Ravindran Muthukumarasamy, M. Bin, Nisa Nur, Absarina Binti, Rosli Nurul, Syazwani Binti, Kamaruddin Mohammad Danish, M. Luqman, Bin Nisa, Nur Absarina, Binti Rosli, N. Syazwani, Binti Kamaruddin, M. Danish, A. Mahmad, M. M. Ibrahim, Shahnaz Majeed, Muhammad L.B. Nisa, N. Rosli, Nurul S.B. Kamaruddin, A. Mahmad, M. Nasir
Abstract The study conducted biosynthesis of copper oxide nanoparticles using an aqueous extract of Aspergillus niger and in-vestigated their potential biomedical applications. The nanoparticles were characterized using various techniques in-cluding UV-Vis, SEM, TEM, and EDX, revealing their spherical to crystalline shape with sizes ranging from 21 nm to 48 nm. The nanoparticles demonstrated notable antimicrobial activity against Staphylococcus aureus with a zone of 8 mm and Escherichia coli recorded high synergistic activity with 20.93%, as well as antioxidant properties. Furthermore, selective cytotoxicity towards breast cancer cells was observed with an IC50 of 107.81 ug/ml and an IC50 of 250.93 ug/ml on normal cells, suggesting their potential use as an anticancer agent and for targeted drug delivery.
{"title":"Elucidation of antibacterial, synergistic, antioxidant, and anticancer activities of green synthesized copper oxide nanoparticles against human breast cancer cells","authors":"Ravindran Muthukumarasamy, M. Bin, Nisa Nur, Absarina Binti, Rosli Nurul, Syazwani Binti, Kamaruddin Mohammad Danish, M. Luqman, Bin Nisa, Nur Absarina, Binti Rosli, N. Syazwani, Binti Kamaruddin, M. Danish, A. Mahmad, M. M. Ibrahim, Shahnaz Majeed, Muhammad L.B. Nisa, N. Rosli, Nurul S.B. Kamaruddin, A. Mahmad, M. Nasir","doi":"10.33640/2405-609x.3305","DOIUrl":"https://doi.org/10.33640/2405-609x.3305","url":null,"abstract":"Abstract The study conducted biosynthesis of copper oxide nanoparticles using an aqueous extract of Aspergillus niger and in-vestigated their potential biomedical applications. The nanoparticles were characterized using various techniques in-cluding UV-Vis, SEM, TEM, and EDX, revealing their spherical to crystalline shape with sizes ranging from 21 nm to 48 nm. The nanoparticles demonstrated notable antimicrobial activity against Staphylococcus aureus with a zone of 8 mm and Escherichia coli recorded high synergistic activity with 20.93%, as well as antioxidant properties. Furthermore, selective cytotoxicity towards breast cancer cells was observed with an IC50 of 107.81 ug/ml and an IC50 of 250.93 ug/ml on normal cells, suggesting their potential use as an anticancer agent and for targeted drug delivery.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48961302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. H. Widyananda, S. Pratama, A. Ansori, Y. Antonius, V. D. Kharisma, Ahmad Affan Ali Murtadlo, V. Jakhmola, Maksim Rebezov, M. Khayrullin, Marina Derkho, Emdad Ullah, R. J. Susilo, S. Hayaza, A. Nugraha, Annise Proboningrat, Amaq Fadholly, M. Sibero, Rahadian Zainul
Abstract Quercetin, a natural compound present in various fruits and vegetables, shows promise as a potential inhibitor for glioblastoma multiforme (GBM) development. This study aims to examine the anti-GBM potential of Quercetin. The protein target of Quercetin is identified and analyzed using databases such as NCBI, SEA, CTD, and STRING. Protein-protein interaction (PPI) and functional annotation are carried out based on the obtained target proteins. Molecular docking and dynamics simulations are employed using AutoDock Vina and WebGro tools to analyze the interaction between Quercetin and its target proteins. The prediction of protein targets reveals that Quercetin directly targets four proteins associated with GBM. In conclusion, Quercetin demonstrates potential as an anti-GBM agent, specifically by targeting
{"title":"Quercetin as an anticancer candidate for glioblastoma multiforme by targeting AKT1, MMP9, ABCB1, and VEGFA: An in silico study","authors":"M. H. Widyananda, S. Pratama, A. Ansori, Y. Antonius, V. D. Kharisma, Ahmad Affan Ali Murtadlo, V. Jakhmola, Maksim Rebezov, M. Khayrullin, Marina Derkho, Emdad Ullah, R. J. Susilo, S. Hayaza, A. Nugraha, Annise Proboningrat, Amaq Fadholly, M. Sibero, Rahadian Zainul","doi":"10.33640/2405-609x.3312","DOIUrl":"https://doi.org/10.33640/2405-609x.3312","url":null,"abstract":"Abstract Quercetin, a natural compound present in various fruits and vegetables, shows promise as a potential inhibitor for glioblastoma multiforme (GBM) development. This study aims to examine the anti-GBM potential of Quercetin. The