Publications Internationales
2023
1. Imane Djellala, Nora Merabet, Leila Nouar, Fatiha Madi, Abdelkrim Guendouzi, Abdelaziz Bouhadiba,"Host–guest inclusion systems of vanillic acid into α-cyclodextrin: structures, electronic properties, QTAIM, NCI and IGM analyses with dispersion corrected calculations",Pages 1-15,Journal of Polycyclic Aromatic Compounds . https://doi.org/10.1080/10406638.2023.2202866
2. Sonia Badi, Fatiha Madi, Leila Nouar, abdelhak Gheid, "Effect of cyclodextrins inclusion complexes into absorption and emission spectra of P-methylaminobenzoate derivatives: A DFT and TD-DFT investigation", Volume 33, Pages 1457-1467, Journal of Fluorescence.
3. A Antony Muthu Prabhu, Fatiha Madi, Nouar Leila, GS Suresh Kumar, K Sathiyaseelan,"Structural Aspects and Stability of Interactions between Phenyl-3, 3'-Bis (Indolyl) Methanes and β-Cyclodextrin from Density Functional Theor", Volume 43, Pages 5276-5298,Polycyclic Aromatic Compounds. https://doi.org/10.1080/10406638.2022.2101490
4. B Gassoumi, AM Ahmed Mahmoud, S Nasr, Arzu Karayel, Sevil Özkınalı, ME Castro, FJ Melendez, M Mahdouani, L Nouar, F Madi, H Ghalla, R Bourguiga, R Ben Chaabane, Y Zhou,"Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis", Volume 309, 1 November 2023,128364Materials Chemistry and Physics. https://doi.org/10.1016/j.matchemphys.2023.128364
5- Chekatti Leyla, Madi Fatiha, Nouar Leila, Oumeddour Rabah," Solubility and Antioxidant Activity of 1,2-Dihydro-2-Methyl-2-Phenyl-3H-Indole-3-One-1-Oxyl Hosted at Randomly Methylated-Βétacyclodextrin: A Computational Investigation",Volume 43, Pages 8217-8229, Polycyclic Aromatic Compounds. https://doi.org/10.1080/10406638.2022.2146148
6- Amina Benaissa, Abdelaziz Bouhadiba, Noura Naili, Faiza Chekkal, Malika Khelfaoui, Ibtissem Bouras, Mohamed Salah Madjram, Bachir Zouchoune, Sulaiman Mogalli, Najran Malfi, Leila Nouar, Fatiha Madi," Computational investigation of dimethoate and β-cyclodextrin inclusion complex: molecular structures, intermolecular interactions, and electronic analysis",Volume 34, Pages 1189-1204, | Structural Chemistry (springer.com).
7- Arumugam Praveena, Samikannu Prabu, Fatiha Madi, Rajaram Rajamohan," Theoretical investigation of inclusion complexes of 3-hydroxyflavone and quercetin as guests with native and modified β-cyclodextrins as hosts, Volume 43, Pages 141-153, Polycyclic Aromatic Compounds. https://doi.org/10.1080/10406638.2021.2009526
8. Boulanouar Messaoudi, Mouna Cheriet, Rayenne Djemil, Djameleddine Khatmi̇," Quantum investigation of the reaction between triplet oxygen O (3P) atom and butadiene", Volume 7, Pages 1-11, Turkish Computational and Theoretical Chemistry. https://doi.org/10.33435/tcandtc.1144794
9. Bochra Bencheikh, Mouna Cheriet, Rayenne Djemil, Djameleddine Khatmi,"In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation", Volume 43,Pages 5103-5115, Polycyclic Aromatic Compounds.https://doi.org/10.1080/10406638.2022.2097279
2022
1. Amina Benaissa, Abdelaziz Bouhadiba, Noura Naili, Faiza Chekkal, Malika Khelfaoui, Bouras Ibtissem, Mehri Karima, Mohamed Salah Madjram, Bachir Zouchoune, Sulaiman Mogalli, Najran Malfi, Leila Nouar, Fatiha Madi," Computational investigation of dimethoate and β-Cyclodextrin inclusion complex: molecular structures, intermolecular interactions and electronic analysis",057187ca-a84e-4792-9752-8ab3ddba3b70.pdf (researchsquare.com)
