Brazilian Journal of Physics最新文献

{"title":"Frequency-Dependent First- and Second-Order Hyperpolarizability Response and Chemical Reactivity Analyses of N-(Benzyloxycarbonyloxy) Succinimide: Experimental and Theoretical Investigations","authors":"S. Mohamed Ibrahim Sulaiman Sait,&nbsp;R. Raj Muhamed,&nbsp;R. Rajesh,&nbsp;P. Muzammil,&nbsp;M. Thirunavukkarasu,&nbsp;P. Rajesh,&nbsp;K. Dhanalakshmi,&nbsp;P. Ramesh,&nbsp;M. Raja","doi":"10.1007/s13538-025-01827-5","DOIUrl":"10.1007/s13538-025-01827-5","url":null,"abstract":"<div><p>In heterocyclic compounds, the inherent versatility and dynamic core scaffold have been used in optical and biological research. In this work, the spectral evaluation and quantum computational technique, density functional theory (DFT) approach, is to define the chemical stability and molecular interactions of the title compound, N-(Benzyloxycarbonyloxy) succinimide (NBS). The structural stability with an optimized stable configuration was attained by a potential energy scan analysis (PES), and optimized parameters were discussed with the recorded values. The vibrational spectroscopic assessments for FT-IR and FT-Raman and their equivalent frequencies for the individual modes of the vibrations were achieved. To elucidate the electronic properties, the charge transfer (ICT) for the header composite with various solvents such as acetone, DMSO, and water have been accomplished and the theoretical and recorded relative absorbance spectra obtained using the UV–Vis spectral analysis were carried out. The nucleophilic and electrophilic regions around oxygen and carbon atoms were aided using a molecular potential map for the aforementioned solvents. Natural bond orbital-NBO studies and nonlinear optical (NLO) activities are performed. Furthermore, to emphasize the biological behavior of the compound, the molecular docking analysis was implemented. Here, suitable protein kinase-fibroblast stromelysin inhibitors were selected (PDB; 1H69, 7DHL, 6A6K) to dock with the title compound.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142865","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}

{"title":"Staggered Gap Enhancement Using a Homostructure Double Transport Layer for an Improved Efficiency in Cu2ZnSnS4 Solar Cell","authors":"Moses Eterigho Emetere","doi":"10.1007/s13538-025-01836-4","DOIUrl":"10.1007/s13538-025-01836-4","url":null,"abstract":"<div><p>The staggered gap (type II) band alignment in photovoltaics offers exciting possibilities for improving charge separation and energy efficiency. However, achieving this configuration often requires complex fabrication processes, which can limit scalability and increase production costs. The focus of this paper is to seek ways of overcoming these limitations by considering a nanoparticle homostructure double transport layer under varying thicknesses of the second homostructure transport layers. The one-dimensional solar cell capacitance simulator (SCAP-1D) was used to investigate the optoelectronic properties of the setup, and the stopping and range of ions in matter (SRIM) code was used to investigate the functional characterization of spatial distribution of ions, vacancy generation, and likely elemental dynamics. The highest PCE of 21.43% was obtained with corresponding current density, fill factor, and open-circuit voltage of 38.75 mA/cm², 47.64, and 1.16 V. These results are unique, i.e., considering a kesterite active layer. Selected experimentation in this research work showed that the varying thicknesses of the second homostructure transport layer supported a near-perfect band alignment. Based on other parameters bordering on energy gap, J-V curve, C-V curve, DW-V curve, and EQE, all corroborated that the challenge of limited scalability had been solved. The functional characterization shows that organic transport layers will be successful in achieving the result reported in this work. Hence, commercial fabrication of the setup can be done with minimal error. It is recommended that production costs may be reduced by adopting the green-based substitutes as the buffer layer.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142330","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}

{"title":"Experimental Generation and Analysis of the Fractional Hankel-Bessel Vortex Beams via Computational Holography","authors":"George B. Reis,&nbsp;Rafael A. B. Suarez,&nbsp;Marcos R. R. Gesualdi","doi":"10.1007/s13538-025-01838-2","DOIUrl":"10.1007/s13538-025-01838-2","url":null,"abstract":"<div><p>The experimental generation of any type of structured optical beam requires advanced techniques and optoelectronic instruments of the highest efficiency and reliability. In this sense, in the investigation of structured light beams with orbital angular momentum, called optical vortex, these techniques are necessary to describe and characterize these beams, so that more advanced applications can be performed with greater precision and safety. In this work, the Hankel-Bessel vortex was investigated considering integer and fractional topological charges using the holographic technique. For this, computer-generated holograms of these vortex were reproduced in a holographic setup and a spatial light modulator with the purpose of generating and characterizing this type of optical beam. All computational simulations of the intensity and phase profiles are described, as well as the experimental results of obtaining the intensity and phase profiles by means of a holographic interferometry method and their beam propagation along the <i>z</i>-axis. The experimental results are in agreement with the theoretical predictions simulated and described in the literature. Furthermore, these results present excellent prospects for applications using this optical vortex in various scientific areas, such as physics, biology, and material sciences, for example, in the optical manipulation of micro and nano particles through optical tweezers, optical microscopy, optical communications, and optical metrology.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142426","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}

