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1.
Simone Carradori Marialuigia Fantacuzzi Alessandra Ammazzalorso Andrea Angeli Barbara De Filippis Salvatore Galati Anl Petzer Jacobus P. Petzer Giulio Poli Tiziano Tuccinardi Mariangela Agamennone Claudiu T. Supuran 《Molecules (Basel, Switzerland)》2022,27(22)
Neurodegenerative diseases (NDs) are described as multifactorial and progressive syndromes with compromised cognitive and behavioral functions. The multi-target-directed ligand (MTDL) strategy is a promising paradigm in drug discovery, potentially leading to new opportunities to manage such complex diseases. Here, we studied the dual ability of a set of resveratrol (RSV) analogs to inhibit two important targets involved in neurodegeneration. The stilbenols 1–9 were tested as inhibitors of the human monoamine oxidases (MAOs) and carbonic anhydrases (CAs). The studied compounds displayed moderate to excellent in vitro enzyme inhibitory activity against both enzymes at micromolar/nanomolar concentrations. Among them, the best compound 4 displayed potent and selective inhibition against the MAO-B isoform (IC50 MAO-A 0.43 µM vs. IC50 MAO-B 0.01 µM) with respect to the parent compound resveratrol (IC50 MAO-A 13.5 µM vs. IC50 MAO-B > 100 µM). It also demonstrated a selective inhibition activity against hCA VII (KI 0.7 µM vs. KI 4.3 µM for RSV). To evaluate the plausible binding mode of 1–9 within the two enzymes, molecular docking and dynamics studies were performed, revealing specific and significant interactions in the active sites of both targets. The new compounds are of pharmacological interest in view of their considerably reduced toxicity previously observed, their physicochemical and pharmacokinetic profiles, and their dual inhibitory ability. Compound 4 is noteworthy as a promising lead in the development of MAO and CA inhibitors with therapeutic potential in neuroprotection. 相似文献
2.
Nicoletta Calace Federico Giglio Sabrina Mirante Bianca Maria Petronio Mariangela Ravaioli 《International journal of environmental analytical chemistry》2013,93(6-7):423-439
The first 40?cm of sediment of three basins in the Ross Sea were sampled using a box corer. Site Y1 was located close to the coast in Terra Nova Bay; the sediment of site Y3 was collected in a more distal basin in the central sector of the Ross Sea; finally site Y5 was sampled in the deepest zone of the Joides Basin. Sediment cores were sliced and analysed with a depth resolution of 2–4.5?cm. The distribution of humic substances and their structural features along the cores were determined and related to the pattern of Total Organic Carbon (TOC) and sedimentological data. The grain size distribution and the 210Pb inventories allow the sediment of the study sites to be characterised. The humic substance content in the sediment decreases, with a change in slope between 23 and 26?cm at Y1, between 12 and 15?cm at Y3 and constant values with further depth. At Y5 the depth profile of humic substance content shows constant values in the upper 17?cm and values decrease with further depth. The pattern of humic substance yield is similar to that found for TOC. The analysis of the elemental composition of the humic acids extracted from different sediment depths shows an increasing C/N atomic ratio at sites Y1 and Y3 and constant values along the Y5 core. The depth profile of the C/N atomic ratio is confirmed by the changes observed in the structural characterisation and indicates a shift from the freshly deposited organic matter on the sediment surface to more humified material (humin). The results obtained highlight a different sedimentation rate at the three sites as deduced from sedimentological analysis. 相似文献
3.
