Works by Raissi, Heidar

Results: 73

Optimizing saffron bioactive extraction with deep eutectic solvents.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-99695-1

By:

Saberi, Atefeh;
Raissi, Heidar;
Zaboli, Ameneh;
Hashemzadeh, Hassan

Publication type:

Article

Doped-SiCNT as a promising sensor for detection of CS 2 molecule.

Published in:

Journal of Sulfur Chemistry, 2017, v. 38, n. 4, p. 372, doi. 10.1080/17415993.2017.1302449

By:

Ghiassi, Hamideh;
Raissi, Heidar

Publication type:

Article

Comprehensive study of the structural and electronic properties of complexes formed by M (Li , Na , K , Be , Mg , Ca ) cation and thiophene and its derivatives.

Published in:

Journal of Sulfur Chemistry, 2015, v. 36, n. 1, p. 48, doi. 10.1080/17415993.2014.962537

By:

Ghiassi, Hamideh;
Raissi, Heidar

Publication type:

Article

Theoretical conformational study of 1,1,1-trifluoro-4-mercapto-but-3-ene-2-thione and the importance of intramolecular hydrogen bonding in ground and first electronic excited state.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 6, p. 613, doi. 10.1080/17415993.2014.942780

By:

Hokmabadi, Leila;
Raissi, Heidar;
Mollania, Fariba

Publication type:

Article

A computational investigation on the molecular structure, electronic properties and intramolecular hydrogen bonding interaction of 1,1,1-trifluoro-4-mercaptobut-3-ene-2-thione in ground and electronic excited state.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 5, p. 512, doi. 10.1080/17415993.2014.930863

By:

Hokmabadi, Leila;
Raissi, Heidar

Publication type:

Article

Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol.

Published in:

Journal of Sulfur Chemistry, 2014, v. 35, n. 2, p. 152, doi. 10.1080/17415993.2013.819873

By:

Farzad, Farzaneh;
Farsi, Hossein;
Raissi, Heidar

Publication type:

Article

Conformational study, molecular structure, and S H?N, S?H N intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde.

Published in:

Journal of Sulfur Chemistry, 2012, v. 33, n. 1, p. 75, doi. 10.1080/17415993.2011.635793

By:

Raissi, Heidar;
Yoosefian, Mehdi;
Zamani, Soheila;
Farzad, Farzaneh

Publication type:

Article

Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial.

Published in:

Journal of Sulfur Chemistry, 2010, v. 31, n. 4, p. 275, doi. 10.1080/17415993.2010.492871

By:

Nadim, EmadSaleh;
Raissi, Heidar;
Yoosefian, Mehdi;
Farzad, Farzaneh;
Nowroozi, AliReza

Publication type:

Article

The DFT and MP2 based computational scrutiny on blue-shifted H–F stretching vibrational frequencies in hydrogen-fluoride complexes with nitriles: Insights into the decisive role of intermolecular hydrogen bonding (IMHB) in ground and electronic excited states

Published in:

Arabian Journal of Chemistry, 2019, v. 12, n. 8, p. 2833, doi. 10.1016/j.arabjc.2015.06.003

By:

Khoshbin, Zahra;
Raissi, Heidar;
Zaboli, Maryam

Publication type:

Article

Assessment of dynamical properties of mercaptopurine on the peptide-based metal–organic framework in response to experience of external electrical fields: a molecular dynamics simulation.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4178-1

By:

Shahabi, Mahnaz;
Raissi, Heidar

Publication type:

Article

Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4024-5

By:

Dehneshin, Narjes;
Raissi, Heidar;
Hasanzade, Zohre;
Farzad, Farzaneh

Publication type:

Article

The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel: a molecular dynamics simulation study.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 8, p. 1, doi. 10.1007/s00894-017-3391-z

By:

Hashemzadeh, Hassan;
Raissi, Heidar

Publication type:

Article

Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 2, p. 1, doi. 10.1007/s00894-017-3207-1

By:

Hasanzade, Zohre;
Raissi, Heidar

Publication type:

Article

Mechanistic, energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine.

