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جستجوی مقالات مرتبط با کلیدواژه « Sensor » در نشریات گروه « ریاضی »

تکرار جستجوی کلیدواژه « Sensor » در نشریات گروه « علوم پایه »
  • Seyyed Nourkhah, Goran Cirovic *, Seyyed Edalatpanah
    Smart agriculture, also known as precision agriculture, allows farmers to maximize yields using minimal resources such as water, fertilizer, and seeds. By deploying sensors and mapping fields, farmers can begin to understand their crops at a micro-scale, conserve resources, and reduce impacts on the environment. Smart agriculture has roots in the 1980s when Global Positioning System (GPS) capability became accessible for civilian use. Once farmers could map their crop fields accurately, they could only monitor and apply fertilizer and weed treatments to areas that required it. During the 1990s, early precision agriculture users adopted crop yield monitoring to generate fertilizer and pH correction recommendations. As more variables could be measured and entered into a crop model, more accurate recommendations for fertilizer application, watering, and even peak yield harvesting could be made. Throughout the long term, shrewd cultivating has become valuable to all ranchers-little and huge scope.
    Keywords: Smart Agriculture, Farming, Sensor}
  • Pedram Niknam Rad, Fatemeh Ashtari Mahini *
    The study focused on exploring the potential of pristine boron nitride nanocluster (B12N12) as an effective adsorbent and sensing material for the removal and detection of Nimorazole (NM). Through density functional theory simulations, the research revealed promising findings indicating that the interaction between NM and B12N12 is not only experimentally feasible but also exothermic and spontaneous. Additionally, the influence of solvent, particularly water, was investigated, with results demonstrating that the presence of water does not significantly impact these interactions. Furthermore, the impact of temperature on the thermodynamic parameters was considered, with results indicating that the adsorption process is more favorable at lower temperatures. The study also utilized frontier molecular orbital calculations, which revealed a substantial change in the bandgap of B12N12 during the adsorption process of NM. Specifically, the bandgap was found to increase by 70.795%, from 6.716 (eV) to 11.470 (eV), indicating significant alterations in the electronic properties of B12N12 upon interaction with NM. Moreover, the investigation included Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) studies, which provided insights into the nature of these interactions, indicating a physisorption nature. Overall, the theoretical findings strongly suggest that B12N12 has the potential to serve as an excellent adsorbent and sensor for the removal and detection of NM. This research contributes valuable knowledge to the field of nanomaterials and offers a promising direction for the development of effective strategies for addressing the challenges associated with NM removal and detection.
    Keywords: nimorazole, density functional theory, Adsorption, sensor, Removal}
  • Zohreh Rostami, Katayoon Ahangarbahani, Maedeh Shadpourian, Dorna Abdolkhani *

    The research aimed to fabricate a coated graphite membrane electrode for the potentiometric measurement of mercury (II) using 5,12-dihydroquinoxalino(2,3-b)quinoxaline (L) as the ionophore. Density functional theory computations were employed to investigate the interaction of L with 10 different cations, revealing that L exhibited the strongest interaction with Hg (II). The optimized membrane entailed of 30% PVC, 9% L, 2% NaTPB, and 59% nitrobenzene (NB) yielded the best Nernstian response. The designed electrode revealed a broead linearity domain in the concentration range of 1×10-8-1×10-3 mol L-1 with a slope of 31.2±0.3 mV decade-1 and a limit of detection (LOD) of 7.5×10-9 mol L-1. Selectivity testing using the matched potential method showed no significant interference, affirming the sensor's selectivity. The electrode exhibited a rapid response time of 5 seconds and a lifespan of 4 months. Additionally, the potential response of the electrode remained unaffected by solution pH within the range of 3.0-8.0. The impact of organic solvents on the potential response was also evaluated, demonstrating that the sensor kept its Nernstian behavior in solutions with up to 20% non-aqueous content. In addition, the electrode was successfully utilized to determine Hg (II) in edible samples and employed as an indicator electrode in the potentiometric titration of Hg (II).

