Search Results - "Brahimi, Meziane"

New Au(III)- and Fe(III)-based complexes of bio-pharmacological interest: DFT and in silico studies by Arbia, Yassamina, Abtouche, Soraya, Dahmane, Mohamed, Brahimi, Meziane

“…Many researchers have tried to overcome the limitations of clinical Cis-platin, which has led to several generations of platinum-based drugs that are derived…”
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Theoretical Study of Absorption and Emission Properties of Green and Yellow Emitting Iridium(III) Complexes by Kadari, Amel, Moncomble, Aurélien, Ciofini, Ilaria, Brahimi, Méziane, Adamo, Carlo

“…Iridium(III) complexes are among the most used phosphorescent materials for the development of organic light emitting diodes (OLEDs). In this work, the…”
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Proposal for an ecofriendly and economic strategy for efficient radioiodination of coumarin derivatives by Khatir–Hamdi, Nejla, Makhloufi-Chebli, Malika, Silva, Artur M.S., Brahimi, Méziane, Grib, Hocine

“…Combination of the calculation of reactivity descriptors and the cold iodine test for some coumarin derivatives was used in order to optimize the…”
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Structure, vibrational analysis, electronic properties and chemical reactivity of two benzoxazole derivatives: Functional density theory study by Zaater, Sihem, Bouchoucha, Afaf, Djebbar, Safia, Brahimi, Meziane

“…In the present work we calculate structural parameters, vibrational spectra (IR, 1H NMR and UV–Visible Absorption) and corresponding mode of vibrational…”
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A novel carbon/germanium conic structure: theoretical study using density functional theory by Elkebich, Moumena, Zaater, Sihem, Abtouche, Soraya, Brahimi, Meziane

“…Complete optimization without geometry constraints and calculation of electronic properties of novel conic molecules such as C n H n Ge n H n and C n Ge n H n…”
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Synthesis, structural characterization, computational studies, and in silico and in vitro biological activities of cyclodextrin inclusion complex with sulfonamide derived from L-valine as antimicrobial and anti-HIV-1 agents by Attou, Zineb, Abdi, Yamina, Arbia, Yassamina, Bezzina, Belgacem, Merazka, Hadjer, Mohamdi, Messaouda, Siziani, Dhaouiya, Brahimi, Meziane, Bensouilah, Nadjia

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Impact of the functionalized tetrazole ring on the electrochemical behavior and biological activities of novel nickel (II) complexes with a series of tetrazole derivatives by Allab, Yacine, Chikhi, Sabah, Zaater, Sihem, Brahimi, Meziane, Djebbar, Safia

“…[Display omitted] •New Ni (II) complexes with a series of tetrazole derivatives have been characterized.•DFT calculations confirmed the proposed octahedral…”
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Synthesis DFT/TD-DFT theoretical studies and experimental solvatochromic shift methods on determination of ground and excited state dipole moments of 3-(2-hydroxybenzoyl) coumarins by Khatir–Hamdi, Nejla, Makhloufi-Chebli, Malika, Grib, Hocine, Brahimi, Meziane, Silva, Artur M.S.

“…Solvatochromic behaviour of two 3-(2-hydroxybenzoyl) coumarins 3 and 4 has been studied in different solvents at room temperature. Both derivatives show…”
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In-silico modelling of fullerene and fullerene adsorbed by nO2 molecules (n(O2)@Cm with n = 1, 2, 4 and m = 48 and 60) as potential SARS-CoV-2 inhibitors by Brahimi, Meziane, SELLAM, Djamila, Bouchoucha, Afaf, Arbia, Yassamina, Merazka, Hadjer, Bagtache, Radia, Djebbari, Khaled, Bachari, Khaldoun, Talhi, Oualid

“…COVID-19 pandemic started more than a year ago and has infected more than 115 million of people from ~210 countries and >2.5 million of deaths worldwide being…”
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Novel oxazolidinone zinc(II) complexes as antibacterial and anti-SARS-CoV-2 agents: synthesis, characterization, DFT calculations, ADMET, in silico molecular docking and biological activities by Merazka, Hadjer, Bouchoucha, Afaf, Nessaib, Mounir, Bensouilah, Nadjia, Si Larbi, Karima, Bouzaheur, Amal, Brahimi, Meziane

