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1.
C. Damas M. Adibnejad A. Benjelloun A. Brembilla M. C. Carré M. L. Viriot P. Lochon 《Colloid and polymer science》1997,275(4):364-371
Cationic amphiphilic polymers (e.g. polyvinylpyridinium bromides and polyvinylimidazo-lium bromides) adopt a compact coiled
form in aqueous solutions. In the case of former polymers, the resulting hydrophobic microdomains are evidenced only by fluorescence
spectroscopy if a molecular rotor (DMAC) is used as a fluorescent probe, while the behaviour of the latter can be studied
in aqueous solution by using both types of fluorescent probes, i.e., pyrene and the molecular rotor. The purpose of the present
investigation deals with a comparative study between the magnitude of the local viscosity and the polarity of the hydrophobic
microdomains generated by poly(3-hexadecyl-1-vinylimidazolium bromide) in an aqueous medium using pyrene and DMAC as fluorescent
probes. Moreover, the results are compared with the data obtained with micelles of conventional surfactants such as the homopolymer
repetitive unit model and CTAB.
Received: 3 June 1996 Accepted: 29 September 1996 相似文献
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A. Fitri A. Touimi Benjelloun M. Benzakour M. Mcharfi M. Sfaira M. Hamidi M. Bouachrine 《Research on Chemical Intermediates》2013,39(6):2679-2695
We report theoretical analysis on the geometries and electronic properties of new conjugated compounds based on thiazolothiazole synthesized by Ando et al. (Synth. Met., 156:327 [13]). The theoretical ground-state geometry and electronic structure of the studied molecules were investigated by the density functional theory (DFT) method at Becke’s three-parameter functional and Lee–Yang–Parr functional (B3LYP) level with 6-31G(d,p) basis set. The effects of the ring structure and the substituents on the geometries and electronic properties of these materials are discussed to investigate the relationship between molecular structure and optoelectronic properties. This investigation was used to drive further syntheses towards compounds more useful as active optoelectronic materials. Theoretical knowledge of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the components is basic in studying organic solar cells, so the HOMO, LUMO, and gap energy V oc (open-circuit voltage) of the studied compounds are calculated and discussed. These properties suggest these materials as good candidates for use in organic dye-sensitized solar cells. 相似文献
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In this work, the ab-initio coupled cluster CCSD(T) method and the B3LYP, BP91W and CAM-B3LYP functional of DFT method in conjunction with the aug-cc-pVTZ-PP basis have been applied to study the group 12 monocarbides MC, MC+ and MC?. The potential energy curves (PECs) for the three electronic states 3Σ?, 5Σ? and 1Δ of the MC and the two states 2∑- and 4∑- for the MC+ cations and MC? anions have been investigated. In addition, Bond distance Re, transition energy Te, vibrational frequency ωe, ionization energy IE, electron affinity EA, dipole moment μ, dissociation energy D0 and heat formation ΔH°f0/ΔH°f298, were determined for each species. The analysis of the dissociation energy for ZnC, CdC and HgC shows the decrease in the stability of the monocarbides from Zn to Hg. For ΔH°f0/ΔH°f298 values of MC, which are not known experimentally or theoretically, we recommend the following CCSD(T) predictions of ZnC, CdC and HgC: 181.3/178.54, 180.65/178.4 and 175.35/174.71 kcal/mol respectively. Comparing the three functionals with the CCSD(T) results, the CAM-B3LYP functional shows excellent predictive agreement for the various properties of the group 12 monocarbides. 相似文献
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A critique on the structural analysis of lignins and application of novel tandem mass spectrometric strategies to determine lignin sequencing 下载免费PDF全文
Joseph Banoub Guo‐Hua Delmas Jr. Nicolas Joly Grahame Mackenzie Nadja Cachet Bouchra Benjelloun‐Mlayah Michel Delmas 《Journal of mass spectrometry : JMS》2015,50(1):5-48
This review is devoted to the application of MS using soft ionization methods with a special emphasis on electrospray ionization, atmospheric pressure photoionization and matrix‐assisted laser desorption/ionization MS and tandem MS (MS/MS) for the elucidation of the chemical structure of native and modified lignins. We describe and critically evaluate how these soft ionization methods have contributed to the present‐day knowledge of the structure of lignins. Herein, we will introduce new nomenclature concerning the chemical state of lignins, namely, virgin released lignins (VRLs) and processed modified lignins (PML). VRLs are obtained by liberation of lignins through degradation of vegetable matter by either chemical hydrolysis and/or enzymatic hydrolysis. PMLs are produced by subjecting the VRL to a series of further chemical transformations and purifications that are likely to alter their original chemical structures. We are proposing that native lignin polymers, present in the lignocellulosic biomass, are not made of macromolecules linked to cellulose fibres as has been frequently reported. Instead, we propose that the lignins are composed of vast series of linear related oligomers, having different lengths that are covalently linked in a criss‐cross pattern to cellulose and hemicellulose fibres forming the network of vegetal matter. Consequently, structural elucidation of VRLs, which presumably have not been purified and processed by any other type of additional chemical treatment and purification, may reflect the structure of the native lignin. In this review, we present an introduction to a MS/MS top–down concept of lignin sequencing and how this technique may be used to address the challenge of characterizing the structure of VRLs. Finally, we offer the case that although lignins have been reported to have very high or high molecular weights, they might not exist on the basis that such polymers have never been identified by the mild ionizing techniques used in modern MS. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
