Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i11.2441
With rapid breakthroughs in power conversion efficiency (PCE), hybrid halide perovskites (HHPs) based solar cells have been considered as the potential candidates for the next generation solar cell technology. However, these perovskite solar cells (PSCs) are still far from the door of the photovoltaic market owing to their instability issue involved with various used materials during fabrication. In this work, we deal with the numerical simulation of PSC devices via SCAPS-1D software. For better performance, several prominent materials for absorber layer have been proposed with a combination of La-doped BaSnO3 as ETL and CuI as HTL. The strong dependency of proper ETL, absorber layer and HTL on the overall device performance has been observed. Moreover, the FAPbI3-based device outperformed other devices with different absorber materials, yielding an overall PCE of 22.09 %. Thus, the dry lab approach using computer simulations will be helpful for experimentalists to design and fabricate similar PSCs by reducing the cost of experimental trials.
{"title":"Suitability of LBSO/CuI as an Effective ETL/HTL for Perovskite Solar Cells: A Dry Lab Approach","authors":"","doi":"10.56042/ijpap.v61i11.2441","DOIUrl":"https://doi.org/10.56042/ijpap.v61i11.2441","url":null,"abstract":"With rapid breakthroughs in power conversion efficiency (PCE), hybrid halide perovskites (HHPs) based solar cells have been considered as the potential candidates for the next generation solar cell technology. However, these perovskite solar cells (PSCs) are still far from the door of the photovoltaic market owing to their instability issue involved with various used materials during fabrication. In this work, we deal with the numerical simulation of PSC devices via SCAPS-1D software. For better performance, several prominent materials for absorber layer have been proposed with a combination of La-doped BaSnO3 as ETL and CuI as HTL. The strong dependency of proper ETL, absorber layer and HTL on the overall device performance has been observed. Moreover, the FAPbI3-based device outperformed other devices with different absorber materials, yielding an overall PCE of 22.09 %. Thus, the dry lab approach using computer simulations will be helpful for experimentalists to design and fabricate similar PSCs by reducing the cost of experimental trials.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136305218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3490
By utilising hydrothermal approach undoped and Mn-doped ZnS was synthesized and characterized by using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), Field emission scanning electron microscopy (FE-SEM), Fourier transform infrared spectroscopy (FT-IR) and UV-Visible spectroscopy. The XRD pattern confirmed the cubic sphalerite crystal structure of prepared nanoparticles. Due to Mn doping, size of crystallite for all the samples was increased. FE-SEM images showed spherical morphology of synthesized samples. The EDX spectrum confirms the presence of Mn in the doped sample. FTIR spectrum showed that doping shifts the position of Zn-S absorption band. A red shift was observed in the absorption maxima and the bandgap was decreased with increasing doping percentage from 0 to 10%.
{"title":"To Study the Impact of Mn Doping on Structural, Morphological and Optical Properties of Zinc Sulfide","authors":"","doi":"10.56042/ijpap.v61i9.3490","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3490","url":null,"abstract":"By utilising hydrothermal approach undoped and Mn-doped ZnS was synthesized and characterized by using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), Field emission scanning electron microscopy (FE-SEM), Fourier transform infrared spectroscopy (FT-IR) and UV-Visible spectroscopy. The XRD pattern confirmed the cubic sphalerite crystal structure of prepared nanoparticles. Due to Mn doping, size of crystallite for all the samples was increased. FE-SEM images showed spherical morphology of synthesized samples. The EDX spectrum confirms the presence of Mn in the doped sample. FTIR spectrum showed that doping shifts the position of Zn-S absorption band. A red shift was observed in the absorption maxima and the bandgap was decreased with increasing doping percentage from 0 to 10%.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"24 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3388
There is a tremendous growth in the demand for high performance lead-free ceramics due to environmental issues. In the present work, the traditional solid-state sintering technique at different sintering temperatures, namely, 1380, 1400 and 1420 oC has been employed to prepare lead-free (Ba0.80Ca0.20Zr0.1Ti0.9)O3 ceramics. Detailed XRD analysis suggests pure perovskite structure for the ceramic synthesized at higher sintering temperature 1420 oC without any impurities. Density measurement using Archimedes principle shows a trend of increased densification with increasing sintering temperature. Room temperature frequency dependent dielectric constant study indicates high value of dielectric constant (εrt= 2665-2490) in the frequency range100 Hz-100 kHz for the ceramic sintered at 1420 oC. Temperature dependent dielectric studies at constant frequency (10 kHz) indicates that ceramic prepared at 1420 oC has high Curie temperature Tc =77 oC. Ferroelectric properties of the ceramics are enhanced by raising the sintering temperature from 1380 to 1420 oC with higher spontaneous polarisation of Ps = 7.68 μC/cm2 corresponding to 1420 oC ceramic. The reasonably high values of Curie temperature, room temperature dielectric constant in the large frequency range and improved ferroelectric properties of the ceramic prepared at 1420 oC indicate that this ceramic can be a good candidate for being developed into commercially viable lead-free ferroelectric material.