“…A series of Zn(II) complexes with oxazolidinone derivatives has been synthesized and characterized using spectroscopic techniques: IR, 1 H NMR, UV-Vis…”
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Structure and electronics properties of novel antimalarial molecules: Comparative study of ferrotriborodiazoquine and ferrodiborotriazoquine with ferroquine using density functional theory by Triaki, Nabila, Zaater, Sihem, Abtouche, Soraya, Brahimi, Meziane

“…Theoretical investigation for different conformations of novel sandwich complexes. Replacement of the ferrocene moiety in ferroquine, by a novels sandwich…”
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Synthesis, characterisation, estimation of ground-and excited-state dipole moments using solvatochromic shift and theoretical studies of new iminocoumarin derivatives by Rabahi, Amal, Makhloufi-Chebli, Malika, Zaater, Sihem, Brahimi, Meziane, Silva, Artur M.S., Boutemeur, Baya

“…The study on the fluorescence and UV–Vis absorption of some iminocoumarins at ambient temperature in several solvents showed a bathochromic shift with the…”
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Theoretical study of methyl group transfer assisted by proton transfer reaction in the N-acylated imidates by Larabi, Rezika, Abtouche, Soraya, Brahimi, Meziane

“…The single methyl group transfer (MGT), double MGT and single MGT assisted by proton transfer (PT) that occurs in small biological systems N-methoxy methylene…”
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Theoretical study of the structure and spectroscopic characterization of the new 1-ferrogermene in the gas phase by Zaater, Sihem, Brahimi, Meziane, Rahmouni, Ali

“…We performed, at the DFT/B3LYP level, theoretical studies on different conformations of a new sandwich complex, (GeC 4H 5) 2Fe , and compared the results to…”
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Estimation du flux de masse et de chaleur d’une installation de distillation à détentes étagées (MSF) couplée à un capteur cylindro parabolique pour le dessalement d’eau de mer by Nouah, Noureddine, Dahmani, Kahina, Djennaoui, Nabil, Brahimi, Meziane

“…L’eau et l’énergie sont des sujets les plus importants pour l’environnement international et le développement. La santé économique et sociale moderne dépend de…”
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Insight on the interaction of polychlorobiphenyl with nucleic acid–base by Abtouche, Soraya, Very, Thibaut, Monari, Antonio, Brahimi, Meziane, Assfeld, Xavier

“…The interaction between one polychlorobiphenyl (3,3′,4,4′,-tetrachlorobiphenyl, coded PCB77) and the four DNA nucleic acid–base is studied by means of quantum…”
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H2 storage by confinement inside germanium nanotubes by Djitli, Wassila, Abdelatif, Mohamed Lamine, Belmiloud, Yamina, Abdeldjebar, Hasnia, Brahimi, Meziane, Tangour, Bahoueddine

“…This work enabled us to compare the behaviour of different types of CNTs and BNNTs with that of various germanium nanotubes with a hydrogen molecule introduced…”
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First principles calculations of a H2 molecule inside boron-nitrogen nanotubes by Belmiloud, Yamina, Djitli, Wassila, Abdeldjebar, Hasnia, Abdelatif, Mohamed Lamine, Tangour, Bahoueddine, Brahimi, Meziane

“…DFT/B3LYP and CAM-B3LYP/6-311G(d,p) calculations have been performed to study a H2 molecule inside boron-nitrogen nanotubes (BNNT) (2,2), (3,3), (4,4) and…”
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First principles calculations of a H 2 molecule inside boron-nitrogen nanotubes by Belmiloud, Yamina, Djitli, Wassila, Abdeldjebar, Hasnia, Abdelatif, Mohamed Lamine, Tangour, Bahoueddine, Brahimi, Meziane

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A model for proton-assisted electron transfer by Del Re, Giuseppe, Brahimi, Meziane, Peluso, Andrea

“…Proton-assisted electron transfer is a little studied but interesting possibility for long-range electron transfer in systems where several substructures are…”
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