Search results for: 1H nuclear magnetic resonance spectroscopy

Authors: Safia Akram

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In this article, the effects of peristaltic transport with double-diffusive convection in nanofluids through an asymmetric channel with different waveforms is presented. Mathematical modelling for two-dimensional and two directional flows of a Jeffrey fluid model along with double-diffusive convection in nanofluids are given. Exact solutions are obtained for nanoparticle fraction field, concentration field, temperature field, stream functions, pressure gradient and pressure rise in terms of axial and transverse coordinates under the restrictions of long wavelength and low Reynolds number. With the help of computational and graphical results the effects of Brownian motion, thermophoresis, Dufour, Soret, and Grashof numbers (thermal, concentration, nanoparticles) on peristaltic flow patterns with double-diffusive convection are discussed.

Keywords: nanofluid particles, peristaltic flow, Jeffrey fluid, magnetic field, asymmetric channel, different waveforms

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Authors: Anila Syed, Manzoor Ahmad

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The relationship between United States and India has transformed from estrangement to wider engagement since 2004. With the convergence of interests and shared values both the US and India came close towards each other and evolved strategic partnership through civil nuclear cooperation. This paper analyze the cost and benefit of strategic partnership with India for US, the impact of India’s emergence as regional power on South Asian balance of power and its impact on Pak-US relationship. It also focuses on security structure of the region and challenges for the US to maintain strategic partnership with two rival states (India and Pakistan). The work also gives some recommendations for balancing power in the region in order to ensure durable peace not only between India and Pakistan but also in south Asia.

Keywords: US-India strategic partnership, civil-nuclear cooperation, balance of power, impacts on Pak-US relationship

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Authors: Rabah Bensaha, Badreddine Toubal

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We investigate the structural, optical and magnetic properties of TiO2, Co-doped TiO2, Ni-doped TiO2 and Co-Ni co-doped TiO2 thin films prepared by the sol-gel dip coating method. Fully anatase phase was obtained by adding metal ions without any detectable impurity phase or oxide formed. AFM and SEM micrographs clearly confirm that the addition of Co-Ni affects the shape of anatase nanoparticles. The crystallite sizes and surface roughness of TiO2 films increase with Co-doping, Ni-doping and Co–Ni co-doping, respectively. The refractive index, thickness and optical band gap values of the films were obtained by means of optical transmittance spectra measurements. The band gap of TiO2 sample was decreased by Co-doping, Ni-doping and Co–Ni co-doping TiO2 films. Both undoped and Co-Ni co-doped films were found to be ferromagnetic at room temperature may due to the presence of oxygen vacancy defect and the probable formation of metal clusters Co-Ni.

Keywords: Co-Ni co-doped, anatase TiO2, ferromagnetic, sol-gel method, thin films

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Authors: Zeyu Zhou, Ziyu Zhao, Xiaochen Yang, Ling AI, Heng Zhai, Stuart Holmes

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As a promising sustainable alternative to traditional fossil fuels, fuel cell technology is highly favoured due to its enhanced working efficiency and reduced emissions. In the context of high-temperature fuel cells (operating above 100 °C), the most commonly used proton exchange membrane (PEM) is the Polybenzimidazole (PBI) doped phosphoric acid (PA) membrane. Grafting is a promising strategy to advance PA-doped PBI PEM technology. The existing grafting modification on PBI PEMs mainly focuses on grafting phosphate-containing or alkaline groups onto the PBI molecular chains. However, quaternary ammonium-based grafting approaches face a common challenge. To initiate the N-alkylation reaction, deacidifying agents such as NaH, NaOH, KOH, K2CO3, etc., can lead to ionic crosslinking between the quaternary ammonium group and PBI. Polyvinylpyrrolidone (PVP) is another widely used polymer, the N-heterocycle groups within PVP endow it with a significant ability to absorb PA. Recently, PVP has attracted substantial attention in the field of fuel cells due to its reduced environmental impact and impressive fuel cell performance. However, due to the the poor compatibility of PVP in PBI, few research apply PVP in PA-doped PBI PEMs. This work introduces an innovative strategy to graft PVP onto PBI to form a network-like polymer. Due to the absence of quaternary ammonium groups, PVP does not pose issues related to crosslinking with PBI. Moreover, the nitrogen-containing functional groups on PVP provide PBI with a robust phosphoric acid retention ability. The nuclear magnetic resonance (NMR) hydrogen spectrum analysis results indicate the successful completion of the grafting reaction where N-alkylation reactions happen on both sides of the grafting agent 1,4-bis(chloromethyl)benzene. On one side, the reaction takes place with the hydrogen atoms on the imidazole groups of PBI, while on the other side, it reacts with the terminal amino group of PVP. The XPS results provide additional evidence from the perspective of the element. On synthesized PBI-g-PVP surfaces, there is an absence of chlorine (chlorine in grafting agent 1,4-bis(chloromethyl)benzene is substituted) element but a presence of sulfur element (sulfur element in terminal amino PVP appears in PBI), which demonstrates the occurrence of the grafting reaction and PVP is successfully grafted onto PBI. Prepare these modified membranes into MEA. It was found that during the fuel cell operation, all the grafted membranes showed substantial improvement in maximum current density and peak power density compared to unmodified one. For PBI-g-PVP 30, with a grafting degree of 22.4%, the peak power density reaches 1312 mW cm⁻², marking a 59.6% enhancement compared to the pristine PBI membrane. The improvement is caused by the improved PA binding ability of the membrane after grafting. The AST test result shows that the grafting membranes have better long-term durability and performance than unmodified membranes attributed to the presence of added PA binding sites, which can effectively prevent the PA leaching caused by proton migration. In conclusion, the test results indicate that grafting PVP onto PBI is a promising strategy which can effectively improve the fuel cell performance.

