphi.2024.100686","url":null,"abstract":"<div><p>Bio carbon (BC) derived Bi₂Fe₄O₉ hybrid sensor was fabricated via sonochemical approach. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and N₂ adsorption-desorption were used to determine the structural, morphological and porosity characteristics, respectively. The materials' gas-sensing properties were evaluated using a clad-modified optical fiber sensor. The orthorhombic structure with Pbam space group of Bi₂Fe₄O₉ confirmed by the relative diffraction pattern. All sharp intense diffracted patterns might be indexed based on the standard value ((JCPDS card No. 74-1098). Both scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images illustrate those granular sheets with aggregated spherical shaped morphology of BC and Bi₂Fe₄O₉, respectively. The pristine Bi₂Fe₄O₉ exhibits Raman modes at 378 cm⁻¹ and 617 cm⁻¹, which is ascribed to the orthorhombic structure. The orthorhombic structure was already confirmed from XRD results. BFOG5 sample shows high SSA (107.5 m²/g) and pore size (38.4 nm), which is nearly 2.2 times greater than that of pristine Bi₂Fe₄O₉ (54.3 m^2/g and 23.4 nm). Fiber optic sensor was fabricated and tested for ethanol gas with various gas concentrations (0–500 ppm). The sensitivity (defined as slope of fitted line) enhanced from 14.69 (count/%) for bare Bi₂Fe₄O₉ to 33.94 (count/%) for Bi₂Fe₄O₉/BC (BFOG5). The response and recovery time was 25 s and 20 s for Bi₂Fe₄O₉/BC (BFOG5) sensor, which is higher than that of bare Bi₂Fe₄O₉ (42 s and 33 s). Our findings pave the way for a unique hybrid Bi₂Fe₄O₉/BC composite to be used in a highly sensitive C₂H₅OH gas sensor system at RT.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"9 ","pages":"Article 100686"},"PeriodicalIF":3.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002305/pdfft?md5=20f70007ebabe19c475a271b64eb1ea7&pid=1-s2.0-S2667022424002305-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141844615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}