University of 08 Mai 1945

Guelma, Algeria

University of 08 Mai 1945

Guelma, Algeria

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Bouhadiba A.,University of 08 Mai 1945 | Belhocine Y.,University of Mentouri Constantine | Rahim M.,University of 08 Mai 1945 | Djilani I.,University of 08 Mai 1945 | And 2 more authors.
Journal of Molecular Liquids | Year: 2017

Host–guest interactions of tyrosine with β-cyclodextrin have been investigated by the semiempirical methods PM7, PM6 and its modern variants, PM6-DH2, PM6-D3H4, and the ONIOM2 hybrid approach and density functional theory with the B3LYP functional. Two models were assessed for the encapsulation of tyrosine in the cavity of β-cyclodextrin. The results obtained with semiempirical models clearly indicate that the complexation process with the A model (Tyrosine enters into the cavity of β-CD from its wide side by hydroxyl phenolic group) is energetically favored than that of the B model (Tyrosine penetrates the β-CD cavity from its wide side by carboxylic group), the preference is greater in the case of ONIOM2 calculations. In addition, NBO analysis reveals that mutual interactions between donor and acceptor orbital of tyrosine and β-CD play an important role to the stabilization of such complex. Finally, 1H Nuclear Magnetic Resonance (NMR) chemical shifts of free and complexed tyrosine were calculated by the gauge-including atomic orbital (GIAO) method and compared with available experimental data. © 2017 Elsevier B.V.


Haiahem S.,University of 08 Mai 1945 | Nouar L.,University of 08 Mai 1945 | Djilani I.,University of 08 Mai 1945 | Bouhadiba A.,University of 08 Mai 1945 | And 2 more authors.
Comptes Rendus Chimie | Year: 2013

Host-guest interactions of β-cyclodextrin (β-CD) with paeonol (PAE) were simulated using semi-empirical PM3 and both ONIOM2 [(B3LYP/6-31G*:PM3), (HF/6-31G*:PM3)] methods. The results obtained with PM3 method clearly indicate that the complexes formed are energetically favored with or without solvent, the model 1 (PAE entering into the cavity of β-CD from its wide side by OCH3 group) is found more favored than the model 2 (PAE entering into the cavity of β-CD from its wide side by COCH3 group). Finally, natural bonding orbital (NBO) analysis was performed based on ONIOM2 optimized complexes to quantify the donor-acceptor interactions between PAE and β-CD. © 2012 Académie des sciences.Published by Elsevier Masson SAS. All rights reserved.


Leila L.,University of 08 Mai 1945 | Fatiha M.,University of 08 Mai 1945 | Eddine K.D.,University of 08 Mai 1945 | Leila N.,University of 08 Mai 1945
Journal of the Taiwan Institute of Chemical Engineers | Year: 2014

The binding of the N-acetyl-4-aminophenol (NAPAP) with Me-β-CD was investigated using semi-empirical and ONIOM2 methods. Two modes of complexation were considered for studying such complex. In A complex the OH group of the guest was pointed toward smaller rim of Me-β-CD, while in B complex the OH group was directed to the wider rim. The semi-empirical results gives that B model is more preferred than A one. Also, the ONIOM2 calculations give preference to B model. The geometrical analysis of the inclusion complexes shows that both NAPAP and Me-β-CD were deformed to increase mutual interactions. Finally, natural bond orbital (NBO) analysis reveals that Van Der Waals interactions are the main driving force of formation of inclusion complex. © 2013 Taiwan Institute of Chemical Engineers.


Fatiha M.,University of 08 Mai 1945 | Leila L.,University of 08 Mai 1945 | Eddine K.D.,University of 08 Mai 1945 | Leila N.,University of 08 Mai 1945
Journal of Inclusion Phenomena and Macrocyclic Chemistry | Year: 2013

PM3 and ONIOM2 were carried out to investigate the structures and properties for the inclusion complexes of chloramphenicol tautomers into β-cyclodextrin (at 1:1 stoichiometry). Two possible orientations into host cavity were considered for both enol and keto chloramphenicol. The PM3 results gives that B orientation is more preferred for enol and keto form, the preference is of 0.63 and 1.67 kcal/mol respectively. This preference is greater in the case of ONIOM2 calculations. Finally, the chemical shifts (ppm) of free and complexed chloramphenicol were calculated at B3LYP/6-31G(d) by (GIAO method) and compared with experimental data taken from the literature. © Springer Science+Business Media Dordrecht 2012.


Benzaoui A.,University of 08 Mai 1945 | Boukrouche A.,University of 08 Mai 1945
International Journal of Imaging and Robotics | Year: 2015

The Human ear is a new technology of biometrics which is not yet used in a real context or in commercial applications. For this purpose of biometric system, we present an improvement for ear recognition methods that use Elliptical Local Binary Pattern operator as a robust descriptor for characterizing the fine details of the two dimensional ear imaging. The improvements are focused on features extractions and dimensionalities reductions steps. The realized system is mainly appropriate for identification mode; it starts by decomposing the normalized ear image into several blocks with different resolutions. Next, the local textural descriptor is applied on each decomposed block. A problem of information redundancies is appeared due to the important size of the concatenated histograms of all blocks, which has been resolved by reducing of the histogram’s dimensionalities and by selecting the pertinent information using Haar Wavelets. Finally, the system is evaluated on the IIT Delhi Database containing two dimensional ear images and we have obtained a success rate about 97% for 493 images from 125 persons and about 96% for 793 images from 221 persons. © 2015 by IJIR (CESER PUBLICATIONS).