{"title":"Study of Electrical Properties of Lead-free BCZT Ceramic (Ba0.80Ca0.20Zr0.1Ti0.9)O3 at Different Sintering Temperatures","authors":"","doi":"10.56042/ijpap.v61i9.3388","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3388","url":null,"abstract":"There is a tremendous growth in the demand for high performance lead-free ceramics due to environmental issues. In the present work, the traditional solid-state sintering technique at different sintering temperatures, namely, 1380, 1400 and 1420 oC has been employed to prepare lead-free (Ba0.80Ca0.20Zr0.1Ti0.9)O3 ceramics. Detailed XRD analysis suggests pure perovskite structure for the ceramic synthesized at higher sintering temperature 1420 oC without any impurities. Density measurement using Archimedes principle shows a trend of increased densification with increasing sintering temperature. Room temperature frequency dependent dielectric constant study indicates high value of dielectric constant (εrt= 2665-2490) in the frequency range100 Hz-100 kHz for the ceramic sintered at 1420 oC. Temperature dependent dielectric studies at constant frequency (10 kHz) indicates that ceramic prepared at 1420 oC has high Curie temperature Tc =77 oC. Ferroelectric properties of the ceramics are enhanced by raising the sintering temperature from 1380 to 1420 oC with higher spontaneous polarisation of Ps = 7.68 μC/cm2 corresponding to 1420 oC ceramic. The reasonably high values of Curie temperature, room temperature dielectric constant in the large frequency range and improved ferroelectric properties of the ceramic prepared at 1420 oC indicate that this ceramic can be a good candidate for being developed into commercially viable lead-free ferroelectric material.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3148
We demonstrate that the XMR material ytterbium monoarsenide (YbAs) shows transitions from a trivial to a non-trivial topological phase with hydrostatic pressure of 20 GPa and maintains its topological character up to structural phase transition pressure. We observed band inversions close to the Fermi level at the X high symmetry point at 20 GPa and band parities are used to confirm the same with consideration of Spin-orbit coupling (SOC) effect. The evolution of the surface states and the bulk band structure in YbAs are discussed.
{"title":"Pressure Induced Surface States and Wannier Charge Centers in Ytterbium Monoarsenide","authors":"","doi":"10.56042/ijpap.v61i9.3148","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3148","url":null,"abstract":"We demonstrate that the XMR material ytterbium monoarsenide (YbAs) shows transitions from a trivial to a non-trivial topological phase with hydrostatic pressure of 20 GPa and maintains its topological character up to structural phase transition pressure. We observed band inversions close to the Fermi level at the X high symmetry point at 20 GPa and band parities are used to confirm the same with consideration of Spin-orbit coupling (SOC) effect. The evolution of the surface states and the bulk band structure in YbAs are discussed.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"301 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i11.3463
The present study deals with the impact of (Ti, Cr) co-doping on the structural, optical, and dielectric properties of the SnO2 nanoparticles. The traditional solid-state reaction route is adopted to prepare undoped, Ti-doped and (Ti, Cr) co-doped SnO2 nanoparticles. The structural analysis revealed the polycrystalline nature with a single phase of tetragonal rutile type structure for all the prepared samples. The increment in the crystallite size is observed with doping. The Scanning electron microscopy showed that the nanoparticles are spherical and uniformly distributed. A small variation is noticed in the optical band gap energy of doped samples as compared to the undoped SnO2. The significant changes have been reported in parameters such as dielectric function, capacitance, dielectric loss factor, and AC conductivity. Maxwell-Wagner model is suitable to illustrate the decreasing behaviour of dielectric constant and dielectric loss with frequency. Ti and Cr co-doped SnO2 nanoparticles revealed lower dielectric loss contrary to Ti-doped and undoped SnO2 nanoparticles. The ac conductivity of all the prepared samples increases with frequency and doping. Ti-doped SnO2 nanoparticles exhibited higher ac conductivity, which can be explained by the hopping of charge carriers.