2. B.Gassoumi, N.Aouled Dlala, M.Echabaane, AKarayel, S.Özkınalı, M E Castro, F.J Melendez,H Ghalla, L Nouar, F Madi,R. Ben Chaabane, "Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights, Volume 8, Issue 12, December 2022, e12387, https://doi.org/10.1016/j.heliyon.2022.e12387
3. Rajaram Rajamohan, Sonaimuthu Mohandoss, Sekar Ashokkumar, Fatiha Madi, Nouar Leila, Kuppusamy Murugavel, Yong Rok Lee, “A novel and water-soluble material for coronavirus inactivation from oseltamivir in the cavity of methyl and sulfated-β-cyclodextrins through inclusion complexation”,Volume 221 , Pages 115057, Journal of pharmaceutical and biomedical analysis, https://doi.org/10.1016/j.jpba.2022.115057
4. Rajaram Rajamohan, Sonaimuthu Mohandoss, Sekar Ashokkumar, Eun Ha Choi, Fatiha Madi, Nouar Leila, Yong Rok Lee,” Water-soluble inclusion complexes for a novel anti-viral agent with low toxicity; Oseltamivir with the β-cyclodextrins”, Volume 366, Pages 120297, Journal of Molecular Liquids, https://doi.org/10.1016/j.molliq.2022.120297
5. Bouzid Gassoumi, Najet Aouled Dlala, Mosaab Echabaane, Houcine Ghalla, Yang Zhou, María Eugenia Castro, Francisco Javier Melendez, Nouar Leila, Fatiha Madi, Rafik Ben Chaabane,” Adsorption of toxic and non-toxic metals with new model of CX [4]: Experimental and computational investigation, Spectroscopic, QTAIM, and Antibacterial activity analyses”, Volume 1268, Pages 133618, Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2022.133618
6. Rajaram Rajamohan, Moorthiraman Murugan, Arumugam Anitha, Yong Rok Lee, Fatiha Madi, Nouar Leila, Muthusamy Viswalingam,” Interaction of chloroquine with 2-(hydroxypropyl)-β-cyclodextrin through the supramolecular assembly for cytotoxicity on breast cancer cell lines”, Volume 153, pages 1171–1184 (2022), Monatshefte für Chemie-Chemical Monthly, https://link.springer.com/article/10.1007/s00706-022-02986-w
7. Karima Belguidoum, Yamina Boulmokh, Fatima Zahra Hamamdia, Fatiha Madi, Leila Nouar, Habiba Amira-Guebailia, “Tetradentate square-planar acetylumbelliferone–nickel (II) complex formation: a DFT and TD-DFT study”, Volume 141, Pages 1-12, Journal of Theoretical Chemistry Accounts, https://link.springer.com/article/10.1007/s00214-022-02903-8
8. A Antony Muthu Prabhu, Fatiha Madi, Nouar Leila, GS Suresh Kumar, K Sathiyaseelan, “Structural Aspects and Stability of Interactions between Phenyl-3, 3'-Bis (Indolyl) Methanes and β-Cyclodextrin from Density Functional Theory’’, Pages 1-23, Journal of Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2022.2101490
9. B Gassoumi, A Mehri, H Hammami, ME Castro, A Karayel, S Özkınalı, FJ Melendez, L Nouar, F Madi, H Ghalla, R Ben Chaabane, H Ben Ouada, “Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation”, Volume 278, Pages 125555, Journal of Materials Chemistry and Physics, https://doi.org/10.1016/j.matchemphys.2021.125555
10. Kadri Rayene, Djellala Imane, Bouhadiba Abdelaziz, Nouar Leila, Madi Fatiha, Guendouzi Abdelkrim, Gassoumi Bouzid, Lafifi Ismahan, Houari Brahim, Oumeddour Rabah, “Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations”, Volume 1249, Pages 131565, Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2021.131565