Keywords: fuel cell, grafting modification, PA doping ability, PVP

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Authors: Tobias Bader, Joerg Rickert

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One key factor in achieving net zero emissions along the cement and concrete value chain in Europe by 2050 is the use of distinct constituents to produce improved and advanced cements. These cements will contain e.g. calcined clays, recycled concrete fines that are chemically similar as well as X-ray amorphous and therefore difficult to distinguish. This leads to enhanced requirements on the analytical methods for quality control regarding accuracy as well as reproducibility due to the more complex cement composition. With the methods currently provided for in the European standards, it will be a challenge to ensure reliable analyses of the composition of the cements. In an ongoing research project, infrared (IR) spectroscopy in combination with mathematical tools (chemometrics) is going to be evaluated as an additional analytical method with fast and low preparation effort for the characterization of silicate-based cement constituents. The resulting comprehensive database should facilitate determination of the composition of new cements. First results confirmed the applicability of near-infrared IR for the characterization of traditional silicate-based cement constituents (e.g. clinker, granulated blast furnace slag) and modern X-ray amorphous constituents (e.g. calcined clay, recycled concrete fines) as well as different sulfate species (e.g. gypsum, hemihydrate, anhydrite). A multivariant calibration model based on numerous calibration mixtures is in preparation. The final analytical concept to be developed will form the basis for establishing IR spectroscopy as a rapid analytical method for characterizing material flows of known and unknown inorganic substances according to their material properties online and offline. The underlying project was funded by the Federal Institute for Research on Building, Urban Affairs and Spatial Development on behalf of the Federal Ministry of Housing, Urban Development and Building with funds from the ‘Zukunft Bau’ research programme.

Keywords: cement, infrared spectroscopy, quality control, X-ray amorphous

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Authors: B. L. Ho, L. Shi, D. F. Wang, V. C. T. Mok

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The brain’s functional connectivity while temporally non-stationary does express consistency at a macro spatial level. The study of stable resting state connectivity patterns hence provides opportunities for identification of diseases if such stability is severely perturbed. A mathematical model replicating the brain’s spatial connections will be useful for understanding brain’s representative geometry and complements the empirical model where it falls short. Empirical computations tend to involve large matrices and become infeasible with fine parcellation. However, the proposed analytical model has no such computational problems. To improve replicability, 92 subject data are obtained from two open sources. The proposed methodology, inspired by financial theory, uses multivariate regression to find relationships of every cortical region of interest (ROI) with some pre-identified hubs. These hubs acted as representatives for the entire cortical surface. A variance-covariance framework of all ROIs is then built based on these relationships to link up all the ROIs. The result is a high level of match between model and empirical correlations in the range of 0.59 to 0.66 after adjusting for sample size; an increase of almost forty percent. More significantly, the model framework provides an intuitive way to delineate between systemic drivers and idiosyncratic noise while reducing dimensions by more than 30 folds, hence, providing a way to conduct attribution analysis. Due to its analytical nature and simple structure, the model is useful as a standalone toolkit for network dependency analysis or as a module for other mathematical models.

Keywords: functional magnetic resonance imaging, multivariate regression, network hubs, resting state functional connectivity

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Authors: Mohammadhosein Rahimi, Mohammad Raouf Hosseini, Mehran Bakhshi, Alireza Baghbanan

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Silver ions (Ag⁺) and their compounds are consequentially toxic to microorganisms, showing biocidal effects on many species of bacteria. Silver-phosphate (or silver orthophosphate) is one of these compounds, which is famous for its antimicrobial effect and catalysis application. In the present study, a green method was presented to synthesis silver-phosphate nanoparticles using Sporosarcina pasteurii. The composition of the biosynthesized nanoparticles was identified as Ag₃PO₄ using X-ray Diffraction (XRD) and Energy Dispersive Spectroscopy (EDS). Also, Fourier Transform Infrared (FTIR) spectroscopy showed that Ag₃PO₄ nanoparticles was synthesized in the presence of biosurfactants, enzymes, and proteins. In addition, UV-Vis adsorption of the produced colloidal suspension approved the results of XRD and FTIR analyses. Finally, Transmission Electron Microscope (TEM) images indicated that the size of the nanoparticles was about 20 nm.