{"title":"Study on Structural and Dielectric Properties of (Ti, Cr) co-doped SnO2 Nanoparticles","authors":"","doi":"10.56042/ijpap.v61i11.3463","DOIUrl":"https://doi.org/10.56042/ijpap.v61i11.3463","url":null,"abstract":"The present study deals with the impact of (Ti, Cr) co-doping on the structural, optical, and dielectric properties of the SnO2 nanoparticles. The traditional solid-state reaction route is adopted to prepare undoped, Ti-doped and (Ti, Cr) co-doped SnO2 nanoparticles. The structural analysis revealed the polycrystalline nature with a single phase of tetragonal rutile type structure for all the prepared samples. The increment in the crystallite size is observed with doping. The Scanning electron microscopy showed that the nanoparticles are spherical and uniformly distributed. A small variation is noticed in the optical band gap energy of doped samples as compared to the undoped SnO2. The significant changes have been reported in parameters such as dielectric function, capacitance, dielectric loss factor, and AC conductivity. Maxwell-Wagner model is suitable to illustrate the decreasing behaviour of dielectric constant and dielectric loss with frequency. Ti and Cr co-doped SnO2 nanoparticles revealed lower dielectric loss contrary to Ti-doped and undoped SnO2 nanoparticles. The ac conductivity of all the prepared samples increases with frequency and doping. Ti-doped SnO2 nanoparticles exhibited higher ac conductivity, which can be explained by the hopping of charge carriers.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"95 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136305027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i11.3115
Elevated levels of primordial radionuclides (238U/ 232Th- decay series and 40 K) are the foremost source of higher background radiations. Natural radioactive elements may prove precariously radioactive in some situations. So, it is essential to quantify the natural levels of radioactivity in the soil to figure out how much the population is exposed to, what the health risks are, and have a starting point for figuring out how radioactivity in the environment will change due to human activities. In this study natural radioactivity in the soil of different residential areas of Fatehabad and Hisar districts in Haryana, India has been quantified. HPGe gamma spectrometry has been used to quantify the activity of 226Ra, 232Th, and 40K in the soil of the area under investigation. The respective activity concentration of 226Ra, 232Th, and 40K ranged 32 to 53 Bq kg−1, 23 to 41 Bq kg−1, and 402 to 610 Bq kg−1. The activity equivalent to radium only (Raeq), the air absorbed dose rate (AAD), the effective dose equivalent rate(AEDEC), the gonadal dose equivalent rate (AGDE), the external risk index, the internal risk index, the index for gamma level, cancer risk for an average lifetime, etc. were calculated and compared with the international standards. Each sample of soil had lesser radium equivalent activities than the permissible limit, i.e., 370 Bq kg-1primarily set by the Organisation for Economic Co-operation and Development (OECD), and the effective dose equivalent was below the safe limit of 1.0 mSv y-1. Organ-specific dose values are pretty considerable but not in the danger zone. The Clark value refuses the probability of finding any uranium ore. This study indicates that the area being studied is a place with low background radiation exposure from radionuclides.
高水平的原始放射性核素(238U/ 232Th衰变系列和40k)是高背景辐射的主要来源。天然放射性元素在某些情况下可能具有危险的放射性。因此，有必要量化土壤中的自然放射性水平，以确定人口受到多少辐射，健康风险是什么，并有一个起点，以确定环境中的放射性如何因人类活动而变化。本研究对印度哈里亚纳邦Fatehabad和Hisar地区不同居民区土壤中的天然放射性进行了量化。采用HPGe能谱法定量测定了该地区土壤中226Ra、232Th和40K的活性。226Ra、232Th和40K的活性浓度分别为32 ~ 53 Bq kg - 1、23 ~ 41 Bq kg - 1和402 ~ 610 Bq kg - 1。计算了辐射辐射的放射性当量(Raeq)、空气吸收剂量率(AAD)、有效剂量当量率(AEDEC)、性腺剂量当量率(AGDE)、外部风险指数、内部风险指数、γ水平指数、平均一生癌症风险等指标，并与国际标准进行了比较。每个土壤样品的镭当量活度低于经济合作与发展组织(经合组织)主要规定的容许限度，即370 Bq kg-1，有效剂量当量低于1.0 mSv -1的安全限度。器官特异性剂量值相当可观，但不在危险范围内。克拉克值拒绝了发现任何铀矿石的可能性。这项研究表明，所研究的地区是一个放射性核素本底辐射暴露低的地方。