11. B Gassoumi, M Echabaane, FE Ben Mohamed, L Nouar, F Madi, A Karayel, H Ghalla, ME Castro, FJ Melendez, S Özkınalı, A Rouis, R Ben Chaabane, “Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations”, Volume 264, Pages 120242, Journal of Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, https://doi.org/10.1016/j.saa.2021.120242
12. Bochra Bencheikh, Mouna Cheriet, Rayenne Djemil, Djameleddine Khatmi, “In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation”, Pages 1-13, Journal of Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2022.2097279
13. Bouzid Gassoumi, Najet Aouled Dlala, Mosaab Echabaane, Houcine Ghalla, Yang Zhou, María Eugenia Castro, Francisco Javier Melendez, Nouar Leila, Fatiha Madi, Rafik Ben Chaabane, “Adsorption of toxic and non-toxic metals with new model of CX [4]: Experimental and computational investigation, Spectroscopic, QTAIM, and Antibacterial activity analyses”, Volume1268, Pages 133618, Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2022.133618
14. Soufiane Benreka, Fatima-Zohra Zradni, Fatiha Madi, Gilbert Kirsch, Souad Kasmi-Mir, "Synthesis of thiazolylidenethiazoloquinazolinone hybrids from monocarbonyl curcumin analogues. Characterization, bio-evaluation and DFT study", Volume 43, Numéro 1, Pages 53-77,Journal of Sulfur Chemistry , https://doi.org/10.1080/17415993.2021.1971669
2021
1. Mouna Cheriet, Rayenne Djemil, Ammar Khellaf & Djameleddine Khatmi," Dopamine Family Complexes With β-Cyclodextrin: Molecular Docking Studies", Journal of Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2021.1970588
2. B. Gassoumi , F.E. Ben Mohamed, M.E. Castro, F.J. Melendez , A. Karayel , L. Nouar , F. Madi ,H. Ghalla , S. Özkınalı , V.I. Kovalenko , R. Ben Chaabane , H. Ben Ouada, " In silico exploration of O-H. . .X2+ (X = Cu, Ag, Hg) interaction, targetedadsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model, 334 (2021) 116127, Journal of Molecular Liquids, https://doi.org/10.1016/j.molliq.2021.116127
3. Oukacha Guendouzi, Leila Nouar, Abdelkrim Guendouzi,Fatiha Madi,Mostefa Boumediene, Fatima Yahia Cherif,Amina Hendi,imane Djellala, and
Mohammed Elkeurti, " Conformational Investigation of the Encapsulation of Nicotinic Acid Into β-Cyclodextrin", Journal of Organic & Supramolecular Chemistry, https://doi.org/10.1002/slct.202100197
4. Elhassasna Souhir, Harkati Brahim, and Hadjar Samah," Electrochemical and Theoretical Studies of Inula viscosa Extract as Green Corrosion Inhibitor for Mild Steel in Hydrochloric Acid Solution", ISSN: 1662-9507, Vol. 406, pp 406-418, Journal of Defect and Diffusion Forum, doi:10.4028/www.scientific.net/DDF.406.406
5. Y. Mezari, L. Nouar, F. Madi, A. Guendouzi, I. Djellala, I. Lafifi, R. Merdes,A. Bouhadiba, B. Houari, " Theoretical investigation of inclusion complex of 2-methyl mercapto phenothiazinewith hydroxy propyl β-cyclodextrin by DFT approaches", Volume 53, Issue 2 (pp. 196 - 210) 2021, Bulgarian Chemical Communications, DOI: 10.34049/bcc.53.2.5329
6. Amrani Salma, Madi Fatiha, Nouar Leila," Effect of solvent on absorption and emission spectra of 2,2’-Bipyridine and its inclusion complexinto β-cyclodextrin: DFT and TD-DFT study", Journal of Computational & Theoretical Chemistry ,https://doi.org/10.1016/j.comptc.2021.113481