    Keywords: Ion selective electrode, Potentiometry, Mercury, PVC membrane, sensor, Quinoxaline}
  • Samaneh Tayebi-Moghaddam *, Pedram Niknam Rad, Mohammad Kohansal
    In this investigation, the function of the smallest fullerene (C20) as a sensor and nano-carrier for the tricyclic antidepressant drug desipramine was scrutinized through density functional theory simulations. The achieved adsorption energies showed the interaction of desipramine with C20 is experimentally possible. The calculated ΔGad, ΔHad and Kth showed the adsorption process is spontaneous, exothermic and reversible. The influences of solvent and temperature on the interactions were also studied and the results showed the adsorption process is more favorable in lower temperatures and the presence of solvent does not have any effect on the nature of interactions. The NBO analysis showed no chemical bond has been created between desipramine and nanostructure and the existing interaction is a physisorption. The frontier molecular orbital analysis results showed the bandgap of fullerene decline -35.30% from 7.678 (eV) to 2.484 (eV) indicating this nanomaterial can be an ideal sensor for the detection of desipramine. The values of dipole moment and chemical hardness showed C20 can be employed as an appropriate nano-carrier for the drug delivery of desipramine.
    Keywords: Desipramine, density functional theory, Adsorption, sensor, Nanocarrier, Tricyclic antidepressants}
  • Bahram Hassani, Maryam Karimian *, Nazila Ghoreishi Amin
    In this study, we have conducted a detailed analysis of 10 recently synthesized chromen derivatives to evaluate their performance as electrocatalytic sensing materials for the detection of Li+ ions. Our investigation involved the use of Infra-red (IR) and frontier molecular orbital (FMO) computations to gain insights into the interactions between these derivatives and Li+ ions. The results obtained from our analysis revealed that the derivative with NO2 substitution in the meta position of the benzene ring exhibited the strongest interaction with Li+ ions. This was observed in both vacuum and aqueous phases, with Kf values of 5.429×10+48 and 1.036×10+23, respectively. Such a strong interaction suggests that this derivative has the potential to be an excellent candidate for the development of electrochemical sensors for the detection of Li+ ions. Furthermore, we also investigated the changes in the bandgap of this derivative during the complexation process. Our findings indicated that this particular derivative experienced the most significant changes in its bandgap, with a percentage decrease of -50.824. This observation highlights its potential as a selective and sensitive recognition element for the detection of Li+ ions. Overall, our research provides valuable insights into the performance of these chromen derivatives as electrocatalytic sensing materials for Li+ ion detection. The derivative with NO2 substitution in the meta position of the benzene ring emerges as a promising candidate due to its strong interaction with Li+ ions and significant changes in its bandgap during complexation. These findings pave the way for the development of new and improved electrochemical sensors for the detection of Li+ ions, which can have significant implications in various fields such as energy storage and battery technologies.
    Keywords: Chromenes, density functional theory, sensor, Complexation, Li+}
  • Samaneh Tayebi-Moghaddam, Mana Aliakbari, Kiana Tayeboun

    Acrylamide is a toxic chemical that is formed in starchy foods like potato chips and can cause cancer in humans. Therefore, its detection is of great importance. In this research, the performance of C24 fullerene as an electrocatalytic sensing material for acrylamide was checked out by DFT simulations. The obtained adsorption energies showed acrylamide interaction with C24 is experimentally feasible. The calculated thermodynamic parameters including ΔGad, ΔHad, and Kth showed acrylamide adsorption process is spontaneous, exothermic, and reversible. The NBO results demonstrated no chemical bond has created between acrylamide and fullerene in the adsorption procedure, hence the adsorption nature is a physisorption. The calculated frontier molecular orbital indices showed the bandgap of fullerene experienced a -52% decline after interacting with acrylamide. Therefore, this nanostructure can be employed as an excellent electrocatalytic sensing material for the fabrication of a new electrochemical sensor for the determination of acrylamide.