Dr. Zhijia Wang Mikhail Ivanov Dr. Yuting Gao Laura Bussotti Prof. Paolo Foggi Huimin Zhang Prof. Nino Russo Prof. Bernhard Dick Prof. Jianzhang Zhao Prof. Mariangela Di Donato Dr. Gloria Mazzone Prof. Liang Luo Prof. Matvey Fedin 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(5):1091-1102
Spin–orbit charge-transfer intersystem crossing (SOCT-ISC) is useful for the preparation of heavy atom-free triplet photosensitisers (PSs). Herein, a series of perylene-Bodipy compact electron donor/acceptor dyads showing efficient SOCT-ISC is prepared. The photophysical properties of the dyads were studied with steady-state and time-resolved spectroscopies. Efficient triplet state formation (quantum yield ΦT=60 %) was observed, with a triplet state lifetime (τT=436 μs) much longer than that accessed with the conventional heavy atom effect (τT=62 μs). The SOCT-ISC mechanism was unambiguously confirmed by direct excitation of the charge transfer (CT) absorption band by using nanosecond transient absorption spectroscopy and time-resolved electron paramagnetic resonance (TREPR) spectroscopy. The factors affecting the SOCT-ISC efficiency include the geometry, the potential energy surface of the torsion, the spin density for the atoms of the linker, solvent polarity, and the energy matching of the 1CT/3LE states. Remarkably, these heavy atom-free triplet PSs were demonstrated as a new type of efficient photodynamic therapy (PDT) reagents (phototoxicity, EC50=75 nm ), with a negligible dark toxicity (EC50=78.1 μm ) compared with the conventional heavy atom PSs (dark toxicity, EC50=6.0 μm, light toxicity, EC50=4.0 nm ). This study provides in-depth understanding of the SOCT-ISC, unveils the design principles of triplet PSs based on SOCT-ISC, and underlines their application as a new generation of potent PDT reagents. 相似文献
4.
Dr. Zafar Mahmood Noreen Rehmat Prof. Shaomin Ji Prof. Jianzhang Zhao Shanshan Sun Dr. Mariangela Di Donato Prof. Mingde Li Maria Teddei Prof. Yanping Huo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(65):14912-14918
Zinc(II) bis(dipyrrin) complexes, which feature intense visible absorption and efficient symmetry breaking charge transfer (SBCT) are outstanding candidates for photovoltaics but their short lived triplet states limit applications in several areas. Herein we demonstrate that triplet excited state dynamics of bis(dipyrrin) complexes can be efficiently tuned by attaching electron donating aryl moieties at the 5,5′-position of the complexes. For the first time, a long lived triplet excited state (τT=296 μs) along with efficient ISC ability (ΦΔ=71 %) was observed for zinc(II) bis(dipyrrin) complexes, formed via SBCT. The results revealed that molecular geometry and energy gap between the charge transfer (CT) state and triplet energy levels strongly control the triplet excited state properties of the complexes. An efficient triplet–triplet annihilation upconversion system was devised for the first time using a SBCT architecture as triplet photosensitizer, reaching a high upconversion quantum yield of 6.2 %. Our findings provide a blueprint for the development of triplet photosensitizers based on earth abundant metal complexes with long lived triplet state for revolutionary photochemical applications. 相似文献
5.
Plaia Antonella Sciandra Mariangela 《Advances in Data Analysis and Classification》2019,13(2):427-444
Advances in Data Analysis and Classification - Within the framework of preference rankings, the interest can lie in finding which predictors and which interactions are able to explain the observed... 相似文献
6.
Mariangela Potenza Giuseppina Sabatino Francesca Giambi Luca Rosi Anna Maria Papini Luigi Dei 《Analytical and bioanalytical chemistry》2013,405(2-3):691-701
The chemical analysis of egg-based wall paintings—the mezzo fresco technique—is an interesting topic in the characterisation of organic binders. A revised procedure for a dot-enzyme-linked immunosorbent assay (dot-ELISA) able to detect protein components of egg-based wall paintings is reported. In the new dot-ELISA procedure we succeeded in maximizing the staining colour by adjusting the temperature during the staining reaction. Quantification of the colour intensity by visible reflectance spectroscopy resulted in a straight line plot of protein concentration against reflectance in the wavelength range 380–780 nm. The modified dot-ELISA procedure is proposed as a semi-quantitative analytical method for characterisation of protein binders in egg-based paintings. To evaluate its performance, the method was first applied to standard samples (ovalbumin, whole egg, egg white), then to model specimens, and finally to real samples (Giotto’s wall paintings). Moreover, amino acid analysis performed by innovative ultra-performance liquid chromatography was applied both to standards and to model samples and the results were compared with those from the dot-ELISA tests. In particular, after protein hydrolysis (24 h, 114 °C, 6 mol L?1 HCl) of the samples, amino acid derivatization by use of 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate enabled reproducible analysis of amino acids. This UPLC amino acid analysis was rapid and reproducible and was applied for the first time to egg-based paintings. Because the painting technique involved the use of egg-based tempera on fresh lime-based mortar, the study enabled investigation of the effect of the alkaline environment on egg-protein detection by both methods. Figure
Model wall paintings specimens and typical dot-ELISA stains for egg proteins. 相似文献
7.