7. Gheribi Meryem,Ksouri Rabah,Madi Fatiha,Nouar Leila,Bouhadiba AbdelAziz,Djellala Imane, Merdes Rachid ," Computational investigation of vanillin@βéta-cyclodextrin inclusion complex: Electronic and intermolecular analysis",Volume 321, 1 January 2021, 114839, Journal of Molecular Liquids, https://doi.org/10.1016/j.molliq.2020.114839
8. Arumugam Praveena, Samikannu Prabu, Fatiha Madi, Rajaram Rajamoha," Theoretical Investigation of Inclusion Complexes of 3-Hydroxyflavone and Quercetin as Guests with Native and Modified β-Cyclodextrins as Hosts",Journal of Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2021.2009526
2020
1. Lafifi Ismahan , Nouar Leila , Madi Fatiha , Guendouzi Abdelkrim , Cheriet Mouna ,Boulaha Nada , Houari Brahim," Computational study of inclusion complex of L- Glutamine/betaCycldextrin: Electronic and intermolecular interactions investigations", Volume 1206, 2020, p.127740, Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2020.127740
2. Himri Safia , Madi Fatiha , Bezzina Belgacem , Nouar Leila," The inclusion behavior of 8-Anilino-1-naphthalene sulfonate into Cucurbit[7]uril: A DFT approach", Volume 1217, 5 October 2020, 128390,Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2020.128390
3. Djellala Imane , Nouar Leila , Madi Fatiha , Guendouzi Abdelkrim , Cheriet Mouna , Lafifi Ismahan , Bouhadiba Abdelazize , Houari Brahim, " Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit[n]urils (n = 7,8) using DFT-D3 correction dispersion", Volume 309, 1 July 2020, 113233, Journal of Molecular Liquids, https://doi.org/10.1016/j.molliq.2020.113233
4. Djamel Eddine Khatmi, Belgacem Bezzina, Stéphane Humbel," Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD ",96, pages373–379 (2020), Journal of Inclusion Phenomena and Macrocyclic Chemistry, https://doi.org/10.1007/s10847-020-00976-1
5. Mohammed Tayeb ABEDGHARS , Mokhtar GHERS , Salah BOUHOUCHE [, Belgacem BEZZINA, "Characterization of iron ore and scale for synthesizing vinyl paint",(2020) 162: 1-9, Bulletin of the Mineral Research and Exploration, https://doi.org/10.19111/bulletinofmre.604081
6. Moorthiraman Murugan, Rajaram Rajamohan, Arumugam Anitha, Madi Fatiha, " Non-Covalent Bonding Interaction between Primaquine as Guest and 2-(Hydroxypropyl)-β-Cyclodextrin as Host", Pages :1-18 (2020), Journal Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2020.1813181
7. Abdelaziz Bouhadiba,Seyfeddine Rahali,Youghourta Belhocine,Hamza Allal,Leila Nouar,Mohamed Rahim, " Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations", Volume 491, May 2020, 107980, Journal Carbohydrate Research, https://doi.org/10.1016/j.carres.2020.107980
8. Merabet Nora, Laff Ismahan, Guendouzi Abdelkrim, Cheriet Mouna, Nouar Leila,Madi Fatiha, Boulaha Nada, Houari Brahim, " Interactions in inclusion complex of β‑cyclodextrin/l‑Metheonine: DFT computational studies", ISSN: 1388-3127, Journal of Inclusion Phenomena and Macrocyclic Chemistry. DOI https://doi.org/10.1007/s10847-019-00948-
9. Moorthiraman Murugan, Rajaram Rajamohan, Arumugam Anitha, Madi Fatiha, "Non-Covalent Bonding Interaction between Primaquine as Guest and 2-(Hydroxypropyl)-β-Cyclodextrin as Host", Journal of Polycyclic Aromatic Compounds, https://doi.org/10.1080/10406638.2020.1813181