{"title":"Natural Radionuclides in Surface Soil and Quantification of Associated Radiological Hazards in Fatehabad and Hisar districts, Haryana, India","authors":"","doi":"10.56042/ijpap.v61i11.3115","DOIUrl":"https://doi.org/10.56042/ijpap.v61i11.3115","url":null,"abstract":"Elevated levels of primordial radionuclides (238U/ 232Th- decay series and 40 K) are the foremost source of higher background radiations. Natural radioactive elements may prove precariously radioactive in some situations. So, it is essential to quantify the natural levels of radioactivity in the soil to figure out how much the population is exposed to, what the health risks are, and have a starting point for figuring out how radioactivity in the environment will change due to human activities. In this study natural radioactivity in the soil of different residential areas of Fatehabad and Hisar districts in Haryana, India has been quantified. HPGe gamma spectrometry has been used to quantify the activity of 226Ra, 232Th, and 40K in the soil of the area under investigation. The respective activity concentration of 226Ra, 232Th, and 40K ranged 32 to 53 Bq kg−1, 23 to 41 Bq kg−1, and 402 to 610 Bq kg−1. The activity equivalent to radium only (Raeq), the air absorbed dose rate (AAD), the effective dose equivalent rate(AEDEC), the gonadal dose equivalent rate (AGDE), the external risk index, the internal risk index, the index for gamma level, cancer risk for an average lifetime, etc. were calculated and compared with the international standards. Each sample of soil had lesser radium equivalent activities than the permissible limit, i.e., 370 Bq kg-1primarily set by the Organisation for Economic Co-operation and Development (OECD), and the effective dose equivalent was below the safe limit of 1.0 mSv y-1. Organ-specific dose values are pretty considerable but not in the danger zone. The Clark value refuses the probability of finding any uranium ore. This study indicates that the area being studied is a place with low background radiation exposure from radionuclides.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"91 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136305234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3209
The ZnSe material synthesised by the fusion method was used to deposit 200 nm thin layers on corning glass substrate at 300 K in a vacuum (2x10-6 mbar). The as-deposited films were annealed at 573 K in a vacuum (1x10-3 mbar). The obtained crystallites provide the most significant peak (MSP) along (111) orientations corresponding to a zinc blende structure. Further, the grown samples show maximum transmittance of ~ 90% in visible - NIR regions of the E M Spectrum. The layers possess the direct bandgap (Eg) of 2.02 (300 K) and 2.57 eV (573 K). The surface morphology indicates the uniform spread of nanocrystalline particles over the substrate. Thus, the obtained ZnSe films are useful as buffer/window layers in solar cell structures.
{"title":"A Two-step Method to Grow ZnSe Thin Films and To Study their Characteristics","authors":"","doi":"10.56042/ijpap.v61i9.3209","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3209","url":null,"abstract":"The ZnSe material synthesised by the fusion method was used to deposit 200 nm thin layers on corning glass substrate at 300 K in a vacuum (2x10-6 mbar). The as-deposited films were annealed at 573 K in a vacuum (1x10-3 mbar). The obtained crystallites provide the most significant peak (MSP) along (111) orientations corresponding to a zinc blende structure. Further, the grown samples show maximum transmittance of ~ 90% in visible - NIR regions of the E M Spectrum. The layers possess the direct bandgap (Eg) of 2.02 (300 K) and 2.57 eV (573 K). The surface morphology indicates the uniform spread of nanocrystalline particles over the substrate. Thus, the obtained ZnSe films are useful as buffer/window layers in solar cell structures.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3064
Malaria is a life-threatening disease caused by parasites of the genus Plasmodium that are transmitted through the bite of infected female Anopheles mosquitoes. The essential role of fatty acids in the malarial parasite's liver and blood stages makes it a promising target for combating P. falciparum. However, the emergence of strains of the malarial parasite has limited the efficacy of currently available drugs against malaria. Therefore, there is an urgent need to develop new drugs that can target the parasite and overcome drug resistance. This study aimed to identify potential dipeptide inhibitors for the PfENR enzyme using in-silico methods. Virtual screening was performed using thelibrary of 400 dipeptides to identify lead dipeptides with an affinity towards PfENR. We observed dipeptides Trp-Trp, Trp-Phe, Trp-Tyr, Tyr-Phe are showing the best affinity against PfENR. Density Functional Theory (DFT) analysis was used to reveal the electronic structure and reactivity of the top dipeptides by calculating the HOMO-LUMO gap. Additionally, we assessed the pharmacokinetic and other relevant properties of the lead dipeptides. All the lead dipeptides followed Lipinski's rule of five (Ro5). Our findings suggest that the identified dipeptides have significant potential as inhibitors of PfENR and could lead to the development of a novel class of antimalarial drugs. This research provides valuable insights into developing effective drugs to combat malaria.