Keywords: bacteria, biosynthesis, silver-phosphate, Sporosarcina pasteurii, nanoparticle

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Authors: M. Hussaina, K. Mahboobb, S. Z. Ilyasa, S. Shaheena

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Plume dispersion modeling is a computational procedure to establish a relationship between emissions, meteorology, atmospheric concentrations, deposition and other factors. The emission characteristics (stack height, stack diameter, release velocity, heat contents, chemical and physical properties of the gases/particle released etc.), terrain (surface roughness, local topography, nearby buildings) and meteorology (wind speed, stability, mixing height, etc.) are required for the modeling of the plume dispersion and estimation of ground and air concentration. During the early phase of Fukushima accident, plume dispersion modeling and decisions were taken for the implementation of protective measures. A difference in estimated results and decisions made by different countries for taking protective actions created a concern in local and international community regarding the exact identification of the safe zone. The current study is focused to highlight the importance of accurate and exact weather data availability, scientific approach for decision making for taking urgent protective actions, compatible and harmonized approach for plume dispersion modeling during a nuclear emergency. As a case study, the influence of meteorological data on plume dispersion modeling and decision-making process has been performed.

Keywords: decision making process, radiation doses, nuclear emergency, meteorological implications

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Authors: Ananya Ananya, Karthik Rao

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Accurate segmentation of knee cartilage in 3-D magnetic resonance (MR) images for quantitative assessment of volume is crucial for studying and diagnosing osteoarthritis (OA) of the knee, one of the major causes of disability in elderly people. Radiologists generally perform this task in slice-by-slice manner taking 15-20 minutes per 3D image, and lead to high inter and intra observer variability. Hence automatic methods for knee cartilage segmentation are desirable and are an active field of research. This paper presents design and experimental evaluation of 2D convolutional neural networks based fully automated methods for knee cartilage segmentation in 3D MRI. The architectures are validated based on 40 test images and 60 training images from SKI10 dataset. The proposed methods segment 2D slices one by one, which are then combined to give segmentation for whole 3D images. Proposed methods are modified versions of U-net and dilated convolutions, consisting of a single step that segments the given image to 5 labels: background, femoral cartilage, tibia cartilage, femoral bone and tibia bone; cartilages being the primary components of interest. U-net consists of a contracting path and an expanding path, to capture context and localization respectively. Dilated convolutions lead to an exponential expansion of receptive field with only a linear increase in a number of parameters. A combination of modified U-net and dilated convolutions has also been explored. These architectures segment one 3D image in 8 – 10 seconds giving average volumetric Dice Score Coefficients (DSC) of 0.950 - 0.962 for femoral cartilage and 0.951 - 0.966 for tibia cartilage, reference being the manual segmentation.

Keywords: convolutional neural networks, dilated convolutions, 3 dimensional, fully automated, knee cartilage, MRI, segmentation, U-net

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Authors: M. Rouhani, F. C. N. Hong, Y. R. Jeng

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The tribological performance of DLC films is limited by graphitization at elevated temperatures. Despite of numerous studies on the thermal stability of DLC films, a comprehensive in-situ characterization at elevated temperature is still lacking. In this study, DLC films were deposited using filtered cathodic arc vacuum method. Thermal stability of the films was characterized in-situally using a synchronized technique integrating Raman spectroscopy and depth-sensing measurements. Tests were performed in a high temperature chamber coupled with feedback control to make it possible to study the temperature effects in the range of 21 – 450 ̊C. Co-located SPM and Raman microscopy maps at different temperature over a specific area on the surface of the film were prepared. The results show that the thermal stability of the DLC films depends on their sp3 content. Films with lower sp3 content endure graphitization during the temperature-course used in this study. The graphitization is accompanied with significant changes in surface roughness and Raman spectrum of the film. Surface roughness of the films start to change even before graphitization transformation could be detected using Raman spectroscopy. Depth-sensing tests (nanoindentation, nano-scratch and wear) endorse the surface roughness change seen before graphitization occurrence. This in-situ study showed that the surface of the films is more sensitive to temperature rise compared to the bulk. We presume the changes observed in films hardness, surface roughness and scratch resistance with temperature rise, before graphitization occurrence, is due to surface relaxation.

Keywords: DLC film, nanoindentation, Raman spectroscopy, thermal stability

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Authors: Aleksander Ostrowski, Hugh J. Byrne, Roland Sanctuary

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Investigation of the polymer interphases is an emerging field nowadays. In many cases interphases determine the functionality of a system. There is a great demand for exploration of fundamental understanding of the interphases and elucidation of their formation, dimensions dependent on various influencing factors, change of functional properties, etc. The epoxy applied on porous glass penetrates its pores with an extent dependent on the pore size, temperature and epoxy components mixing ratio. Developed over the recent time challenging sample preparation procedure allowed to produce very smooth epoxy-porous glass cross-sections. In this study, Raman spectroscopy was used to investigate the epoxy-porous glass interphases. It allowed for chemical differentiation between different regions at the cross-section and determination of the degree of cure of epoxy system in the porous glass.