2019
1. A. S. Athmani, F. Madi, I. Laafifi,M. Cheriet, N. Issaoui, L. Nouar,and R. Merdes, " DFT INVESTIGATION OF A CHARGE-TRANSFER COMPLEX FORMATION BETWEENp- PHENYLENEDIAMINE AND 3,5-DINITROSALICYLIC ACI ", ISSN 0022-4766, 2019, Vol. 60, No. 12, pp. 1906-1916, Journal of Structural Chemistry,https://doi.org/10.1134/S0022476619120060
2. Belgacem Bezzina, Rayenne Djemil, Nadjia Bensouilah, "Quantitative and qualitative analyses of intermolecular interactions in neutral/deprotonated aspirin@ β-CD inclusion complexes: QTAIM and NBO analyses" , Volume 138, Pages 43, ISSN: 1432-2234, Journal of Theoretical Chemistry Accounts, https://doi.org/10.1007/s00214-019-2429-y
3. Houria Bouchemela,, Fatiha Madi, Leila Nouar, " DFT investigation of host–guest interactions between α‑Terpineol and β‑cyclodextrin", Journal of Inclusion Phenomena and Macrocyclic Chemistry, https://doi.org/10.1007/s10847-019-00940
4. Nassiba Hayet-Eddine Hadj Kouider , Souad Kasmi-Mir , Philippe Pierrat ,Pierre Magri , Fatiha Madi , Gilbert Kirsch," Synthesis and optical properties of novel thermally stablebis-merocyanine dyes ", Volume 1188 (2019) Pages 185-195 , Journal of Molecular Structure, http://www.elsevier.com/locate/molstruc
5. HIMRI Safia, LAFIFI Ismahan, GUENDOUZI Abdelkrim, CHERIET Mouna, NOUAR Leila, MADI Fatiha (2019),"Density functional theories study of the interactions between host β-Cyclodextrin and guest 8-Anilinonaphthalene-1-sulfonate: Molecular structure, HOMO, LUMO, NBO, QTAIM and NMR analyses",Volume 280, Pages 218-229, ISSN : 0167-7322, Journal of Molecular Liquids. https://doi.org/10.1016/j.molliq.2019.01.019
6. Samia Amirat, Fatiha Madi, Mohamed Bououdina, Abdelhak Gheid, Amal Zaboub, Leila Nouar, Rachid Merdes,"Computational study on intermolecular charge transfer complex of 2,2'-bipyridine with picric acid: TD-DFT, NBO and QTAIM analysis", Volume 6, ISSN: 2053-1591, Journal of Materials Research Express. DOI: 10.1088/2053-1591/ab1507
7. M. T. Abedghars,H. Ferdenache, M. Ghers,B. Bezzına,F. Z. Gasmı,L. Taırı, A. Boukar," Synthesis and characterization of a protective coating against corrosion based on scale and iron pigment", Volume: 1Issue: 12, Article Number: 1681,Published: DEC 2019, journal of SN APPLIED SCIENCES 2019, DOI: 10.1007/s42452-019-1741-4
2018
1. A. Antony Muthu Prabhu, Madi Fatiha• Nouar Leila,T. Anantha Raj , Inmaculada Navarro-Gonza´lez, Maria Jesu´s Periago, Maria Josefa Ya´n˜ez-Gasco´n, Horacio Pe´rez-´nchez (2018), " Investigation of 3D Contour Map and Intermolecular Interaction of Dopamine with b-Cyclodextrin and 2-Hydroxypropyl-b-cyclodextrin" , Volume 47, Issue 3, pp 409–429, ISSN: 0095-9782 (Print) 1572-8927 (Online), Journal of Solution Chemistry. https://doi.org/10.1007/s10953-018-0728-x
2. A. Antony Muthu Prabhu , Madi Fatiha, B. Sivaraman , Maria Josefa Yáñez-Gascón , Horacio Pérez-Sánchez (2018), " Effect of natural and modified cyclodextrins on the excited state proton transfer of 7-hydroxy-4-methylcoumarin " , Volume 268, Pages 911-924, Journal of Molecular Liquids. https://www.sciencedirect.com/science/article/pii/S0167732218310602?via%3Dihub