protein target of Quercetin is identified and analyzed using databases such as NCBI, SEA, CTD, and STRING. Protein-protein interaction (PPI) and functional annotation are carried out based on the obtained target proteins. Molecular docking and dynamics simulations are employed using AutoDock Vina and WebGro tools to analyze the interaction between Quercetin and its target proteins. The prediction of protein targets reveals that Quercetin directly targets four proteins associated with GBM. In conclusion, Quercetin demonstrates potential as an anti-GBM agent, specifically by targeting","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48422103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Uday E Jallod, Lana T. Ali, H. Mahdi, Kamal M. Abood
Abstract Radio observations from astronomical sources like supernovae became one the most important sources of information about the physical properties of those objects. However, such radio observations are affected by various types of noise such as those from sky, background, receiver, and the system itself. Therefore, it is essential to eliminate or reduce these undesired noise from the signals in order to ensure accurate measurements and analysis of radio observations. One of the most commonly used methods for reducing the noise is to use a noise calibrator. In this study, the 3-m Baghdad University Radio Telescope (BURT) has been used to observe crab nebula with and without using a calibration unit in order to investigate its impact on the signal. Radio observations of crab nebula have been carried out for different periods in 2022. Several parameters of the telescope have been calculated and analyzed using statistical measurements with and without using the noise calibration unit. Those parameters are receiver gain, system temperature, antenna temperature, and degree per flux unit. The results of this research revealed that the fluctuation sensitivity of BURT improved by about an order of magnitude, when the noise calibration unit is used. The root mean square error and the radiometer equation of the antenna temperature decreased to less than 33% and 10%, respectively in comparison to their initial values. In conclusion, the noise calibration unit plays a crucial role to improve the sensitivity of a radio telescope drastically.
{"title":"Improving the BURT’s Sensitivity using Noise Calibration Unit via Crab Nebula Observations","authors":"Uday E Jallod, Lana T. Ali, H. Mahdi, Kamal M. Abood","doi":"10.33640/2405-609x.3306","DOIUrl":"https://doi.org/10.33640/2405-609x.3306","url":null,"abstract":"Abstract Radio observations from astronomical sources like supernovae became one the most important sources of information about the physical properties of those objects. However, such radio observations are affected by various types of noise such as those from sky, background, receiver, and the system itself. Therefore, it is essential to eliminate or reduce these undesired noise from the signals in order to ensure accurate measurements and analysis of radio observations. One of the most commonly used methods for reducing the noise is to use a noise calibrator. In this study, the 3-m Baghdad University Radio Telescope (BURT) has been used to observe crab nebula with and without using a calibration unit in order to investigate its impact on the signal. Radio observations of crab nebula have been carried out for different periods in 2022. Several parameters of the telescope have been calculated and analyzed using statistical measurements with and without using the noise calibration unit. Those parameters are receiver gain, system temperature, antenna temperature, and degree per flux unit. The results of this research revealed that the fluctuation sensitivity of BURT improved by about an order of magnitude, when the noise calibration unit is used. The root mean square error and the radiometer equation of the antenna temperature decreased to less than 33% and 10%, respectively in comparison to their initial values. In conclusion, the noise calibration unit plays a crucial role to improve the sensitivity of a radio telescope drastically.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45288200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Danilaev, Safaa.M.R.H. Hussein, Elena Bobina, S. Karandashov, V. Kuklin, Mikhail Klabu-kov, H. Le, Ekaterina Mironskaya, G. Yakovleva, O. Ilinskaya
