Search Results - "Samaneh Bagheri"

Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 by Bagheri Novir, Samaneh, Aram, Mohammad Reza

“…[Display omitted] •DFT calculations have been performed to study the interactions between doped C60 with chloroquine.•Adsorption of chloroquine on the doped…”
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Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics by Novir, Samaneh Bagheri, Aram, Mohammad Reza

“…The mechanical and thermodynamic properties of β and α structures of SiC and also monoclinic and cubic structures of ZrO 2 have been considered via…”
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Pesticides residues determination and probabilistic health risk assessment in the soil and cantaloupe by Monte Carlo simulation: A case study in Kashan and Aran-Bidgol, Iran by Hesami Arani, Mohsen, Kermani, Majid, Rezaei Kalantary, Roshanak, Jaafarzadeh, Neamatollah, Bagheri Arani, Samaneh

“…Cantaloupe is a popular agricultural product in the hot season of Iran. On the other hand, the frequent use of pesticides in cantaloupe fields is the most…”
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A theoretical study of the structural and electronic properties of trans and cis structures of chlorprothixene as a nano-drug by Bagheri Novir, Samaneh

“…Geometrical structure, electronic and optical properties, electronic absorption spectra, thermodynamic properties, natural charge distribution, MEP analysis,…”
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Performance Evaluation of Carbonized Vermiculite–Polycarbonate Nanofibrous Adsorbent for Congo Red Removal by Ghorbanian, Sohrab Ali, Bagheri Renani, Samaneh, Fatoorehchi, Hooman, Molajafari, Fateme, Zahedi, Payam

“…Today, the removal of dyes as one of the most important pollutants in water resources using polymeric nanofibers and silicate-based materials has received a…”
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Computational investigation of low band gap dyes based on 2-styryl-5-phenylazo-pyrrole for dye-sensitized solar cells by Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

“…In this work, the geometry, electronic properties and absorption spectra of low band gap organic dyes based on 2-styryl-5-phenylazo-pyrrole, C1, C2 and S dyes…”
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Simultaneous adsorption of heavy metal ions (Cu2+ and Cd2+) from aqueous solutions by magnetic silica nanoparticles (Fe3O4@SiO2) modified using EDTA by Esrafili, Ali, Bagheri, Samaneh, Kermani, Majid, Gholami, Mitra, Moslemzadeh, Mehrdad

“…In this study, Fe3O4@SiO2 magnetic nanoparticles are modified with EDTA and used as a selective and efficient adsorbent for the removal of Cu2+ and Cd2+ heavy…”
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Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drug by Noori Tahneh, Akram, Bagheri Novir, Samaneh, Balali, Ebrahim

“…The geometrical structure, electronic and optical properties, electronic absorption spectra, vibrational frequencies, natural charge distribution, MEP analysis…”
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Quantum mechanical studies of the adsorption of Remdesivir, as an effective drug for treatment of COVID-19, on the surface of pristine, COOH-functionalized and S-, Si- and Al- doped carbon nanotubes by Bagheri Novir, Samaneh, Aram, Mohammad Reza

“…Remdesivir has been recognized as an important medicine in the control of COVID-19 illness. Since carbon nanotubes were considered in the design of novel drug…”
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Density functional theory study of new azo dyes with different π-spacers for dye-sensitized solar cells by Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

“…[Display omitted] •The effects of various π-spacers on the performance of DSSCs were investigated.•Some of key parameters affecting the Jsc and Voc of DSSCs…”
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Theoretical study of Z- and E-isomers of some hemithioindigo-based peptide-switches by Bagheri Novir, Samaneh

“…[Display omitted] •Z- and E- isomers of some HTI-peptides were studied by quantum methods.•Meta-compounds have smaller λmaxs compared to the…”
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Quantum study of DHA, DPA and EPA anticancer fatty acids for microscopic explanation of their biological functions by Bagheri Novir, Samaneh, Tirandaz, Arash, Lotfipour, Hoda

“…Theoretical and computational study on quantum properties of DHA/DPA/EPA molecules has been surveyed.Quantum chemical calculations of DHA, DPA and EPA as three…”
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The effect of some volatile organic compounds on the biological control of fungal and pseudofungal pathogens isolated from Rosmarinus officinalis by Kowsar Shirazi, Samaneh Bagheri, Nafiseh Mahdinezhad

“…Fungal diseases cause a massive reduction in the production of rosemary plants every year. Volatile organic compounds (VOCs) can provide valuable fungal…”
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Quantum chemical investigation of structural and electronic properties of trans- and cis-structures of some azo dyes for dye-sensitized solar cells by Bagheri Novir, Samaneh, Hashemianzadeh, Seyed Majid

“…[Display omitted] •The effects of different positions of anchoring group were investigated.•Some of the key factors affecting the Jsc and Voc of DSSCs have…”
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Frequency of HER2 Expression, MMR Deficiency, and PI3KCA Mutation in Pretreated Surgical Specimens of Patients with Esophageal Squamous Cell Carcinoma in Iran Cancer Institute by Salarvand Farzaneh Bagheri, Samaneh, Gholizadeh, Mahsa, Sharifi, Sima, Panahi, Pooneh, Esmati, Ebrahim, Lashkari, Marzieh, Jalaeefar, Amirmohsen, Shirkhoda, Mohammad, Shahsiah, Reza, Ghalehtaki, Reza

“…Iran is located in the esophageal cancer geographical belt. As multiple genetic alterations are responsible for the molecular pathogenesis of esophageal…”
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Computational investigation of structural and electronic properties of cis and trans structures of fluvoxamine as a nano-drug by Dadkhah, Samad, Bagheri Novir, Samaneh, Balali, Ebrahim

“…[Display omitted] •Trans and cis structures of FLV were investigated by quantum methods.•Trans structure of FLV is more stable than the cis structure.•Trans…”
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Deep analysis of N-cadherin/ADH-1 interaction: a computational survey by Eslami, Mahboobeh, Nezafat, Navid, Khajeh, Sahar, Mostafavi-Pour, Zohreh, Bagheri Novir, Samaneh, Negahdaripour, Manica, Ghasemi, Younes, Razban, Vahid

“…Due to the considerable role of N-cadherin in cancer metastasis, tumor growth, and progression, inhibition of this protein has been highly regarded in recent…”
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Investigating Factors Affecting Energy Consumption and Pollution Emission: A Case Study of Iran by Samaneh Bagheri

“…Introduction: Iran is one of the ten countries with the most pollution, so research in this field is necessary. The goal of countries is high economic growth…”
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Investigating a Non-Cyclical Diagram Between Energy Consumption, Carbon Dioxide Emissions and Economic Growth: a Case Study IRAN by Samaneh Bagheri

“…Introduction: Fossil fuel consumption has warmed the earth by releasing greenhouse gases. Abnormal climate changes, rising sea levels, melting glaciers and…”
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Carbon Dioxide Emission Spillover in the OPEC Member Countries by Samaneh Bagheri

“…Introduction: The industrial revolution not only started a new era of rapid economic growth in countries, but also brought modern phenomena such as global…”
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