3. Youghourta Belhocine,Abdelaziz Bouhadiba,Mohamed Rahim,Leila Nouar, Imene Djilani, and Djamel Eddine Khatmi (2018), " Inclusion Complex Formation of β-Cyclodextrin with the Nonsteroidal Anti-inflammatory Drug Flufenamic Acid: Computational Study" , Volume 11(2).Pages 203-209, ISSN:1998953, Journal Macroheterocycles. https://macroheterocycles.isuct.ru/en/mhc170829b
4. Belgacem Bezzina,Rayenne Djémil,;Djamel eddine Khatmi, Stéphane Humbel, Yannick Carissan (2018)," Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in β-cyclodextrin ",Volume 92, Issue 1–2, pp 115–127, ISSN: 1388-3127 (Print) 1573-1111 (Online), Journal of Inclusion Phenomena and Macrocyclic Chemistry. https://doi.org/10.1007/s10847-018-0822-0
5. Nigri Soraya, Djemil Rayenne, Messaoudi Boulanouar and Oumeddour Rabaha (2018), " Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants ", Volume 36(1), Pages23-34, ISSN 0872-1904, Journal Portugaliae Electrochimica Acta, http://www.scielo.mec.pt/scielo.php?script=sci_arttext&pid=S087219042018000100003
6. Fatima Mzyène, Saâd Moulay, Kheireddine Bal, Fatiha Madi (2018), " Biomimetic approach towards the preparation of hydroxyapatite and hydroxyapatite/chitosan/β-cyclodextrin nanoparticles: application to controlled drug release ", Volume 92, Issue 3–4, pp 381–394, ISSN: 1388-3127 (Print) 1573-1111 (Online), Journal of Inclusion Phenomena and Macrocyclic Chemistry, https://link.springer.com/article/10.1007%2Fs10847-018-0842-9
2017
1. Hassina ATTOUI YAHIA, Ouassila ATTOUI YAHIA, Djemeleddine KHATMI, Roubila BELGHICHE, Amel BOUZITOUNA , “ Quantum Chemical Investigations on Hydrogene Bonding Interactions Established in the Inclusion Complex Beta - Cyclodextrin/ Benzocaine Through The DFT AIM and NBO Approaches” 2017, Journal of inclusion phenomenon and macrocyclic chemistry
2. Abdelaziz BOUHADIBA, Youkhourta BELHOCINE, Mohamed RAHIM, Imene DJILANI, Leila NOUAR, Djameleddine KHATMI, ” Host - Guest Interaction Between Tyrosine and Beta- Cyclodextrin: Molecular Modeling and nuclear studies”, 233 (2017) 358-363, Journal of Molecular Liquids. URL :http://www.elsevier.com/locate/molliq
3. Mouna CHERIET, Fatiha MADI, Leila NOUAR, Ismahan LAFIFI, Safia HIMRI, Nora MERABET, Djameleddine KHATMI (2017), “ A DFT Study of Inclusion Complexes of the Antituberculosis Drugs Pyrazinamide and Isoniazid with cucurbit [7]uril”, Volume 89, Issue 1–2, pp 127–136.ISSN: 1388-3127 (Print) 1573-1111 (Online) , Journal of inclusion phenomenon and macrocyclic chemistry. URL : https://doi.org/10.1007/s10847-017-0738-0
4. Moukhtari Abdelaali, Madi Fatiha , Nouar Leila, Merabet Nora, Cheriet Mouna,Haiahem Sakina, Khatmi Djamel Eddine, ” Computational approach in the study of the inclusion processes of Thymol with β-cyclodextrin”, 242 (2017) 714–721, Journal of Molecular Liquids. URL :http://www.elsevier.com/locate/molliq
2016
1. Mansour MOHAMED BOUNABA, KHATMI Djameleddine, Humbel Stephane, Rayenne DJÉMIL,MADI Fatiha, NOUAR Leila, ”Molecular dynamics and quantum mechanics study of the[2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex” 222 (2016) 777–782. ISSN:01677322. Volume 222. Journal of Molecular Liquids. URL :http://www.elsevier.com/locate/molliq
2. Amal ZABOUB,,Fatiha MADI, Rachid MERDES, Messaouda MOHAMEDI, Leila NOUAR, ” A combined DFT and experimental study of proline/β-cyclodextrin inclusion complex” 216 (2016) 716–723. ISSN:01677322. Journal of Molecular Liquids. URL :http://www.elsevier.com/locate/molliq