Abstract To maintain performance of polymer composite materials (PCM) in tropical climate, it is necessary and relevant to deal with biodegradation among other factors. Increasing strength and improvement of biodegradation resistance of polymer composites simultaneously is a critical practical challenge. State-of-the-art methods of polymer composites production do not provide a possibility to address both issues at the same time. In this study, it is the first time when a method to increase strength of ED-20 epoxy-based polymer composite and improve its biodegradation resistance simultaneously is applied. In this study, the authors applied for the first time polylactide-capsulated copper oxide particles to improve biocidal and mechanical performance of ED-20 epoxy-based polymer composite. It was established that composite filled with capsulated particles has better resistance to micromycete-induced damage compared to the one filled with non-capsulated particles. Reduction of surface area affected by micromycetes isolated from samples exposed to tropical conditions was demonstrated for the composite that contained capsulated particles. The paper highlights that prevalence of Aspergillus niger is based on the high productivity of organic acids. It was found that elasticity moduli of polymer composite samples do not have significant differences. The average elasticity modulus of PCM samples was 3.4 ± 0.2 GPa before and after exposure to tropical conditions. Apparently, the thing that elasticity modulus remained the same after exposure to tropical conditions was due to the fact that only surface of the sample was subject to destruc-tion. The samples with non-capsulated particles experienced 20% decrease in ultimate strength after exposure to tropi-cal conditions while the samples with capsulated particles experienced only 10% decrease, so the material with capsu-lated particles was stronger. The fact that the elastic moduli of samples with capsulated particles remain the same after exposure to the microbial destructors indicates improved resistance of new PCM to biodegradation and confirms prom-ising practical application of the created material. Thus, this article is the first one to demonstrate that application of polylactide-capsulated copper oxide particles in combination with ED-20 epoxy-based polymer provides a possibility to obtain a new composite with improved biocidal effect
{"title":"Novel epoxy-based biocidal composite material filled with polylactide-capsulated copper (I) oxide particles","authors":"M. Danilaev, Safaa.M.R.H. Hussein, Elena Bobina, S. Karandashov, V. Kuklin, Mikhail Klabu-kov, H. Le, Ekaterina Mironskaya, G. Yakovleva, O. Ilinskaya","doi":"10.33640/2405-609x.3309","DOIUrl":"https://doi.org/10.33640/2405-609x.3309","url":null,"abstract":"Abstract To maintain performance of polymer composite materials (PCM) in tropical climate, it is necessary and relevant to deal with biodegradation among other factors. Increasing strength and improvement of biodegradation resistance of polymer composites simultaneously is a critical practical challenge. State-of-the-art methods of polymer composites production do not provide a possibility to address both issues at the same time. In this study, it is the first time when a method to increase strength of ED-20 epoxy-based polymer composite and improve its biodegradation resistance simultaneously is applied. In this study, the authors applied for the first time polylactide-capsulated copper oxide particles to improve biocidal and mechanical performance of ED-20 epoxy-based polymer composite. It was established that composite filled with capsulated particles has better resistance to micromycete-induced damage compared to the one filled with non-capsulated particles. Reduction of surface area affected by micromycetes isolated from samples exposed to tropical conditions was demonstrated for the composite that contained capsulated particles. The paper highlights that prevalence of Aspergillus niger is based on the high productivity of organic acids. It was found that elasticity moduli of polymer composite samples do not have significant differences. The average elasticity modulus of PCM samples was 3.4 ± 0.2 GPa before and after exposure to tropical conditions. Apparently, the thing that elasticity modulus remained the same after exposure to tropical conditions was due to the fact that only surface of the sample was subject to destruc-tion. The samples with non-capsulated particles experienced 20% decrease in ultimate strength after exposure to tropi-cal conditions while the samples with capsulated particles experienced