Keywords: interphases, Raman spectroscopy, epoxy, porous glass

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Authors: Hayrettin Eroglu, Oguz Aksakal

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In this study, it is analysed that which decontamination products are more effective and how decontamination process should be performed in the case of contamination of radioactive 99mTc which is the most common radioactive element used in nuclear applications dealing with the human body or the environment. Based on the study, it is observed that existing radioactive washers are less effective than expected, alcohol has no effect on the decontamination of 99mTc, and temperature and pH are the most important factors. In the light of the analysis, it is concluded that the most effective decontamination product is DM-D (Decontamination Material-D). When the effect of DM-D on surfaces is analysed, it is observed that decontamination is very fast on scrubs and formica with both DM-D and water, and although DM-D is very effective on skin, it is not effective on f ceramic tiles and plastic floor covering material. Also in this study, the effectiveness of different molecular groups in the decontaminant was investigated. As a result, the acetate group has been observed as the most effective component of the decontaminant.

Keywords: contamination, radioactive, technetium, decontamination

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Authors: Ahmed Atwa, Ashraf Hafez, Mohamed Abdelhameed, Adel Nabeeh, Mohamed Dawaba, Tamer Helmy

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Introduction and Objective: Tumour staging and grading do not usually reflect the future behavior of Wilms' tumor (WT) regarding mortality. Therefore, in this study, P53, Ki67 and cyclin A immunohistochemistry were used in a trial to predict WT cancer-specific survival (CSS). Methods: In this nonconcurrent cohort study, patients' archived data, including age at presentation, gender, history, clinical examination and radiological investigations, were retrieved then the patients were reviewed at the outpatient clinic of a tertiary care center by history-taking, clinical examination and radiological investigations to detect the oncological outcome. Cases that received preoperative chemotherapy or died due to causes other than WT were excluded. Formalin-fixed, paraffin-embedded specimens obtained from the previously preserved blocks at the pathology laboratory were taken on positively charged slides for IHC with p53, Ki67 and cyclin A. All specimens were examined by an experienced histopathologist devoted to the urological practice and blinded to the patient's clinical findings. P53 and cyclin A staining were scored as 0 (no nuclear staining),1 (<10% nuclear staining), 2 (10-50% nuclear staining) and 3 (>50% nuclear staining). Ki67 proliferation index (PI) was graded as low, borderline and high. Results: Of the 75 cases, 40 (53.3%) were males and 35 (46.7%) were females, and the median age was 36 months (2-216). With a mean follow-up of 78.6±31 months, cancer-specific mortality (CSM) occurred in 15 (20%) and 11 (14.7%) patients, respectively. Kaplan-Meier curve was used for survival analysis, and groups were compared using the Log-rank test. Multivariate logistic regression and Cox regression were not used because only one variable (cyclin A) had shown statistical significance (P=.02), whereas the other significant factor (residual tumor) had few cases. Conclusions: Cyclin A IHC should be considered as a marker for the prediction of WT CSS. Prospective studies with a larger sample size are needed.

Keywords: wilms’ tumour, nephroblastoma, urology, survival

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Authors: Igor B. Sivaev

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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: Mohammad H. Yarmohammadian, Mehdi Nasr Isfahani, Elham Anbari

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Introduction: The awareness of using chemical, biological, and nuclear agents in everyday industrial and non-industrial incidents has increased recently; release of these materials can be accidental or intentional. Since hospitals are the forefronts of confronting Chemical, Biological, Radiological and Nuclear( CBRN) incidents, the goal of the present research was to provide a generic protocol for CBRN incidents through a comparative review of CBRN protocols and guidelines of different countries and reviewing various books, handbooks and papers. Method: The integrative approach or research synthesis was adopted in this study. First a simple narrative review of programs, books, handbooks, and papers about response to CBRN incidents in different countries was carried out. Then the most important and functional information was discussed in the form of a generic protocol in focus group sessions and subsequently confirmed. Results: Findings indicated that most of the countries had various protocols, guidelines, and handbooks for hazardous materials or CBRN incidents. The final outcome of the research synthesis was a 50 page generic protocol whose main topics included introduction, definition and classification of CBRN agents, four major phases of incident and disaster management cycle, hospital response management plan, equipment, and recommended supplies and antidotes for decontamination (radiological/nuclear, chemical, biological); each of these also had subtopics. Conclusion: In the majority of international protocols, guidelines, handbooks and also international and Iranian books and papers, there is an emphasis on the importance of incident command system, determining the safety degree of decontamination zones, maps of decontamination zones, decontamination process, triage classifications, personal protective equipment, and supplies and antidotes for decontamination; these are the least requirements for such incidents and also consistent with the provided generic protocol.