3. Lahcene Abdelmalek, MADI Fatiha, NOUAR Leila, Cheriet Mouna, MERABAT Nora, KHATMI Djameleddine, ” Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis ” 224 (2016) 62–71. ISSN:01677322 .Journal of Molecular Liquids. URL :http://www.elsevier.com/locate/molliq
2015
1. Zekri Kamel Eddine, MADI Fatiha, Zaboub Amal, NOUAR Leila, Merdes Rachid, “Investigation of the inclusion complex of tolfenamic acid with β -cyclodextrin: Geometry and NBO analysis”. Comptes Rendus Chimie. http://www.sciencedirect.com
2. Ouassila Attoui-Yahia, Djameleddine Khatmi, Khairedine Kraim, Fouad Ferkous, “Hydrogen bonding investigation in Pyridoxine/ β –cyclodextrin complex based on QTAIM and NBO approaches”. Journal of the Taiwan Institute of Chemical Engineers. http://www.elsevier.com/locate/jtice
3. Rayenne Djemil, Ouassila Attoui-Yahia, and Djameleddine Khatmi, “DFT-ONIOM study of the dopamine –β -CD complex: NBO and AIM analysis”. http://Canadienne de Chimie
4. Imene Djilani, Fatiha Madi, Leila Nouar, Sakina Haiahem, Mohamed Rahim, Djamel Eddine Khatmi, Abdelaziz Bouhadiba, “Theoretical investigation to characterize the inclusion complex of a-lipoic acid and β -cyclodextrin”. Comptes Rendus Chimie . http:// www.sciencedirect.com
5. Merabet Nora, Madi Fatiha, Nouar Leila, Haiahem Sakina, Khatmi DjamelEddine, “Density functional study of inclusion complex of Albendazole/cucurbit [7]uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis”. Journal of Molecular Liquids. http:// www.elsevier.com/locate/molliq
6. Madi Fatiha, Bounefla Faiza, Kirati Ichraf, Nouar Leila, Khatmi Djamel Eddine, “ TD-DFT calculations of visible spectra and structural studies of carbendazim inclusion complex with cucurbit[7]uril ”. Journal of the Taiwan Institute of Chemical Engineers. http://www.elsevier.com/locate/jtice7. A. Antony Muthu Prabhu, G.S. Suresh Kumar, Madi Fatiha, S. Sorimuthu M. Sundar Raj “Encapsulation of phenylalanine and 3,4-dihydroxyphenylalanine into β -cyclodextrin: Spectral and molecular modeling studies”. Journal of Molecular Structure. http:// www. elsevier.com/locate/molstruc
2014
1. I. LAFIFI, D. KHATMI , “Chapter 13-Theoretical Investigation of the Intramolecular H-Bonding on Tautomerism”. Volume 68 (2014), Pages 257-268, Advances in Quantum Chemistry. http://www.elsevier.com/locate/permissionusematerial
2. I. DJILANI, L. NOUAR, F. MADI, S. HAIAHEM, A. BOUHADIBA, D. KHATMI, “Chapter 15- Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β- Cyclodextrin”. Volume 68 (2014), Pages 279-291, Advances in Quantum Chemistry. http: //www.elsevier.com/locate/permissionusematerial
3. M. RAHIM, F. MADI, L. NOUAR, S. HAIAHEM, D. FATEH, D. KHATMI, “Chapter 14- β- Cyclodextrin Interaction with Edaravone Molecular Modeling Study”. Volume 68 (2014), Pages 269-278, Advances in Quantum Chemistry .http://www.elsevier.com/locate/permissionusematerial
4. Mouhamed Rahim, Fatiha Madi, Leila Nouar, Abdelazize Bouhdiba, Sakina Haiahem, Djemeleddine Khatmi, Youghourta Belhocine. “Driving Forces and Electronic Structure in β- Cyclodextrin/3,3΄Diaminodiphenylsulphone Complex”. Volume 199 (2014), Pages 501-510, Journal of Molecular Liquids. http://www.elsevier.com/locate/molliq
