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71.
We categorify the notion of an infinitesimal braiding in a linear strict symmetric monoidal category, leading to the notion of a (strict) infinitesimal 2-braiding in a linear symmetric strict monoidal 2-category. We describe the associated categorification of the 4-term relations, leading to six categorified relations. We prove that any infinitesimal 2-braiding gives rise to a flat and fake flat 2-connection in the configuration space of n particles in the complex plane, hence to a categorification of the Knizhnik–Zamolodchikov connection. We discuss infinitesimal 2-braidings in a certain monoidal 2-category naturally assigned to every differential crossed module, leading to the notion of a symmetric quasi-invariant tensor in a differential crossed module. Finally, we prove that symmetric quasi-invariant tensors exist in the differential crossed module associated to Wagemann's version of the String Lie-2-algebra. As a corollary, we obtain a more conceptual proof of the flatness of a previously constructed categorified Knizhnik–Zamolodchikov connection with values in the String Lie-2-algebra. 相似文献
72.
73.
It is shown in the literature that Tollmien−Schlichting waves can be damped and transition delayed by a proper modulation of the streamwise velocity in a boundary layer (BL), which can be obtained using miniature vortex generators (MVGs). Experiments show that the amplitude of TS waves is not always monotonically damped past the MVGs. In this study, direct numerical simulations and local stability analysis have been performed in order to provide an interpretation of the experiments and to characterize further the stabilization mechanism induced by this type of control. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
74.
Simone Madama Ermelinda Falletta Amir Mohammad Malvandi Kevin Arzoni Carlo Brogna Marco Varelli Matteo Bertelli Matteo Conti Martina Larini Federico Guidugli Pietro Traldi Simone Cristoni 《Journal of mass spectrometry : JMS》2022,57(8):e4876
In this work, the isolation step in the linear ion trap was performed using different “q values” conditions at a low collision-induced dissociation (CID) energy leading to the parent ion resolution improvements, reasonably due to better ion energy distribution. According to the results, we obtained a greater resolution and mass accuracy operating in both traditional electrospray and low voltage ionization near the q value = 0.778 and with a CID energy of 10%. This effect was evaluated with low-molecular-mass compounds (skatole and arginine). The proposed optimization yielded a superior instrument performance without adding technological complexity to mass spectrometry analyses. 相似文献
75.
Francesca Sisto Simone Carradori Paolo Guglielmi Mattia Spano Daniela Secci Arianna Granese Anatoly P. Sobolev Rossella Grande Cristina Campestre Maria Carmela Di Marcantonio Gabriella Mincione 《Molecules (Basel, Switzerland)》2021,26(7)
Following a similar approach on carvacrol-based derivatives, we investigated the synthesis and the microbiological screening against eight strains of H. pylori, and the cytotoxic activity against human gastric adenocarcinoma (AGS) cells of a new series of ether compounds based on the structure of thymol. Structural analysis comprehended elemental analysis and 1H/13C/19F NMR spectra. The analysis of structure–activity relationships within this molecular library of 38 structurally-related compounds reported that some chemical modifications of the OH group of thymol led to broad-spectrum growth inhibition on all isolates. Preferred substitutions were benzyl groups compared to alkyl chains, and the specific presence of functional groups at para position of the benzyl moiety such as 4-CN and 4-Ph endowed the most anti-H. pylori activity toward all the strains with minimum inhibitory concentration (MIC) values up to 4 µg/mL. Poly-substitution on the benzyl ring was not essential. Moreover, several compounds characterized by the lowest minimum inhibitory concentration/minimum bactericidal concentration (MIC/MBC) values against H. pylori were also tested in order to verify a cytotoxic effect against AGS cells with respect to 5-fluorouracil and carvacrol. Three derivatives can be considered as new lead compounds alternative to current therapy to manage H. pylori infection, preventing the occurrence of severe gastric diseases. The present work confirms the possibility to use natural compounds as templates for the medicinal semi-synthesis. 相似文献
76.
Tiziana Forleo Alessandro Zappi Dora Melucci Martina Ciriaci Francesco Griffoni Simone Bacchiocchi Melania Siracusa Tamara Tavoloni Arianna Piersanti 《Molecules (Basel, Switzerland)》2021,26(9)
The international seafood trade is based on food safety, quality, sustainability, and traceability. Mussels are bio-accumulative sessile organisms that need regular control to guarantee their safe consumption. However, no well-established and validated methods exist to trace mussel origin, even if several attempts have been made over the years. Recently, an inorganic multi-elemental fingerprint coupled to multivariate statistics has increasingly been applied in food quality control. The mussel shell can be an excellent reservoir of foreign inorganic chemical species, allowing recording long-term environmental changes. The present work investigates the multi-elemental composition of mussel shells, including Al, Cu, Cr, Zn, Mn, Cd, Co, U, Ba, Ni, Pb, Mg, Sr, and Ca, determined by inductively-coupled plasma mass-spectrometry in Mytilus galloprovincialis collected along the Central Adriatic Coast (Marche Region, Italy) at 25 different sampling sites (18 farms and 7 natural banks) located in seven areas. The experimental data, coupled with chemometric approaches (principal components analysis and linear discriminant analysis), were used to create a statistical model able to discriminate samples as a function of their production site. The LDA model is suitable for achieving a correct assignment of >90% of individuals sampled to their respective harvesting locations and for being applied to counteract fraud. 相似文献
77.