Keywords: hospital, CBRN, decontamination, generic protocol, CBRN Incidents

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Authors: Tourab Wafa, Nemamcha Mohamed, Babouri Abdessalem

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This paper consists on an experimental and analytical characterization of the electromagnetic environment in the in the medium surrounding a circuit of two 220 Kv power lines running in parallel. The analysis presented in this paper is divided into two main parts. The first part concerns the experimental study of the behavior of the electric field and magnetic field generated by the selected double-circuit at ground level (0 m). While the second part simulate and calculate the fields profiles generated by the both lines at different levels above the ground, from (0 m) to the level close to the lines conductors (20 m above the ground) using the electrostatic and magneto-static modules of the COMSOL multi-physics software. The implications of the results are discussed and compared with the ICNIRP reference levels for occupational and non occupational exposures.

Keywords: HV power lines, low frequency electromagnetic fields, electromagnetic compatibility, inductive and capacitive coupling, standards

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Authors: L. Freeborn

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This paper discusses the application of complex dynamic system theory (DST) to the study of individual differences in second language development. This transdisciplinary framework allows researchers to view the trajectory of language development as a dynamic, non-linear process. A DST approach views language as multi-componential, consisting of multiple complex systems and nested layers. These multiple components and systems continuously interact and influence each other at both the macro- and micro-level. Dynamic systems theory aims to explain and describe the development of the language system, rather than make predictions about its trajectory. Such a holistic and ecological approach to second language development allows researchers to include various research methods from neurological, cognitive, and social perspectives. A DST perspective would involve in-depth analyses as well as mixed methods research. To illustrate, a neurobiological approach to second language development could include non-invasive neuroimaging techniques such as electroencephalography (EEG) and functional magnetic resonance imaging (fMRI) to investigate areas of brain activation during language-related tasks. A cognitive framework would further include behavioural research methods to assess the influence of intelligence and personality traits, as well as individual differences in foreign language aptitude, such as phonetic coding ability and working memory capacity. Exploring second language development from a DST approach would also benefit from including perspectives from the field of applied linguistics, regarding the teaching context, second language input, and the role of affective factors such as motivation. In this way, applying mixed research methods from neurobiological, cognitive, and social approaches would enable researchers to have a more holistic view of the dynamic and complex processes of second language development.

Keywords: dynamic systems theory, mixed methods, research design, second language development

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Authors: Pasquale Porcu, Mireille Vonlanthen, Gerardo Zaragoza-Galán, Ernesto Rivera

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In this work, we report the synthesis of a novel series of dendritic molecules bearing donor-acceptor groups (pyrene-bodipy) with potential applications in energy transfer. Initially, first and second generation Fréchet type dendrons (Py2-G1OH and Py4-G2OH) were prepared from 1-pyrenylbutanol and 3,5-dihydroxybenzylic alcohol. These compounds were further linked to a bodipy unit via an esterification reaction in order to obtain the desired products (Bodipy-G1Py2) and Bodipy-G2Py4). These compounds were fully characterized by FTIR and 1H and 13C NMR spectroscopy and their molecular weights were determined by MALDITOF. The optical and photophysical properties of these molecules were evaluated by absorbance and fluorescence spectroscopy, in order to compare their behaviour with other analogue molecules.

Keywords: bodipy, dendritic molecules, optical properties, pyrene

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Authors: Mohd Sabri Minhat, Nurul Adilla Mohd Subha

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The 1MWth PUSPATI TRIGA Reactor (RTP) in Malaysia Nuclear Agency has been operating more than 35 years. The existing core power control is using conventional controller known as Feedback Control Algorithm (FCA). It is technically challenging to keep the core power output always stable and operating within acceptable error bands for the safety demand of the RTP. Currently, the system could be considered unsatisfactory with power tracking performance, yet there is still significant room for improvement. Hence, a new design core power control is very important to improve the current performance in tracking and regulating reactor power by controlling the movement of control rods that suit the demand of highly sensitive of nuclear reactor power control. In this paper, the proposed Model Predictive Control (MPC) law was applied to control the core power. The model for core power control was based on mathematical models of the reactor core, MPC, and control rods selection algorithm. The mathematical models of the reactor core were based on point kinetics model, thermal hydraulic models, and reactivity models. The proposed MPC was presented in a transfer function model of the reactor core according to perturbations theory. The transfer function model-based predictive control (TFMPC) was developed to design the core power control with predictions based on a T-filter towards the real-time implementation of MPC on hardware. This paper introduces the sensitivity functions for TFMPC feedback loop to reduce the impact on the input actuation signal and demonstrates the behaviour of TFMPC in term of disturbance and noise rejections. The comparisons of both tracking and regulating performance between the conventional controller and TFMPC were made using MATLAB and analysed. In conclusion, the proposed TFMPC has satisfactory performance in tracking and regulating core power for controlling nuclear reactor with high reliability and safety.

