Publications Internationales
2021
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
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
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. 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/s10847-019-00948-0
8. 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-Sa´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=S0872-19042018000100003
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/jtice
7. 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.
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,