{"title":"Investigation of Physical Properties of NaBaX3 (X = Cl, Br, and I) Cubic Perovskites Using First-Principles Density-Functional Theory","authors":"Md. Bayjid Hossain Parosh,&nbsp;Nusrat Jahan Nisha,&nbsp;Mohshina Binte Mansur,&nbsp;Istiak Ahmed Ovi,&nbsp;A. M. Quraishi,&nbsp;Md. Rasidul Islam","doi":"10.1007/s13538-025-01839-1","DOIUrl":"10.1007/s13538-025-01839-1","url":null,"abstract":"<div><p>The study investigates the physical properties of cubic perovskites NaBaX₃ (X = Cl, Br, and I) through first-principles calculations to observe the potential for optoelectronic applications. Each of the compounds NaBaX₃ (X = Cl, Br, and I) shows an indirect semiconducting band gap of 3.88 eV, 2.85 eV, and 2.80 eV, respectively, considering they are held together by ionic and covalent bonds. The negative formation enthalpy, positive pressures, and Born stability confirm that the structure remains stable for each compound. They also prove to be both ductile and anisotropic, with NaBaI₃ being more machinable and NaBaCl₃ having a higher melting point as well as higher predicted electrical conductivity from Debye temperature analysis. Strong absorption of ultraviolet (UV) light and a drop in reflectivity are noticed in the areas where the energy loss peaks, making such materials potential UV detectors, scintillators, and protective UV coatings. When viewing phonon dispersion plots, it is evident that the phases may transform because of negative phonon frequencies and tolerance factor differences. Tests report weak thermal conductivity with 0.0159 W/mK, 0.0114 W/mK, and 0.0081 W/mK for the compounds NaBaCl₃, NaBaBr₃, and NaBaI₃, respectively, which makes their use as insulators in optoelectronics very suitable. The fact that entropy–energy relationships and heat capacity values are close to the Dulong–Petit limit with values of 17–18 J/mol·K indicates these materials will perform consistently in thermal conditions. Summarizing everything, NaBaX₃ (X = Cl, Br, and I) perovskites have a stable structure, absorb UV light, and their properties can be changed mechanically and thermally, which is ideal for future photovoltaic and optoelectronic devices.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141873","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}

{"title":"Comparative DNA-Based Detection of Irradiated Calf Liver Using FTIR Spectroscopy and Comet Assay","authors":"Heba M. Fahmy,&nbsp;Wael M. Elshemey,&nbsp;Amany M. Hamad","doi":"10.1007/s13538-025-01833-7","DOIUrl":"10.1007/s13538-025-01833-7","url":null,"abstract":"<div><p>Developing reliable methods to accurately detect irradiated foods and verify compliance with permissible dose limits is crucial for ensuring food safety and supporting the global market for irradiation-preserved products. This study aims to investigate DNA-FTIR analysis for detecting gamma-irradiated calf liver, an animal-derived food, to accurately differentiate between various irradiation doses and, critically, to identify doses that exceed permissible safety limits. DNA-FTIR combined with scatter plot analysis of spectral band characterization parameters and hierarchical cluster analysis (HCA) was used for irradiated-sample inspections. Eighteen equal pieces from a fresh calf liver were individually sealed in polyethylene bags and frozen overnight. Next, six sets of liver slices were prepared: five for the gamma-irradiated groups (1.5, 3, 4.5, 7, and 11 kGy) and one for the non-irradiated control group (0 kGy). DNA-FTIR spectroscopy and DNA comet assays were performed for validation and comparison starting the day following irradiation. The visual assessment of the comet and its parameters indicated DNA damage in all irradiated samples, with only the tail moment parameter showing a strong linear correlation (<i>R</i>² = 0.9) with the administered irradiation doses. This comet parameter attained a sensitivity of 92% and an accuracy of 83% in distinguishing between irradiated and non-irradiated liver samples. The comet test failed to effectively distinguish between different doses of radiation-induced DNA damage in liver samples, and the identification of 11 kGy-irradiated samples was also inadequate. Six DNA-FTIR bands are more reliable discriminative markers for determining whether or not a liver sample was irradiated, according to scatter plots of band peak intensities and area under peak parameters. The P-O-C symmetric vibration band at 1104 cm⁻¹ demonstrated optimal discriminative accuracy and sensitivity of 100%. The characteristic parameters of different bands also showed a strong correlation with the irradiation doses (<i>R</i>² ≥ 0.9). Furthermore, the HCA-dendrogram allowed for a successful classification based on the homogeneity of DNA spectral characteristics. Irradiated samples at acceptable doses of 3, 4.5, and 7 kGy showed some heterogeneity in their DNAs, whereas zero kGy- and 1.5 kGy-irradiated samples showed minimal heterogeneity. Considerable spectrum heterogeneity was observed for the 11 kGy doses. Accurate classification and rapid discrimination for samples occurred between wavenumber ranges of 1720 and 1518 cm⁻¹ (reflecting the nucleobases region). Overall, it is believed that using DNA-FTIR together with HCA helps determine the irradiation history of plant and animal food products accurately and quickly, making it a practical and effective method. This could lead to significant improvements in food safety investigations.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141865","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}