only 10% decrease, so the material with capsu-lated particles was stronger. The fact that the elastic moduli of samples with capsulated particles remain the same after exposure to the microbial destructors indicates improved resistance of new PCM to biodegradation and confirms prom-ising practical application of the created material. Thus, this article is the first one to demonstrate that application of polylactide-capsulated copper oxide particles in combination with ED-20 epoxy-based polymer provides a possibility to obtain a new composite with improved biocidal effect","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42131508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Roa'a M. Al_airaji, Ibtisam A. Aljazaery, H. Alrikabi
Abstract Recently, great attention has been paid to high dynamic range (HDR) images because of their richly detailed and high dynamic range of intensity. The need for pre-processing of the HDR image format with tone mapping (TM) operators makes it unique; the TM operators are provided on display with a low dynamic range (LDR). On the other hand, TM can be regarded as an inevitable attack when protecting HDR image ownership is considered. An adaptive approach for concealing watermarks based on visual saliency and Tucker decomposition has been presented in this article. In the first step, three feature maps were produced and split into three color components (RGB) using the host image. Considering that out of the three feature maps, the first one represents the most significant part of the information in the HDR image, it was selected due to its robustness in terms of watermark insertion. Afterward, an HDR image saliency is created to identify the most significant locations that can be used to securely embed data to achieve a balance between visual quality and watermark strength. The salience map is produced by decomposing a specific HDR image into three LDR images with various intensity levels using a tone-mapping operator. Consequently, the contrast feature (CF) model is applied to each decomposed LDR image; then, the three saliency maps are integrated into a single map. Results of the experiments show that the proposed technique demonstrated superior performance compared with the extant algorithms for HDR image watermarking in terms of resisting various attacks while considering invisibility and embedding capacity
{"title":"Watermark Hiding in HDR image based on Visual Saliency and Tucker decomposition","authors":"Roa'a M. Al_airaji, Ibtisam A. Aljazaery, H. Alrikabi","doi":"10.33640/2405-609x.3307","DOIUrl":"https://doi.org/10.33640/2405-609x.3307","url":null,"abstract":"Abstract Recently, great attention has been paid to high dynamic range (HDR) images because of their richly detailed and high dynamic range of intensity. The need for pre-processing of the HDR image format with tone mapping (TM) operators makes it unique; the TM operators are provided on display with a low dynamic range (LDR). On the other hand, TM can be regarded as an inevitable attack when protecting HDR image ownership is considered. An adaptive approach for concealing watermarks based on visual saliency and Tucker decomposition has been presented in this article. In the first step, three feature maps were produced and split into three color components (RGB) using the host image. Considering that out of the three feature maps, the first one represents the most significant part of the information in the HDR image, it was selected due to its robustness in terms of watermark insertion. Afterward, an HDR image saliency is created to identify the most significant locations that can be used to securely embed data to achieve a balance between visual quality and watermark strength. The salience map is produced by decomposing a specific HDR image into three LDR images with various intensity levels using a tone-mapping operator. Consequently, the contrast feature (CF) model is applied to each decomposed LDR image; then, the three saliency maps are integrated into a single map. Results of the experiments show that the proposed technique demonstrated superior performance compared with the extant algorithms for HDR image watermarking in terms of resisting various attacks while considering invisibility and embedding capacity","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46314699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
I. Sembiring, Paminto Agung Christianto, E. Sediyono