Keywords: core power control, model predictive control, PUSPATI TRIGA reactor, TFMPC

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Authors: Kheireddine El-Boubbou

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Drug delivery to target human acute myeloid leukemia (AML) using a nanoparticulate chemotherapeutic formulation that can deliver drugs selectively to AML cancer is hugely needed. In this work, we report the development of a nanoformulation made of polymeric-stabilized multifunctional magnetic iron oxide nanoparticles (PMNP) loaded with the anticancer drug Doxorubicin (Dox) as a promising drug carrier to treat AML. Dox@PMNP conjugates simultaneously exhibited high drug content, maximized fluorescence, and excellent release properties. Nanoparticulate uptake and cell death following addition of Dox@PMNPs were then evaluated in different types of human AML target cells, as well as on normal human cells. While the unloaded MNPs were not toxic to any of the cells, Dox@PMNPs were found to be highly toxic to the different AML cell lines, albeit at different inhibitory concentrations (IC₅₀ values), but showed very little toxicity towards the normal cells. In comparison, free Dox showed significant potency concurrently to all the cell lines, suggesting huge potentials for the use of Dox@PMNPs as selective AML anticancer cargos. Live confocal imaging, fluorescence and electron microscopy confirmed that Dox is indeed delivered to the nucleus in relatively short periods of time, causing apoptotic cell death. Importantly, this targeted payload may potentially enhance the effectiveness of the drug in AML patients and may further allow physicians to image leukemic cells exposed to Dox@PMNPs using MRI.

Keywords: magnetic nanoparticles, drug delivery, acute myeloid leukemia, iron oxide, cancer nanotherapy

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Authors: Md. S. Ansari, S. S. Motsa

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In this paper, an analysis has been made on the flow of non-Newtonian viscoelastic nanofluid over a linearly stretching sheet under the influence of uniform magnetic field. Heat transfer characteristics is analyzed taking into the effect of nonlinear radiation and non-uniform heat source/sink. Transport equations contain the simultaneous effects of Brownian motion and thermophoretic diffusion of nanoparticles. The relevant partial differential equations are non-dimensionalized and transformed into ordinary differential equations by using appropriate similarity transformations. The transformed, highly nonlinear, ordinary differential equations are solved by spectral local linearisation method. The numerical convergence, error and stability analysis of iteration schemes are presented. The effects of different controlling parameters, namely, radiation, space and temperature-dependent heat source/sink, Brownian motion, thermophoresis, viscoelastic, Lewis number and the magnetic force parameter on the flow field, heat transfer characteristics and nanoparticles concentration are examined. The present investigation has many industrial and engineering applications in the fields of coatings and suspensions, cooling of metallic plates, oils and grease, paper production, coal water or coal–oil slurries, heat exchangers’ technology, and materials’ processing and exploiting.

Keywords: magnetic field, nonlinear radiation, non-uniform heat source/sink, similar solution, spectral local linearisation method, Rosseland diffusion approximation

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Authors: Alouaoui Redha, Ferhat Samira, Bouaziz Mohamed Najib

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In this work, we examine the thermal radiation effect on heat and mass transfer in steady laminar boundary layer flow of an incompressible viscous micropolar fluid over a vertical plate, with the presence of a magnetic field. Rosseland approximation is applied to describe the radiative heat flux in the energy equation. The resulting similarity equations are solved numerically. Many results are obtained and representative set is displayed graphically to illustrate the influence of the various parameters on different profiles. The conclusion is drawn that the flow field, temperature, concentration and microrotation as well as the skin friction coefficient and the both local Nusselt and local Sherwood numbers are significantly influenced by Magnetic parameter, material parameter and thermal radiation parameter.

Keywords: MHD, micropolar fluid, thermal radiation, heat and mass transfer, boundary layer

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Authors: Tesfay Gebremichael Reda

Abstract:

Nanoparticle technology is fast progressing and is being employed in innumerable medical applications. At this time, the public's health is seriously threatened by the rise of bacterial strains resistant to several medications. Metal nanoparticles are a potential alternate approach for tackling this global concern, and this is the main focus of this study. The citrate precursor sol-gel synthesis method was used to synthesize the, Niₓ Co(₁-ₓ) Fe₂ O₄, (where x = 0.0:0.2:1.0) nanoparticle. XRD identified the development of the cubic crystal structure to have a preferential orientation along (311), and the average particle size was found to be 29-38 nm. The average crystallizes assessed with ImageJ software and origin 22 of the SEM are nearly identical to the XRD results. In the created NCF NPs, the FT-IR spectroscopy reveals structural examinations and the redistribution of cations between octahedral (505-428 cm-1) and tetrahedral (653-603 cm-1) locales. Finally, the decrease of coercive fields HC, 2384 Oe to 241.93 Oe replacement of Co²+ cation with Ni²+. Band gap energy rises as Ni concentration increases, which may be attributed to the fact that the ionic radii of Ni²+ ions are smaller than that of Co²+ ions, which results in a strong electrostatic interaction. On the contrary, except at x = 0.4, the dielectric constant decreases as the nickel concentration increases. According to the findings of this research work, nanoparticles composed of Ni₀.₄ Co₀.₄ Fe₂ O₄ have demonstrated a promising value against S. aureus and E. coli, and it suggests a proposed model for their potential use as a new source of antibacterial agents.