{"title":"Identification of Potential Dipeptide Inhibitors for PfENR Enzyme in Fatty Acid Biosynthesis Pathway II: A Computational Study for Developing Novel Antimalarials","authors":"","doi":"10.56042/ijpap.v61i9.3064","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3064","url":null,"abstract":"Malaria is a life-threatening disease caused by parasites of the genus Plasmodium that are transmitted through the bite of infected female Anopheles mosquitoes. The essential role of fatty acids in the malarial parasite's liver and blood stages makes it a promising target for combating P. falciparum. However, the emergence of strains of the malarial parasite has limited the efficacy of currently available drugs against malaria. Therefore, there is an urgent need to develop new drugs that can target the parasite and overcome drug resistance. This study aimed to identify potential dipeptide inhibitors for the PfENR enzyme using in-silico methods. Virtual screening was performed using thelibrary of 400 dipeptides to identify lead dipeptides with an affinity towards PfENR. We observed dipeptides Trp-Trp, Trp-Phe, Trp-Tyr, Tyr-Phe are showing the best affinity against PfENR. Density Functional Theory (DFT) analysis was used to reveal the electronic structure and reactivity of the top dipeptides by calculating the HOMO-LUMO gap. Additionally, we assessed the pharmacokinetic and other relevant properties of the lead dipeptides. All the lead dipeptides followed Lipinski's rule of five (Ro5). Our findings suggest that the identified dipeptides have significant potential as inhibitors of PfENR and could lead to the development of a novel class of antimalarial drugs. This research provides valuable insights into developing effective drugs to combat malaria.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"270 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3841
A series of ZnFe2O4 spinel ferrite doped with Ytterbium ions were synthesized using the solution combustion method. The XRD patterns of the prepared samples confirmed the cubic spinel structure with space group Fd-3m. Scherrer’s formula was used to calculate the crystallite size of the samples and it was found to be 20.69, 17.16 and11.09 nm. The SEM image showed irregular morphological distribution. The Dielectric constant and dielectric loss were studied at different temperatures and frequencies. The impedance analysis indicates that the conduction mechanism depends highly on the grain boundary resistance.
{"title":"Dielectric Study of Ytterbium Doped ZnFe2O4 Spinel Ferrite Synthesized by Solution Combustion Method","authors":"","doi":"10.56042/ijpap.v61i9.3841","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3841","url":null,"abstract":"A series of ZnFe2O4 spinel ferrite doped with Ytterbium ions were synthesized using the solution combustion method. The XRD patterns of the prepared samples confirmed the cubic spinel structure with space group Fd-3m. Scherrer’s formula was used to calculate the crystallite size of the samples and it was found to be 20.69, 17.16 and11.09 nm. The SEM image showed irregular morphological distribution. The Dielectric constant and dielectric loss were studied at different temperatures and frequencies. The impedance analysis indicates that the conduction mechanism depends highly on the grain boundary resistance.","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135496257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.56042/ijpap.v61i9.3494
Tin selenide (SnSe) is a semiconductor with an orthorhombic crystal structure having an indirect and direct band gap of 0.9 eV and 1.3 eV respectively. The SnSe and Mg-doped SnSe was synthesized by high energy ball milling technique at 300 RPM for 22 hrs. The formation of pure orthorhombic phases of SnSe and Mg-doped SnSe were confirmed by X-ray diffraction (XRD). From the XRD pattern, the crystalline size was estimated which lies below ~10 nm. The morphology of particle size distribution was carried out by scanning electron microscopy (SEM).
{"title":"Synthetization and Characterization of Mg-doped SnSe with Mg Substitution at the Sn Site by High Energy Ball Milling Technique","authors":"","doi":"10.56042/ijpap.v61i9.3494","DOIUrl":"https://doi.org/10.56042/ijpap.v61i9.3494","url":null,"abstract":"Tin selenide (SnSe) is a semiconductor with an orthorhombic crystal structure having an indirect and direct band gap of 0.9 eV and 1.3 eV respectively. The SnSe and Mg-doped SnSe was synthesized by high energy ball milling technique at 300 RPM for 22 hrs. The formation of pure orthorhombic phases of SnSe and Mg-doped SnSe were confirmed by X-ray diffraction (XRD). From the XRD pattern, the crystalline size was estimated which lies below ~10 nm. The morphology of particle size distribution was carried out by scanning electron microscopy (SEM).","PeriodicalId":13509,"journal":{"name":"Indian Journal of Pure & Applied Physics","volume":"63 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135494674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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