{"title":"Chandrasekhar and Tolman-Oppenheimer-Volkoff Limits for Compact Objects","authors":"Gérald Faussurier","doi":"10.1007/s13538-025-01841-7","DOIUrl":"10.1007/s13538-025-01841-7","url":null,"abstract":"<div><p>We present calculations concerning the mass of various compact objects such as white dwarfs or neutron stars at zero temperature. To this end, we revisit the seminal work of Chandrasekhar, which is extended from the Newtonian equation of hydrostatic equilibrium to the relativistic regime using general relativity. The role of the kinetic energy density of the electrons as well as their rest-mass in the equation of state is discussed. If we use general relativity or include the kinetic energy density of the electrons and their rest-mass, it is shown numerically that the mass, as a function of a useful parameter related to the Fermi momentum and thus to the central mass density of the compact object, reaches a maximum and then shows a damped-oscillating behavior around a saturation mass obtained at large density. These results depart notably from the well-known solution of Chandrasekhar, which used Newtonian equation of hydrostatic equilibrium and surprisingly neglected the kinetic energy density of the electrons as well as their rest-mass while using their relativistic pressure in the equation of state. We then propose an equation of state that takes into account neutronization to have a smooth transition between white dwarfs and neutron stars using general relativity. Shortcomings of such an approach are discussed based on numerical results.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13538-025-01841-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Davey-Stewartson Description of Ion Modulational Instability in a Fermi-Dirac Plasma","authors":"Mohsen Mohammadnejad,&nbsp;Alireza Abdikian","doi":"10.1007/s13538-025-01822-w","DOIUrl":"10.1007/s13538-025-01822-w","url":null,"abstract":"<div><p>In this research, a comprehensive investigation of ion acoustic waves within plasma environments, utilizing the Fermi-Dirac electron distribution, is presented. The reductive perturbation technique is used to derive the three-dimensional Davey-Stewartson equation, and analytical solutions are found in Jacobi elliptic cnoidal and solitary traveling wave forms. The dynamic behaviors of the solutions are then analyzed and studied parametrically. It is believed that current research can significantly contribute to present understanding of nonlinear wave behavior in multispecies warm and dense plasma systems and can have diverse applications to astrophysical and laboratory plasmas. Our investigation using a detailed numerical analysis focuses on the impact of the generalized equation of state (EoS) for Fermi-Dirac electron-ion plasma with three-dimensional Davey-Stewartson solutions with in-depth analysis of the modulation instability of the ion acoustic excitations. Current study incorporates variety of plasma parameters, such as the normalized chemical potential and electron temperature, also exploring electron number density effect on the wide range in electron density-temperature regime. This work advances current understanding of traveling wave behavior, the modulation stability corresponding to the propagation angle, and the instability growth rate providing a comprehensive insight into ion acoustic wave dynamics in plasmas.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141967","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}