    Keywords: Acrylamide, density functional theory, Adsorption, Fullerene (C24), sensor}
  • Mahnaz Qomi *
    Oxycodone is an opioid medicine that is widely prescribed for the treatment of the diseases that are accompanied with sever and chronic pains. In the recent decade, residual pharmaceutical compounds (especially antibiotics and analgesics) have begun to be considered as emerging environmental pollutants due to their continuous input and persistence to aquatic ecosystem even at trace concentrations. Besides, oxycodone is very addictive and at high dosages cause serious life-threatening side effects including bradycardia, circulatory collapse, respiratory depression and even death. In this respect, developing a rapid, simple and sensitive analytical method for the determination of oxycodone is very important. Therefore, in this study, overoxidized poly(4-aminophenol) was electrosynthesized on the surface of a glassy carbon electrode and its applicability for the measurement of oxycodone was investigated for the first time. The modified electrode was characterized by Fourier-transform infrared spectroscopy (FT-IR), cyclic voltammetry (CV) and square wave voltammetry (SWV) techniques. The obtained voltammograms showed a well-defined peak for oxycodone at +1.36 V (vs SCE). The influence of all of the effective experimental parameters on the signal intensity was investigated and optimized. Under the optimized conditions, the designed sensor exhibited two dynamic ranges (20-100 µM) and (100-1000 µM) with y = 0.0701x + 5.8033 (R2=0.9984) and 0.0146x + 11.519 (R2=0.9985) equations respectively. The values of limit of detection (LOD) and limit of quantification (LOQ) were 5.75 and 19.17 µM respectively.
    Keywords: Oxycodone, Voltammetry, Conductive polymer, sensor}
  • Antônio Clécio Fontelles Thomaz *
    Cultivating creations are a fundamental work in modern and for business. The web of things has the ability to change over the techniques we stay in the widespread. We have extra viable assembling, more noteworthy related vehicles, and smoother municipalities, a ton of these as kinds of a coordinated web of things framework. Smooth farming by means of the use of web of things advances will assist agriculturalists with limiting delivered wilds and further develop productivity. That can emerge out of how much fertilizer that has been applied to the wide inconstancy of endeavors the ranch vehicles have totaled. Thus, brilliant lacking is basically a welcome tech gadget of arising food this is even and is viable for the groups. The utilization of Data Innovation (IT) and things like sensors, self-fundamental cars, programmed equipment, work developments, robotization, etc. on this technique are key instruments. In this paper we examine how horticulture fields are benefitted from web of things developments. We encased the point by point web of things Requesting in Agribusiness and the way they're useful. This paper gives a sign of the current condition and future computations of web of things requesting in Horticulture.
    Keywords: Smart Agriculture, IoT, Sensor}
  • Mingyue Wang *
    Agriculture plays an important role within the growth and development of the planet. By the year 2050 world population is predicted to hit several 960 million. It’ll be needed to provide double the amount of food than currently being made. To fulfil the human needs, it'll be needed to revolutionize a replacement agricultural era by introducing advanced technologies to the sphere and delivery them on a similar platform by victimization fashionable digital technologies. Agriculture is that the backbone of each country and economy. Smart Farming through IoT technology may empower farmers to upgrade gain going from the amount of manure to be accustomed quantity of water for irrigating their fields and additionally facilitate them to decrease wastage. And by using Artificial Intelligence [AI] sensors technology worldwide which helps yield healthier crops, track soil, manage pests, growing conditions, coordinate farmer’s data, help with the workload, and advance a wide range of agricultural tasks across the entire food supply chain.
    Keywords: Smart farming, Artificial intelligence, Sensor}
  • Mohammad Reza Jalali Sarvestani *, Maryam Gholizadeh Arashti, Betty Mohasseb
    In this research, IR and frontier molecular orbital (FMO) computations were employed for investigating the performance of B12N12 as a novel recognition element for fabrication of quetiapine thermal and electrochemical sensors. All of the computations were done by density functional theory method in the B3LYP/6-31G(d) level of theory and in the aqueous phase. The obtained enthalpy changes (ΔHad), Gibbs free energy variations (ΔGad) and thermodynamic equilibrium constants (Kth) indicated that quetiapine interaction with boron nitride nanocage is exothermic, spontaneous, irreversible and experimentally feasible. The bond lengths between the adsorbent and the adsorbate and adsorption energy values showed quetiapine interaction with B12N12 is a chemisorption. The temperature was also optimized and the findings revealed 298.15 K is the best temperature for quetiapine adsorption on the B12N12 surface. The DOS spectrums showed B12N12 is an appropriate electroactive recognition for fabrication of new quetiapine electrochemical sensors. The specific heat capacity values (CV) proved the thermal conductivity of quetiapine has improved after its interaction with the nanostructure. Some structural parameters including energy gap, chemical hardness, chemical potential, electrophilicity, maximum transferred charge, zero-point energy and dipole moment were also calculated and discussed in details.