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Mohammed Bouslamti Amira Metouekel Tarik Chelouati Abdelfattah El Moussaoui Azeddin El Barnossi Mohamed Chebaibi Hiba-Allah Nafidi Ahmad Mohammad Salamatullah Abdulhakeem Alzahrani Mourad A. M. Aboul-Soud Mohammed Bourhia Badiaa Lyoussi Ahmed Samir Benjelloun 《Molecules (Basel, Switzerland)》2022,27(24)
The present work was designed to study the chemical composition and the antioxidant and antimicrobial properties of fruits (SFr) and leaf (SF) extracts from Solanum elaeagnifolium var. obtusifolium (Dunal) Dunal (S. elaeagnifolium). The chemical composition was determined using HPLC-DAD analysis. Colorimetric methods were used to determine polyphenols and flavonoids. Antioxidant capacity was assessed with DPPH, TAC, and FRAP assays. Antimicrobial activity was assessed using disk diffusion and microdilution assays against two Gram (+) bacteria (Staphylococcus aureus ATCC-6633 and Bacillus subtilis DSM-6333) and two Gram (-) bacteria (Escherichia coli K-12 and Proteus mirabilis ATCC-29906), while the antifungal effect was tested vs. Candida albicans ATCC-1023. By use of in silico studies, the antioxidant and antimicrobial properties of the studied extracts were also investigated. HPLC analysis showed that both fruits and leaf extracts from S. elaeagnifolium were rich in luteolin, quercetin, gallic acid, and naringenin. Both SFr and SF generated good antioxidant activity, with IC50 values of 35.15 ± 6.09 μg/mL and 132.46 ± 11.73 μg/mL, respectively. The EC50 of SFr and SF was 35.15 ± 6.09 μg/mL and 132.46 ± 11.73 μg/mL, respectively. SFr and SF also showed a good total antioxidant capacity of 939.66 ± 5.01 μg AAE/and 890.1 ± 7.76 μg AAE/g, respectively. SFr had important antibacterial activity vs. all tested strains—most notably B. subtilis DSM-6333 and E. coli, with MICs values of 2.5 ± 0.00 mg/mL and 2.50 ± 0.00 mg/mL, respectively. SFr demonstrated potent antifungal activity against C. albicans, with an inhibition diameter of 9.00 ± 0.50 mm and an MIC of 0.31 ± 0.00 mg/mL. The in silico approach showed that all compounds detected in SFr and SF had high activity (between −5.368 and 8.416 kcal/mol) against the receptors studied, including NADPH oxidase, human acetylcholinesterase, and beta-ketoacyl-[acyl carrier protein] synthase. 相似文献
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Souilah Mohammed Hachi Mohamed Fitri Asmae Benjelloun Adil Touimi El Khattabi Souad Benzakour Mohammed Mcharfi Mohammed Zgou Hsaine 《Research on Chemical Intermediates》2021,47(2):875-893
Research on Chemical Intermediates - A series of D–π–A architectures dyes with Coumarin-based derivatives as difluorenylaminocoumarin (DF) and diphenylaminocoumarin (DP) have been... 相似文献
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The two potential hypersurfaces 2A' (ground state) and 2A" (excited state) have been studied through ab initio and density functional theory (DFT) methods for the Pb(OH) complex. Two processes have been identified. The first one concerns the hydrogen inversion process in the coordination of PbOH and the second one the isomerization of PbOH into HPbO. Eight stationary points have been found; four of them correspond to the stable structures with symmetries PbOH(2A'), PbOH(2A"), HPbO(2A'), and HPbO(2Pi), and four correspond to transition states [TS] with the symmetries 2Pi, 2A', 2Sigma+, and 2A". The hydrogen inversion process in PbOH exhibits the so-called Renner-Teller effect with a rather low barrier, whereas the isomerization process PbOH-->HPbO exhibits a rather high barrier. The energetic, structural, spectroscopy, and thermodynamics results obtained at various levels through, e.g., DFT with BLYP, B3LYP exchange-correlation functionals, coupled clusters methods, namely CCSD (single and double excitations) and CCSD(T) (with triple excitations, by perturbation) are presented for the whole sets of the stationary points and their dissociation products. The relativistic effects, as well as spin-orbit interaction, taken into account in the case of the BLYP exchange-correlation functional, have been estimated and discussed in order to measure their importance in the case of system including heavy metals such as Pb. Reactions of lead (Pb) with oxidizing atmospheric molecules (OH, HO2, O2, and O3) have been studied at various levels of approximation in order to study the possible existence of PbOH in the atmosphere. 相似文献
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El Mouhi Rahma El Khattabi Souad Hachi Mohamed Fitri Asmae Benjelloun Adil Touimi Benzakour Mohammed Mcharfi Mohammed Bouachrine Mohammed 《Research on Chemical Intermediates》2019,45(3):1327-1340
Research on Chemical Intermediates - Eight novel organic compounds with donor–π–acceptor (D–π–A) structure were designed for use as donors in organic bulk... 相似文献