Abstract In Vitro Fertilization (IVF) patients frequently experience anxiety and report it right away to their fertility doctors. But because the fertility specialists took their time to respond, IVF patients eventually became more anxious. The research's findings demonstrated that using the standard feasibility value of 80% along with the Chris Case-Based Reasoning (CCBR) similarity formula led to an accurate system recommendation (100%) with a higher precision value (83.15%). The F value of the ANOVA test was 9.902 with a significance level of 0.007
{"title":"A Note on the Combination of the New Similarity Formula with Feedback to Better Handle Complaints of In Vitro Fertilization (IVF) Patients","authors":"I. Sembiring, Paminto Agung Christianto, E. Sediyono","doi":"10.33640/2405-609x.3308","DOIUrl":"https://doi.org/10.33640/2405-609x.3308","url":null,"abstract":"Abstract In Vitro Fertilization (IVF) patients frequently experience anxiety and report it right away to their fertility doctors. But because the fertility specialists took their time to respond, IVF patients eventually became more anxious. The research's findings demonstrated that using the standard feasibility value of 80% along with the Chris Case-Based Reasoning (CCBR) similarity formula led to an accurate system recommendation (100%) with a higher precision value (83.15%). The F value of the ANOVA test was 9.902 with a significance level of 0.007","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42183336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. W. Shah, F. Ali, I. Bibi, Kashif Ali, Neelam Pervaiz, Mariyum Yousaf
Abstract Eutectic formation in allantoin-octadecenedioic acid system (AOM) has been studied. The binary phase diagram revealed the existence of eutectic at X allantoin = 0.7. Dioic acid caused disruption of network in allantoin and induced defects, ultimately causing the reduction in crystallinity as shown by XRD and SEM analysis. The thermal stability in TGA graphs of allantoin was negligibly altered after mixture formation. Classical hydrogen bonding and alkyl interactions were predicted using software Avogadro and BIOVIA Discovery Studio. The functionalities involved in interactions taking place in the system were studied through in-depth FT-IR spectroscopy. The eutectic showed efficacy for cutaneous wound healing in oryctolagus cuniculus domesticus, hence it could be used as therapeutic for regulation and control of bioactivity.
{"title":"Eutectic Formation and Cutaneous Wound Healing by Binary Allantoin- Octadecenedioic Acid System","authors":"S. W. Shah, F. Ali, I. Bibi, Kashif Ali, Neelam Pervaiz, Mariyum Yousaf","doi":"10.33640/2405-609x.3302","DOIUrl":"https://doi.org/10.33640/2405-609x.3302","url":null,"abstract":"Abstract Eutectic formation in allantoin-octadecenedioic acid system (AOM) has been studied. The binary phase diagram revealed the existence of eutectic at X allantoin = 0.7. Dioic acid caused disruption of network in allantoin and induced defects, ultimately causing the reduction in crystallinity as shown by XRD and SEM analysis. The thermal stability in TGA graphs of allantoin was negligibly altered after mixture formation. Classical hydrogen bonding and alkyl interactions were predicted using software Avogadro and BIOVIA Discovery Studio. The functionalities involved in interactions taking place in the system were studied through in-depth FT-IR spectroscopy. The eutectic showed efficacy for cutaneous wound healing in oryctolagus cuniculus domesticus, hence it could be used as therapeutic for regulation and control of bioactivity.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47793774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. El Khalfi, L. Et-taya, Youssef Achenani, M. Sahal, L. Elmaimouni, A. Benami
Abstract Sb2Se3 photovoltaic cells have garnered much attention recently because of their inexpensive manufacture and long-term stability. So, different buffer layers were investigated using the SCAPS software to improve the device's output. By comparing J-V characteristics and QE for cells with different ETLs, WS2 was discovered to be the best ETL. The impact of carrier concentrations, the active layer, ETL and HTL thickness, absorber density of defects, and electron affinity were also investigated. It was discovered that WS2 could be a good substitute for conventional ETLs. After optimization, efficiency is 30.03%, FF is 87.13%, JSC is 37.15 mA/cm2, and VOC is 0.928 V. This research provides a new strategy to fabricate high-efficiency and Cd-free Sb2Se3-based photovoltaic cells.