Keywords: antimicrobial, band gap, citrate precursor, dielectric, nanoparticle

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Authors: K. Petcharaporn

Abstract:

The external characteristics of tomatoes, such as freshness, color and size are typically used in quality control processes for tomatoes sorting. However, the internal mold infection of intact tomato cannot be sorted based on a visible assessment and destructive method alone. In this study, a non-destructive technique was used to predict the internal mold infection of intact tomatoes by using transmittance visible and near infrared (VIS-NIR) spectroscopy. Spectra for 200 samples contained 100 samples for normal tomatoes and 100 samples for mold infected tomatoes were acquired in the wavelength range between 665-955 nm. This data was used in conjunction with partial least squares-discriminant analysis (PLS-DA) method to generate a classification model for tomato quality between groups of internal mold infection of intact tomato samples. For this task, the data was split into two groups, 140 samples were used for a training set and 60 samples were used for a test set. The spectra of both normal and internally mold infected tomatoes showed different features in the visible wavelength range. Combined spectral pretreatments of standard normal variate transformation (SNV) and smoothing (Savitzky-Golay) gave the optimal calibration model in training set, 85.0% (63 out of 71 for the normal samples and 56 out of 69 for the internal mold samples). The classification accuracy of the best model on the test set was 91.7% (29 out of 29 for the normal samples and 26 out of 31 for the internal mold tomato samples). The results from this experiment showed that transmittance VIS-NIR spectroscopy can be used as a non-destructive technique to predict the internal mold infection of intact tomatoes.

Keywords: tomato, mold, quality, prediction, transmittance

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Authors: Pravin M. Tirmali, Sagar M. Mane, Snehal L. Kadam, Shriniwas B. Kulkarni

Abstract:

The La₂NiMnO₆ has been extensively studied for its ferromagnetic and magneto-dielectric properties. The La₂NiMnO₆ double perovskite is modified by partial substitution at B site by Fe transition metal. The La₂Ni₁₋ₓFeₓMnO₆ powder samples were synthesized by hydroxide co-precipitation method. The precipitate was dried and fine griended to form powder and pellet samples (2cm dia.) using hydraulic press. The powder and pellet samples of La₂Ni₁₋ₓFeₓMnO₆ were calcined at high temperature 1200°C to form a pure and stable composition. The nano polar regions (NPR) around Ni²⁺ or Mn⁴⁺ ions due to the cationic antisite disorder gives dielectric relaxation through their mutual interaction. The magneto-dielectric behavior is observed in substituted La₂NiMnO₆ shows Maxwell-Wagner and Debye relaxation due to grain boundary, interface and antisite defects. The magneto-dielectric properties of substituted La₂NiMnO₆ pellet sample were probed by Impedance spectroscopy measurements. The structural and magnetic investigations were also carried out by XRD, FESEM and VSM measurements of substituted La₂NiMnO₆ of powder samples. The synthesized La₂Ni₁₋ₓFeₓMnO₆ powder samples are polycrystalline and ferromagnetic in nature. The La₂Ni₁₋ₓFeₓMnO₆ samples exhibit ferromagnetic disorder with transition temperature near room temperature.

Keywords: La₂NiMnO₆, nano polar regions (NPR), antisite defects, magnetodielctric

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Authors: Angad S. Kushwaha, Rajeev Kumar, Monika Srivastava, S. K. Srivastava

Abstract:

A lot of research work is going on in the field of graphene based SPR biosensor. In the conventional SPR based biosensor, graphene is used as a biomolecular recognition element. Graphene adsorbs biomolecules due to carbon based ring structure through sp2 hybridization. The proposed SPR based biosensor configuration will open a new avenue for efficient biosensing by taking the advantage of Graphene and its fascinating nanofabrication properties. In the present study, we have studied an SPR biosensor based on graphene mediated by Zinc Oxide (ZnO) and Gold. In the proposed structure, prism (BK7) base is coated with Zinc Oxide followed by Gold and Graphene. Using the waveguide approach by transfer matrix method, the proposed structure has been investigated theoretically. We have analyzed the reflectance versus incidence angle curve using He-Ne laser of wavelength 632.8 nm. Angle, at which the reflectance is minimized, termed as SPR angle. The shift in SPR angle is responsible for biosensing. From the analysis of reflectivity curve, we have found that there is a shift in SPR angle as the biomolecules get attached on the graphene surface. This graphene layer also enhances the sensitivity of the SPR sensor as compare to the conventional sensor. The sensitivity also increases by increasing the no of graphene layer. So in our proposed biosensor we have found minimum possible reflectivity with optimum level of sensitivity.