Published in:

Journal of the Serbian Chemical Society, 2018, v. 83, n. 2, p. 167, doi. 10.2298/JSC170218072S

By:

SHAKI, HOSEIN;
MORSALI, ALI;
RAISSI, HEIDAR;
HAKIMI, MOHAMMAD;
BEYRAMABADI, S. ALI

Publication type:

Article

Mechanistic, energetic and structural studies of single-walled carbon nanotubes functionalized with penicillamine.

Published in:

Journal of the Serbian Chemical Society, 2018, v. 83, n. 1, p. 1, doi. 10.2298/JSC170218072S

By:

SHAKI, HOSEIN;
MORSALI, ALI;
RAISSI, HEIDAR;
HAKIMI, MOHAMMAD;
BEYRAMABADI, S. ALI

Publication type:

Article

On the pseudocapacitive behavior of nanostructured molybdenum oxide.

Published in:

Journal of Solid State Electrochemistry, 2010, v. 14, n. 4, p. 643, doi. 10.1007/s10008-009-0830-5

By:

Hossein Farsi;
Fereydoon Gobal;
Heidar Raissi;
Shokufeh Moghiminia

Publication type:

Article

The pH effects on the capacitive behavior of nanostructured molybdenum oxide.

Published in:

Journal of Solid State Electrochemistry, 2010, v. 14, n. 4, p. 681, doi. 10.1007/s10008-009-0828-z

By:

Hossein Farsi;
Fereydoon Gobal;
Heidar Raissi;
Shokufeh Moghiminia

Publication type:

Article

Microwave-assisted solvent-free synthesis and spectral and structural characterization of cyclotriphosphazene hexakis(o-tolylamide).

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2018, v. 73, n. 12, p. 999, doi. 10.1515/znb-2018-0136

By:

Hakimi, Mohammad;
Rezaei, Homeyra;
Moeini, Keyvan;
Raissi, Heidar;
Eigner, Vaclav;
Dušek, Michal

Publication type:

Article

Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-87011-6

By:

Pasban, Samaneh;
Raissi, Heidar

Publication type:

Article

The effects of electrolyte on the capacitive behavior of nanostructured molybdenum oxides.

Published in:

Journal of Chemical Technology & Biotechnology, 2019, v. 94, n. 12, p. 3800, doi. 10.1002/jctb.6166

By:

Farsi, Hossein;
Moghiminia, Shokufeh;
Raissi, Heidar;
Riley, Andrew;
Li, Zhihai

Publication type:

Article

Investigation of nanotubes as the smart carriers for targeted delivery of mercaptopurine anticancer drug.

Published in:

Journal of Biomolecular Structure & Dynamics, 2022, v. 40, n. 10, p. 4579, doi. 10.1080/07391102.2020.1860823

By:

Zaboli, Maryam;
Raissi, Heidar;
Zaboli, Mahdiye

Publication type:

Article

Understanding dual delivery of doxorubicin and paclitaxel with boron nitride and phosphorene nanosheets as highly efficient drug delivery systems.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 15, p. 5613, doi. 10.1080/07391102.2020.1794968

By:

Hashemzadeh, Hassan;
Raissi, Heidar

Publication type:

Article

Molecular insights into the loading and dynamics of anticancer drugs on silicene and folic acid-conjugated silicene nanosheets: DFT calculation and MD simulation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 11, p. 3892, doi. 10.1080/07391102.2020.1772881

By:

Razavi, Leila;
Raissi, Heidar;
Hashemzadeh, Hassan;
Farzad, Farzaneh

Publication type:

Article

The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment.