Dongyi Liu Dr. Ahmed M. El-Zohry Maria Taddei Clemens Matt Laura Bussotti Dr. Zhijia Wang Prof. Jianzhang Zhao Prof. Omar F. Mohammed Prof. Mariangela Di Donato Prof. Stefan Weber 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(28):11688-11696
We prepared conceptually novel, fully rigid, spiro compact electron donor (Rhodamine B, lactam form, RB)/acceptor (naphthalimide; NI) orthogonal dyad to attain the long-lived triplet charge-transfer (3CT) state, based on the electron spin control using spin-orbit charge transfer intersystem crossing (SOCT-ISC). Transient absorption (TA) spectra indicate the first charge separation (CS) takes place within 2.5 ps, subsequent SOCT-ISC takes 8 ns to produce the 3NI* state. Then the slow secondary CS (125 ns) gives the long-lived 3CT state (0.94 μs in deaerated n-hexane) with high energy level (ca. 2.12 eV). The cascade photophysical processes of the dyad upon photoexcitation are summarized as 1NI*→1CT→3NI*→3CT. With time-resolved electron paramagnetic resonance (TREPR) spectra, an EEEAAA electron-spin polarization pattern was observed for the naphthalimide-localized triplet state. Our spiro compact dyad structure and the electron spin-control approach is different to previous methods for which invoking transition-metal coordination or chromophores with intrinsic ISC ability is mandatory. 相似文献
8.
Dongyi Liu Ahmed M. El‐Zohry Maria Taddei Clemens Matt Laura Bussotti Zhijia Wang Jianzhang Zhao Omar F. Mohammed Mariangela Di Donato Stefan Weber 《Angewandte Chemie (International ed. in English)》2020,59(28):11591-11599
We prepared conceptually novel, fully rigid, spiro compact electron donor (Rhodamine B, lactam form, RB)/acceptor (naphthalimide; NI) orthogonal dyad to attain the long‐lived triplet charge‐transfer (3CT) state, based on the electron spin control using spin‐orbit charge transfer intersystem crossing (SOCT‐ISC). Transient absorption (TA) spectra indicate the first charge separation (CS) takes place within 2.5 ps, subsequent SOCT‐ISC takes 8 ns to produce the 3NI* state. Then the slow secondary CS (125 ns) gives the long‐lived 3CT state (0.94 μs in deaerated n‐hexane) with high energy level (ca. 2.12 eV). The cascade photophysical processes of the dyad upon photoexcitation are summarized as 1NI*→1CT→3NI*→3CT. With time‐resolved electron paramagnetic resonance (TREPR) spectra, an EEEAAA electron‐spin polarization pattern was observed for the naphthalimide‐localized triplet state. Our spiro compact dyad structure and the electron spin‐control approach is different to previous methods for which invoking transition‐metal coordination or chromophores with intrinsic ISC ability is mandatory. 相似文献
9.
Polyetheretherketone (PEEK) is a thermoplastic material with outstanding properties and high potential for biomedical applications, including hermetic encapsulation of active implantable devices. Different biomedical grade PEEK films with initial degree of crystallinity ranging from 8% to 32% (with or without mineral filling) were inspected. PEEK surfaces were treated with nitrogen RF plasma and the effects on materials crystallinity and self‐bonding were evaluated. In particular, the relationship between auto‐adhesive properties and crystalline content of PEEK before and after plasma treatment was examined. PEEK samples showed different bonding strength depending on their degree of crystallinity, with higher self‐bonding performance of mineral‐filled semi‐crystalline films. XRD did not show any modification of the PEEK microstructure as a result of plasma treatment, excluding a significant influence of crystallinity on the self‐bonding mechanisms. Nevertheless, plasma surface treatment successfully improved the self‐bonding strength of all the PEEK films tested, with larger increase in the case of semi‐crystalline unfilled materials. This could be interpreted to the increase in chain mobility that led to interfacial interpenetration of the amorphous phase. 相似文献
10.
Sets of electrooptical parameters (eop's), suitable for longer n-paraffins and less constrained than those already used to fit the IR intensities of CH4 and C2H6 and their deuterated derivatives, are presented and discussed. The technique adopted in the least-squares refinement of eop's from experimental data is discussed in detail. 相似文献