{"title":"Arbitrary Amplitude DIA Nonlinear Wave Structures at (M=M_{c}) in an Unmagnetized Five Components Plasma","authors":"Paltu Halder,&nbsp;Sandip Dalui,&nbsp;Sankirtan Sardar,&nbsp;Anup Bandyopadhyay","doi":"10.1007/s13538-025-01829-3","DOIUrl":"10.1007/s13538-025-01829-3","url":null,"abstract":"<div><p>In this problem, we have investigated the arbitrary amplitude dust-ion acoustic (DIA) nonlinear wave structures at the acoustic (sonic) speed <span>(M=M_{c})</span> in a collisionless unmagnetized five components electron-positron-ion-dusty (e-p-i-d) plasma system of Halder et al. (Plasma Phys. Rep. <b>49</b>, 467–483, 2023). The present plasma system confirms the existence of negative potential solitary waves (NPSWs), positive potential solitary waves (PPSWs), and negative potential double layers (NPDLs) at the acoustic speed <span>(M=M_{c})</span>. We have studied the effect of different parameters of the system on the amplitude of PPSWs, NPSWs, and NPDLs at <span>(M=M_{c})</span>. We have also analyzed the difference between various DIA nonlinear wave structures at supersonic speed, subsonic speed, and sonic speed through phase portraits of the dynamical system corresponding to nonlinear DIA wave structures.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141927","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}

{"title":"Relevance of a Weakly Bound Core Nucleus in the Breakup of a Weakly Bound System","authors":"Bahati Mukeru","doi":"10.1007/s13538-025-01834-6","DOIUrl":"10.1007/s13538-025-01834-6","url":null,"abstract":"<div><p>The breakup cross sections of the <span>(^{30})</span>F and <span>(^{31})</span>Ne systems are investigated with the aim of identifying a potential effect of the weakly bound <span>(^{29})</span>F core nucleus of the <span>(^{30})</span>F system. To test the dependence of the results on the core-target interaction, a double folding potential is constructed considering four different nucleon-nucleon interactions. It is found that these interactions produce equivalent results in both reactions. Probably it is the first time that some of these interactions are used in breakup calculations. It is also reported that irrespective of the type of nucleon-nucleon interaction, the breakup cross sections in both reactions are qualitatively similar. A marginal quantitative gain in the case of the <span>(^{31})</span>Ne system can be attributed to its slightly larger dipole electric response function. This could suggest that the breakup of a weakly bound core nucleus following the primary breakup of its parent nucleus may not be feasible without any secondary interaction involving the core nucleus. A detailed study of knockout reactions, where the knocked-out nucleon(s) could strike the core nucleus, may elucidate the role of a weakly bound core nucleus in nuclear reactions.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13538-025-01834-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145142007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lepton Flavor Violation of Z Gauge Boson Decays in Supersymmetric Type-III Seesaw Model","authors":"Vael Hajahmad,&nbsp;Murhaf Alsayed Ali","doi":"10.1007/s13538-025-01830-w","DOIUrl":"10.1007/s13538-025-01830-w","url":null,"abstract":"<div><p>In this study, we investigate the lepton flavor violation (LFV) of <i>Z</i> gauge boson decaying into two different flavor charged leptons <span>(varvec{Zrightarrow } varvec{l}_{varvec{i}} varvec{l}_{varvec{j}})</span> (<span>(varvec{Zrightarrow tau mu })</span>, <span>(varvec{Zrightarrow tau e})</span> and <span>(varvec{Zrightarrow mu e})</span>). This work is performed in the framework of the constrained minimal supersymmetric standard model (CMSSM) which is extended by the type-III seesaw mechanism. By considering constraints from the current experimental bounds on neutrino and supersymmetric particle masses, we calculate the branching ratios of the LFV of <span>(varvec{Z})</span> boson decays. The numerical results are found to be <span>(varvec{1.30 times {10}}^{varvec{-9}})</span> for both the <span>(varvec{tau mu })</span> and <span>(varvec{tau e})</span> decay channels and <span>(varvec{6.40 times {10}}^{varvec{-10}})</span> for the <span>(varvec{mu e})</span> channel. After applying the constraints from the experimental bounds on the radiative two body decays <span>(varvec{l}_{varvec{i}}varvec{rightarrow } varvec{l}_{varvec{j}} varvec{gamma })</span>, the branching ratios of the LFV of <span>(varvec{Z})</span> boson decays get an additional suppression of <span>(varvec{10}^{varvec{-3}})</span> for the <span>(varvec{tau mu })</span> and <span>(varvec{tau e})</span> decay channels and <span>(varvec{10}^{varvec{-8}})</span> for the <span>(varvec{mu e})</span> channel. Our prediction of the branching ratios is several orders of magnitude below the current experimental bounds.</p></div>","PeriodicalId":499,"journal":{"name":"Brazilian Journal of Physics","volume":"55 5","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145145719","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}