{"title":"Performance evaluation of Sb2Se3-based solar photovoltaic cells with various ETL and Cu2O as HTL by SCAPS-1D","authors":"A. El Khalfi, L. Et-taya, Youssef Achenani, M. Sahal, L. Elmaimouni, A. Benami","doi":"10.33640/2405-609x.3303","DOIUrl":"https://doi.org/10.33640/2405-609x.3303","url":null,"abstract":"Abstract Sb2Se3 photovoltaic cells have garnered much attention recently because of their inexpensive manufacture and long-term stability. So, different buffer layers were investigated using the SCAPS software to improve the device's output. By comparing J-V characteristics and QE for cells with different ETLs, WS2 was discovered to be the best ETL. The impact of carrier concentrations, the active layer, ETL and HTL thickness, absorber density of defects, and electron affinity were also investigated. It was discovered that WS2 could be a good substitute for conventional ETLs. After optimization, efficiency is 30.03%, FF is 87.13%, JSC is 37.15 mA/cm2, and VOC is 0.928 V. This research provides a new strategy to fabricate high-efficiency and Cd-free Sb2Se3-based photovoltaic cells.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47298361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract N–((2–Acetylphenyl)carbamothioyl)benzamide has been synthesized and characterized. The molecular conformation of the investigated compound is stabilized by C16–H16B ⋅⋅⋅ O2 i (i: 1+x, y, z) intermolecular and C14–H14 ⋅⋅⋅ S1, N2–H2 ⋅⋅⋅ O2, and N2–H2 ⋅⋅⋅ O1 intramolecular H–bonds. All DFT calculations have been implemented at the B3LYP level with the 6–311G(d,p) basis set. The optimized molecular structure parameters have been compared with the experimental one in the solid phase. The energy gap, global chemical reactivity descriptor parameters, MEP, Fukui functions, DoS, NLO, and NBO analysis were also computed and investigated. The intermolecular interactions and their energies are evaluated using Hirshfeld surface and energy framework analyses. To determine the synthesized compound’s inhibitory effect against the COVID–19 coronavirus’s primary protease, molecular docking investigations were carried out.
{"title":"N–((2–Acetylphenyl)carbamothioyl)benzamide: Synthesis, crystal structure analysis, and theoretical studies","authors":"Akin Oztaslar, H. Arslan","doi":"10.33640/2405-609x.3304","DOIUrl":"https://doi.org/10.33640/2405-609x.3304","url":null,"abstract":"Abstract N–((2–Acetylphenyl)carbamothioyl)benzamide has been synthesized and characterized. The molecular conformation of the investigated compound is stabilized by C16–H16B ⋅⋅⋅ O2 i (i: 1+x, y, z) intermolecular and C14–H14 ⋅⋅⋅ S1, N2–H2 ⋅⋅⋅ O2, and N2–H2 ⋅⋅⋅ O1 intramolecular H–bonds. All DFT calculations have been implemented at the B3LYP level with the 6–311G(d,p) basis set. The optimized molecular structure parameters have been compared with the experimental one in the solid phase. The energy gap, global chemical reactivity descriptor parameters, MEP, Fukui functions, DoS, NLO, and NBO analysis were also computed and investigated. The intermolecular interactions and their energies are evaluated using Hirshfeld surface and energy framework analyses. To determine the synthesized compound’s inhibitory effect against the COVID–19 coronavirus’s primary protease, molecular docking investigations were carried out.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45931519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract The aim of this review is to provide an update on the present status of carbon allotropes, namely fullerenes, carbon nanotubes, and graphene, with a focus on various structures that result from changes in carbon bonding. This review will also help us understand the main features, processes and advancement in the study of fullerene, CNTs and graphene. The extraordinary mobility that is extremely sensitive to field effect makes graphene an appealing substitute to CNTs in FET-based applications. For this, graphene can also be used to produce sensitive sensors and as coating material.
{"title":"Fullerene, Carbon Nanotubes and Graphene: A comprehen-sive review","authors":"S. Bakhsh","doi":"10.33640/2405-609x.3301","DOIUrl":"https://doi.org/10.33640/2405-609x.3301","url":null,"abstract":"Abstract The aim of this review is to provide an update on the present status of carbon allotropes, namely fullerenes, carbon nanotubes, and graphene, with a focus on various structures that result from changes in carbon bonding. This review will also help us understand the main features, processes and advancement in the study of fullerene, CNTs and graphene. The extraordinary mobility that is extremely sensitive to field effect makes graphene an appealing substitute to CNTs in FET-based applications. For this, graphene can also be used to produce sensitive sensors and as coating material.","PeriodicalId":17782,"journal":{"name":"Karbala International Journal of Modern Science","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46006102","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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