Keywords: biosensor, sensitivity, surface plasmon resonance, transfer matrix method

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Authors: G. Balogh, I. A. Szabó, P.Z. Kovács

Abstract:

Mechanical stress has a strong effect on the magnitude of the Barkhausen-noise in structural steels. Because the measurements are performed at the surface of the material, for a sample sheet, the full effect can be described by a biaxial stress field. The measured Barkhausen-noise is dependent on the orientation of the exciting magnetic field relative to the axis of the stress tensor. The sample inhomogenities including the residual stress also modifies the angular dependence of the measured Barkhausen-noise. We have developed a laboratory device with a cross like specimen for bi-axial bending. The measuring head allowed performing excitations in two orthogonal directions. We could excite the two directions independently or simultaneously with different amplitudes. The simultaneous excitation of the two coils could be performed in phase or with a 90 degree phase shift. In principle this allows to measure the Barkhausen-noise at an arbitrary direction without moving the head, or to measure the Barkhausen-noise induced by a rotating magnetic field if a linear superposition of the two fields can be assumed.

Keywords: Barkhausen-noise, bi-axial stress, stress measuring, stress dependency

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Authors: Kanta Maan Sangwan, Neetu Ahlawat, Rajender Singh Kundu

Abstract:

BaZrTiO3 ceramics having high dielectric constant and low dielectric loss are interesting material for being used as commercial capacitor applications. BZT (BaZrTiO3) has attracted attentions for their many applications for the microwave technology as the doping of Zr4+ on Ti4+ has advantage to the stability of the system. In the present work, co-doping of Zr and V with BaTiO3 ceramics was synthesized by the conventional solid state reaction technique and sintered at 1200 K for 6 hours, and their structural and ferroelectric properties were studied. The XRD (x-ray diffraction) pattern of BZT (BaZrTiO3) ceramics shows that the crystalline sample is single phase tetragonal structure with P4mm space group. The result revealed that Zr ion enters the unit cell maintaining the perovskite structure of BZT ceramics and the impedance spectroscopy of the sample performed in selected frequency and temperature range.

Keywords: ferroelectric, impedance spectroscopy, space group, tetragonal

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Authors: John-Nelson Ekumah, Selorm Yao-Say Solomon Adade, Mingming Zhong, Yufan Sun, Qiufang Liang, Muhammad Safiullah Virk, Xorlali Nunekpeku, Nana Adwoa Nkuma Johnson, Bridget Ama Kwadzokpui, Xiaofeng Ren

Abstract:

Enhancing starch gel strength and stability is crucial. However, traditional gel property assessment methods are destructive, time-consuming, and resource-intensive. Thus, understanding ethanol treatment effects on kudzu starch gel strength and developing a rapid, nondestructive gel strength assessment method is essential for optimizing the treatment process and ensuring product quality consistency. This study investigated the effects of different ethanol concentrations on the microstructure of kudzu starch gels using a comprehensive microstructural analysis. We also developed a nondestructive method for predicting gel strength and classifying treatment levels using near-infrared (NIR) spectroscopy, and advanced data analytics. Scanning electron microscopy revealed progressive network densification and pore collapse with increasing ethanol concentration, correlating with enhanced mechanical properties. NIR spectroscopy, combined with various variable selection methods (CARS, GA, and UVE) and modeling algorithms (PLS, SVM, and ELM), was employed to develop predictive models for gel strength. The UVE-SVM model demonstrated exceptional performance, with the highest R² values (Rc = 0.9786, Rp = 0.9688) and lowest error rates (RMSEC = 6.1340, RMSEP = 6.0283). Pattern recognition algorithms (PCA, LDA, and KNN) successfully classified gels based on ethanol treatment levels, achieving near-perfect accuracy. This integrated approach provided a multiscale perspective on ethanol-induced starch gel modification, from molecular interactions to macroscopic properties. Our findings demonstrate the potential of NIR spectroscopy, coupled with advanced data analysis, as a powerful tool for rapid, nondestructive quality assessment in starch gel production. This study contributes significantly to the understanding of starch modification processes and opens new avenues for research and industrial applications in food science, pharmaceuticals, and biomaterials.

Keywords: kudzu starch gel, near-infrared spectroscopy, gel strength prediction, support vector machine, pattern recognition algorithms, ethanol treatment

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Authors: Alireza Mohadesi, Ashraf Salmanipour

Abstract:

A chemically modified glassy carbon electrode for electrocatalytic determination of sulfide was developed using multiwalled carbon nanotubes (MWCNTs) covalently immobilized with 2,6-dichlorophenolindophenol (DPIP). The immobilization of 2,6-dichlorophenolindophenol with MWCNTs was performed with a new synthetic strategy and characterized by UV–visible absorption spectroscopy, Fourier transform infrared spectroscopy and cyclic voltammetry. The cyclic voltammetric response of DPIP grafted onto MWCNTs indicated that it promotes the low potential, sensitive and stable determination of sulfide. The dependence of response currents on the concentration of sulfide was examined and was linear in the range of 10 - 1100 µM. The detection limit of sulfide was 5 µM and RSD for 100 and 500 µM sulfides were 1.8 and 1.3 %. Many interfering species had little or no effect on the determination of sulfide. The procedure was applied to determination of sulfide in waters samples.

Keywords: functionalized carbon nanotubes, sulfide, biological samples, 2, 6-dichlorophenolindophenol

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