Cherairia M.,University of 08 Mai 1945 | Adler P.H.,Clemson University | Samraoui B.,University of 08 Mai 1945 | Samraoui B.,King Saud University
Zootaxa | Year: 2014

Black flies in the Seybouse River Basin in northeastern Algeria were sampled at 31 sites along the main river and its tributaries across all seasons from 2011 to 2013. Eight nominal species and species complexes in three genera were identified among more than 31,000 specimens. Urosimulium faurei (Bernard, Grenier & Bailly-Choumara), Simulium (Eusimulium) mellah Giudicelli & Bouzidi, and Simulium (Nevermania) lundstromi (Enderlein) were recorded for the first time in northeastern Algeria. Three cytoforms of the Simulium (Eusimulium) velutinum complex and two morphoforms of Simulium (Nevermannia) ruficorne Macquart were found. The most abundant and ubiquitous taxon, Simulium (Wilhelmia) pseudequinum Segúy, representing nearly 80% of collected specimens, occupied the widest range of habitats, including those with anthropogenic influences. Copyright © 2014 Magnolia Press.


Fatiha M.,University of 08 Mai 1945 | Leila L.,University of 08 Mai 1945 | Leila N.,University of 08 Mai 1945 | Eddine K.D.,University of 08 Mai 1945
Journal of the Taiwan Institute of Chemical Engineers | Year: 2012

The binding of the ethyl p-hydroxybenzoate with β-CD was investigated using PM3MM and ONIOM2 (MPW1PW91/6-31G: PM3MM) methods. Two modes of complexation were considered for studying such complex. In A complex the OH group of the guest was pointed toward secondary hydroxyls of β-CD, while in B complex the OH group was directed to primary hydroxyls. The lowest energy structure obtained with ONIOM2 for B complex (the preferred complex) showed that the aromatic ring is totally embedded in β-CD while alkyl chain remains outside the cavity. This preferred arrangement increases intermolecular and H-bond interactions between ethyl p-hydroxybenzoate and β-CD. This is confirmed by NBO analysis. © 2012 Taiwan Institute of Chemical Engineers.


Fatiha M.,University of 08 Mai 1945 | Faiza B.,University of 08 Mai 1945 | Ichraf K.,University of 08 Mai 1945 | Leila N.,University of 08 Mai 1945 | Eddine K.D.,University of 08 Mai 1945
Journal of the Taiwan Institute of Chemical Engineers | Year: 2015

The binding of the carbendazim (CBZ) with cucurbit[7]uril (CB[7]) was investigated theoretically using HF/6-31G and B3LYP/6-31G methods. Two modes of complexation were considered for studying such complex. In A complex the benzimidazole group of the guest was introduced into CB[7] cavity, while in B complex the carbamate group was included in the CB[7] cavity. Energetic analysis indicates that the formed complexes are stable and both host and guest were little deformed after complexation. Electronic properties given by TD-DFT calculation clearly demonstrate that a charge transfer was occurred between CBZ and CB[7] molecules. © 2015 Taiwan Institute of Chemical Engineers.


Benzaoui A.,University of 08 Mai 1945 | Kheider A.,University of 08 Mai 1945 | Boukrouche A.,University of 08 Mai 1945
2015 1st International Conference on Applied Research in Computer Science and Engineering, ICAR 2015 | Year: 2015

The human ear is a new technology in biometrics which is not yet used in a real context or in commercial applications. For this purpose of biometric system, we present an improvement for ear recognition methods that use Elliptical Local Binary Pattern operator as a robust technique for characterizing the fine details of the two dimensional ear images. The improvements are focused on feature extraction and dimensionality reduction steps. The realized system is mainly appropriate for verification mode; it starts by decomposing the normalized ear image into several blocks with different resolutions. Next, the textural descriptor is applied on each decomposed block. A problem of information redundancies is appeared due to the important size of the concatenated histograms of all blocks, which has been resolved by reducing of the histogram's dimensionalities and by selecting of the pertinent information using Haar Wavelets. Finally, the system is evaluated on the IIT Delhi Database containing two dimensional ear images and we have obtained a success rate about 94% for 500 images from 100 persons. © 2015 IEEE.


Benzaoui A.,University of 08 Mai 1945 | Boukrouche A.,University of 08 Mai 1945
Control Engineering and Applied Informatics | Year: 2014

In this study of a biometric system, Improved One Dimensional Local Binary Patterns (I1DLBP) are developed and tested for use in face analysis, description and recognition. The extraction of facial features is based on the principal that the human visual system combines local and global features to differentiate between people. The proposed method starts by decomposing the facial image into several blocks with different resolutions. Each block is then projected in one dimensional space, and the developed descriptor is applied on each projected block. Finally, Principal Component Analysis (PCA) is used to reduce the dimensionalities of the concatenated vectors from each block and to keep only the relevant information. The K-nearest neighbors (KNN) algorithm is used as a classifier. Experiments were carried out under varying conditions of occlusion, rotation, and facial expressions, using the ORL and AR databases. Results show that the developed feature extraction approach can effectively describe the micro characteristics of the human face and that it outperforms well-known and classical feature extraction descriptors.

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