5. Lachi Nadia, Khatmi Djameleddine, Djémil Rayenne, " Theoretical Study of Inclusion Processes of Octopamine with β- Cyclodextrin : PM6, ONIOM, and NBO analysis ”. Volume 17, Issue 12 (2014), Pages 1169 -1175, Comptes Rendus Chimie. http:// www.sciencedirect.com
6. Largate Leila, Madi Fatiha, Khatmi Djameleddine, Nouar Leila, “Investigation of the Inclusion Processes of N-Acetyl-4-Aminophenol with Me- β- Cyclodextrin; A Computational Study”. Volume 45, Issue 2 (2014), Pages 387-392, Journal of the Taiwan Institute of Chemical Engineers. http://www.elsevier.com/locate/jtice
2013
1. Sakina HIAHEM, Leila NOUAR, Imen DJILANI, Abdelaziz BOUHDIBA, Fatiha MADI and KHATMI Djameleddine,"Host-Guest complex between b-cyclodextrin and paeonol: a theoretical approach". 16 (2013) 372-379 Comptes Rendus Chimie. http://www.sciencedirect.com
2. BOUHDIBA Abdelaziz, NOUAR Leila, HAIAHEM Sakina, DJILANI Imen, MADI Fatiha and KHATMI Djameleddine, "Theoretical investigation study based on PM3MM and ONIOM2 calculations of b cyclodextrin complexes with diphenylamine".
3. DJILANI Imen, NOUAR Leila, MADI Fatiha, Bouhdiba Abdelaziz and KHATMI Djameleddine, "Inclusion complexes of ortho-anisidine and b-cyclodextrin: a quantum mechanics calculations". 16 (2013) 696-703, Comptes Rendus Chimie. http://www.sciencedirect.com
4. MADI Fatiha, KHATMI Djameleddine, NOUAR Leila and LARGATE Leila, "Computational study on the encapsulation of ethyl paraben into b-cyclodextrin". 76 (2013) 379-384. Journal of inclusion phenomenon and macrocyclic chemistry
5. MADI Fatiha, KHATMI Djameleddine and LARGATE Leila,"Computational investigation of enol/ketol chlorampenicol with b-cyclodextrin". 77 (2013) 421-427, Journal of inclusion phenomenon and macrocyclic chemistry
2012
1. MADI fatiha, LARGATE Leila, NOUAR Leila and KHATMI djameleddine, "Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with ß-cyclodextrin: PM3MM and ONIOM2 calculations".43 (2012) 868-872, Journal of the Taiwan institute of chemical engineers. http://www.elsevier.com/locate/jtice
2. HAIAHEM sakina, BOUHDIBA abdelaziz, NOUAR Leila, DJILANI Imen, MADI Fatiha and KHATMI djameleddine.”Molecular docking study on ß-cyclodextrin interactions of metobromuron and [3-(p-bromophenyl)-1-methoxy-1-methylurea]”.74(2012) 191-200, Journal of inclusion phenomenon and macrocyclic chemistry.
3. BENGHODBANE Soraya and KHATMI Djameleddine, "A theoretical study on the inclusion complexation of doxycycline with Crysmeb.,15 (2012) 371-377. Comptes Rendus Chimie. http://www.sciencedirect.com
4. Samah HADJAr and KHATMI Djameleddine," Electronic structure and H-bond interactions in b/cyclodextrin / piroxicam complex".volume 9,(2012) 1-6 . Journal of computational and theoretical Nanoscience
5. DJEMIL Rayenne and KHATMI Djameleddine."Quantum mechanical study of complexation of dopamine and epinephrine with b-cyclodextrin using PM6, ONIOM2 and NBO".9 (2012) 1571-1576. Journal of computational and theoretical Nanoscience
6. Nassima MALAM, Djameleddine KHATMI, Salah eddine AZZOUZ, Soraya BENGHODBANE and ATTOUI Ouassila Yahia, "Computational studies of 1:2 complex between retinol propionate and b cyclodextrin". 73 (2012) 305-312. Journal of inclusion phenomenon and macrocyclic chemistry,