Published in:

Journal of Biomolecular Structure & Dynamics, 2021, v. 39, n. 3, p. 881, doi. 10.1080/07391102.2020.1719204

By:

Moradnia, Heidar;
Raissi, Heidar;
Shahabi, Mahnaz

Publication type:

Article

Molecular insight into adsorption affinities of Carmustine drug on boron and nitrogen doped functionalized single-walled carbon nanotubes using density functional theory including dispersion correction calculations and molecular dynamics simulation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 16, p. 4817, doi. 10.1080/07391102.2019.1692071

By:

Khorrampour, Rabeeh;
Raissi, Heidar

Publication type:

Article

Understanding co-loading of doxorubicin and camptothecin on graphene and folic acid-conjugated graphene for targeting drug delivery: classical MD simulation and DFT calculation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 9, p. 2737, doi. 10.1080/07391102.2019.1645044

By:

Alinejad, Abutaleb;
Raissi, Heidar;
Hashemzadeh, Hassan

Publication type:

Article

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2287, doi. 10.1080/07391102.2019.1630004

By:

Shahabi, Mahnaz;
Raissi, Heidar

Publication type:

Article

Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 5, p. 1488, doi. 10.1080/07391102.2019.1611474

By:

Pakdel, Majid;
Raissi, Heidar;
Shahabi, Mahnaz

Publication type:

Article

Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 5, p. 1322, doi. 10.1080/07391102.2019.1602080

By:

Shaki, Hosien;
Raissi, Heidar;
Mollania, Fariba;
Hashemzadeh, Hassan

Publication type:

Article

Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 3, p. 697, doi. 10.1080/07391102.2019.1585951

By:

Hasanzade, Zohre;
Raissi, Heidar

Publication type:

Article

Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 18, p. 4852, doi. 10.1080/07391102.2019.1567385

By:

Mortazavifar, Azam;
Raissi, Heidar;
Shahabi, Mahnaz

Publication type:

Article

Assessment of the chitosan-functionalized graphene oxide as a carrier for loading thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and molecular dynamics simulation studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 10, p. 2487, doi. 10.1080/07391102.2018.1496140

By:

Hasanzade, Zohre;
Raissi, Heidar

Publication type:

Article

A density functional theory-based analysis of the structural, topological and electronic properties of gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 10, p. 2477, doi. 10.1080/07391102.2018.1491892

By:

Moradnia, Heidar;
Raissi, Heidar;
Bakhtiari, Akbar

Publication type:

Article

The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 2, p. 454, doi. 10.1080/07391102.2018.1429312

By:

Khorram, Rabeeh;
Raissi, Heidar;
Morsali, Ali;
Shahabi, Mahnaz

Publication type:

Article

Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method.

Published in:

Journal of Biomolecular Structure & Dynamics, 2018, v. 36, n. 10, p. 2517, doi. 10.1080/07391102.2017.1360209

By:

Shahabi, Mahnaz;
Raissi, Heidar

Publication type:

Article

The influence of nicotine on pioglitazone encapsulation into carbon nanotube: the investigation of molecular dynamic and density functional theory.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 3, p. 520, doi. 10.1080/07391102.2016.1152565

By:

Zaboli, Maryam;
Raissi, Heidar

Publication type:

Article

Economical Oxygenation of Olefins and Sulfides Catalyzed by New Molybdenum(VI) Tridentate Schiff Base Complexes: Synthesis and Crystal Structure.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2012, v. 638, n. 6, p. 1023, doi. 10.1002/zaac.201200079

By:

Rezaeifard, Abdolreza;
Jafarpour, Maasoumeh;
Raissi, Heidar;
Alipour, Mahboubeh;
Stoeckli-Evans, Helen

Publication type:

Article

A comprehensive study of the structure, tautomeric properties, and conformational flexibility of 3-Hydroxy-propeneselenal.

Published in:

Journal of Chemical Sciences, 2015, v. 127, n. 6, p. 999, doi. 10.1007/s12039-015-0856-4

By:

YOOSEFIAN, MEHDI;
RAISSI, HEIDAR;
SOHEILI, SAEEDEH

Publication type:

Article

Theoretical study on β-aminoacroleine; Density functional theory, atoms in molecules theory and natural bond orbitals studies.