    Keywords: Quetiapine, density functional theory, Boron nitride nanocage (B12N12), Adsorption, sensor}
  • علی اکبر سالاری، مریم ابراهیمی کیا، نسترن احمد آقایی، بهناز دهداری، مازیار نوعی
    Ali Akbar Salari, Maryam Ebrahimikia, Nastaran Ahmadaghaei, Behnaz Dehdari, Maziar Noei
    Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward (C4H5N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31(d) level, and it was found that the adsorption energy (Ead) of pyrrole on the pristine nanotubes is a bout -48.58kcal/mol. But when nanotubes has been doped with S and P atomes , the adsorption energy changed. Calculation showed that when the nanotube is doping by P, the adsorption energy is about -29.04kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Beryllium oxide nanotube is not suitable adsorbent for pyrrole, but when the BeONT doped by P atom the amount of Eg was less than pristine BeONT and that is a suitable semiconductor.
    Keywords: Nanotube, DFT, Pyrrole, Sensor}
  • مازیار نوعی *، فرشته ذوالفقاری، علی اکبر سالاری
    Maziar Noei *, Fereshteh Zolfaghari, Ali Akbar Salari
    Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward hydroquinone (C6H4(OH)2) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G(d) level, and it was found that the adsorption energy (Ead) of hydroquinone on the pristine nanotube is a bout -7.77kcal/mol. But when nanotubes have been doped with Si and Al atomes, the adsorption energy of hydroquinone molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about -19.70kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for hydroquinone and can be use in separation processes hydroquinone. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of hydroquinone an electrical signal is generating directly and therefore can potentially be used for hydroquinone sensors.
    Keywords: Sensor, Nanotube, DFT, Hydroquinone}
  • Maziar Noei *, Fatemeh Meshkinnejad, Ali Moalla
    Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward (C3H4) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of methylacetylene (C3H4) the pristine nanotubes is a bout -1.78kcal/mol. But when nanotube have been doped with Si and Al atomes, the adsorption energy of methylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about -22.73kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for methylacetylene and can be use in separation processes methylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of methylacetylene an electrical signal is generating directly and therefore can potentially be used for methylacetylene sensors.
    Keywords: Nanotube, DFT, Methylacetylene, Sensor}
  • Maziar Noei *, Ali Moalla, Fatemeh Meshkinnezhad
    Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward ethyl acetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si and Al atoms, the adsorption energy of ethylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about -24.19kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for ethylacetylene and can be used in separation processes ethylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of ethylacetylene an electrical signal is generating directly and therefore can potentially be used as ethylacetylene sensors.
    Keywords: Sensor, Nanotube, DFT, Ethyl acetylene}
  • مازیار نوعی *، عسل حاجی جعفر قلی، علی اکبر سالاری
    Maziar Noei *, Asal Haji Jafargholi, Ali Akbar Salari
    Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward pyrrole (C5H6N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of pyrrole on the pristine nanotubes is a bout -16.37kcal/mol. But when nanotube have been doped with Si and Al atomes, the adsorption energy of pyrrole molecule was increased. Calculation showed that when the nanotube is doping by Si, the adsorption energy is about -24.29kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. It seems that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of pyrrole an electrical signal is generating directly and therefore can potentially be used for pyrrole sensors, and BNNT is a suitable adsorbent for pyrrole molecules.
    Keywords: Sensor, Nanotube, DFT, Pyrrole}
  • Ali Niazi *, Shiva Karimi Afshar
    A novel optical sensor has been proposed for sensitive determination of bismuth ion based on immobilization of 4-(4-nitrophenylazo)-1-naphthol on a triacetylcellulose membrane. Chemical binding of bismuth ions in solution with a 4-(4-nitrophenylazo)-1-naphthol immobilized on the triacetylcelluse surface could be monitored spectrophotometrically. The optode shows excellent response over wide concentration range 0.4-3.6 μg mL-1 bismuth with a limit of detection of 0.14 μg mL-1 bismuth. The influence of factors responsible for the improved sensitivity of the sensor were studied and identified. The response time of the optode was 30 sec for a stirrer solution. The influence of potential interfering ions on the determination of 0.4 μg mL-1 bismuth was studied. The proposed optode was applied to the determination of bismuth in pharmaceutical formulation samples.
    Keywords: Optode, Sensor, Bismuth, Determination, Spectrophotometric, Water samples}
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