Published in:

Journal of Chemical Sciences, 2012, v. 124, n. 3, p. 731, doi. 10.1007/s12039-011-0212-2

By:

RAISSI, HEIDAR;
YOOSEFIAN, MEHDI;
MOSHFEGHI, EFFAT;
FARZAD, FARZANEH

Publication type:

Article

The scrutinised DFT and MD studies on the adsorption of D-penicillamine drug on γ-Fe2O3 nanoparticle as a highly efficient carrier.

Published in:

Molecular Simulation, 2020, v. 46, n. 5, p. 408, doi. 10.1080/08927022.2020.1716979

By:

Khorrampour, Rabeeh;
Raissi, Heidar;
Shaki, Hosien;
Morsali, Ali;
Hashemzadeh, Hasan

Publication type:

Article

Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs.

Published in:

Molecular Simulation, 2020, v. 46, n. 2, p. 111, doi. 10.1080/08927022.2019.1679363

By:

Ghadri, Zahra;
Raissi, Heidar;
Shahabi, Mahnaz;
Farzad, Farzaneh

Publication type:

Article

DFT and MD study of adsorption sensitivity of aluminium phosphide nanotube towards some air pollutant gas molecules.

Published in:

Molecular Simulation, 2017, v. 43, n. 9, p. 675, doi. 10.1080/08927022.2017.1295453

By:

Zaboli, Maryam;
Raissi, Heidar

Publication type:

Article

Advanced porous covalent organic framework (COF) materials for the capture of alizarin dye and its derivatives from the aquatic environment.

Published in:

Applied Water Science, 2024, v. 14, n. 8, p. 1, doi. 10.1007/s13201-024-02242-y

By:

Nakhaei, Alireza;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

Design of new drug delivery platform based on surface functionalization of black phosphorus nanosheet with a smart polymer for enhancing the efficiency of doxorubicin in the treatment of cancer.

Published in:

Journal of Biomedical Materials Research, Part A, 2021, v. 109, n. 10, p. 1912, doi. 10.1002/jbm.a.37183

By:

Hashemzadeh, Hassan;
Raissi, Heidar

Publication type:

Article

Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-98597-2

By:

Zaboli, Ameneh;
Raissi, Heidar;
Farzad, Farzaneh

Publication type:

Article

Evaluation the synergistic antitumor effect of methotrexate–camptothecin codelivery prodrug from self‐assembly process to acid‐catalyzed both drugs release: A comprehensive theoretical study.

Published in:

Journal of Computational Chemistry, 2020, v. 41, n. 16, p. 1486, doi. 10.1002/jcc.26192

By:

Pakdel, Majid;
Raissi, Heidar;
Hosseini, Seyede T.

Publication type:

Article

Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug.

Published in:

Adsorption, 2020, v. 26, n. 6, p. 925, doi. 10.1007/s10450-019-00056-y

By:

Kamel, Maedeh;
Raissi, Heidar;
Morsali, Ali;
Mohammadifard, Kamal

Publication type:

Article

Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier.

Published in:

Adsorption, 2020, v. 26, n. 6, p. 879, doi. 10.1007/s10450-019-00142-1

By:

Dastani, Najme;
Arab, Ali;
Raissi, Heidar

Publication type:

Article

Understanding the role of hydrogen bonds in destruction of DNA by screening interactions of Flutamide anticancer drug with nucleotides bases: DFT perspective, MD simulation and free energy calculation.

Published in:

Adsorption, 2020, v. 26, n. 3, p. 491, doi. 10.1007/s10450-019-00179-2

By:

Kamel, Maedeh;
Raissi, Heidar;
Hashemzadeh, Hassan;
Mohammadifard, Kamal

Publication type:

Article

A strategy to improve the adsorption capacity of OPs-dye pollutants from the aqueous environment using adsorbents based on 2D transition metal carbides (V2CTx).

Published in:

Applied Water Science, 2025, v. 15, n. 1, p. 1, doi. 10.1007/s13201-024-02331-y

By:

Bina, Ali;
Raissi, Heidar

Publication type:

Article