Candida Manelfi Jonas Gossen Silvia Gervasoni Carmine Talarico Simone Albani Benjamin Joseph Philipp Francesco Musiani Giulio Vistoli Giulia Rossetti Andrea Rosario Beccari Alessandro Pedretti 《Molecules (Basel, Switzerland)》2021,26(4)
The 3CL-Protease appears to be a very promising medicinal target to develop anti-SARS-CoV-2 agents. The availability of resolved structures allows structure-based computational approaches to be carried out even though the lack of known inhibitors prevents a proper validation of the performed simulations. The innovative idea of the study is to exploit known inhibitors of SARS-CoV 3CL-Pro as a training set to perform and validate multiple virtual screening campaigns. Docking simulations using four different programs (Fred, Glide, LiGen, and PLANTS) were performed investigating the role of both multiple binding modes (by binding space) and multiple isomers/states (by developing the corresponding isomeric space). The computed docking scores were used to develop consensus models, which allow an in-depth comparison of the resulting performances. On average, the reached performances revealed the different sensitivity to isomeric differences and multiple binding modes between the four docking engines. In detail, Glide and LiGen are the tools that best benefit from isomeric and binding space, respectively, while Fred is the most insensitive program. The obtained results emphasize the fruitful role of combining various docking tools to optimize the predictive performances. Taken together, the performed simulations allowed the rational development of highly performing virtual screening workflows, which could be further optimized by considering different 3CL-Pro structures and, more importantly, by including true SARS-CoV-2 3CL-Pro inhibitors (as learning set) when available. 相似文献
78.
Basma Najar Giulia Mecacci Valeria Nardi Claudio Cervelli Simona Nardoni Francesca Mancianti Valentina Virginia Ebani Simone Giannecchini Luisa Pistelli 《Molecules (Basel, Switzerland)》2021,26(9)
Spontaneous emissions of S. dentata Aiton and S. scabra Thunb., as well as the essential oil (EO) composition of the cited species, together with S. aurea L., were investigated. The chemical profile of the first two species is reported here for the first time. Moreover, in vitro tests were performed to evaluate the antifungal activity of these EOs on Trichophyton mentagrophytes, Microsporum canis, Aspergillus flavus, Aspergillus niger, and Fusarium solani. Secondly, the EO antibacterial activity against Escherichia coli, Staphylococcus aureus, and Staphylococcus pseudointermedius was examined, and their antiviral efficacy against the H1N1 influenza virus was assessed. Leaf volatile organic compounds (VOCs), as well as the EOs obtained from the arial part of Salvia scabra, were characterized by a high percentage of sesquiterpene hydrocarbons (97.8% and 76.6%, respectively), mostly represented by an equal amount of germacrene D (32.8% and 32.7%, respectively). Both leaf and flower spontaneous emissions of S. dentata, as well as the EO composition, showed a prevalence of monoterpenes divided into a more or less equal amount of hydrocarbon and oxygenated compounds. Interestingly, its EO had a non-negligible percentage of oxygenated sesquiterpenes (29.5%). S. aurea EO, on the contrary, was rich in sesquiterpenes, both hydrocarbons and oxygenated compounds (41.5% and 33.5%, respectively). S. dentata EO showed good efficacy (Minimal Inhibitory Concentration (MIC): 0.5%) against M. canis. The tested EOs were not active against E. coli and S. aureus, whereas a low inhibition of S. dentata EO was observed on S. pseudointermedius (MIC = 10%). Once again, S. dentata EO showed a very good H1N1 inhibition; contrariwise, S. aurea EO was completely inactive against this virus. The low quantity of S. scabra EO made it impossible to test its biological activity. S. dentata EO exhibited interesting new perspectives for medicinal and industrial uses. 相似文献
79.
Apodization, which is a tool frequently used for cosmetic representation and efficient modeling of a spectrum, is now also adopted in techniques for the quantitative retrieval of parameters from observed spectra. Whether apodization can help in quantitative spectroscopy is the subject of debate in the literature. We find that, when the considered spectral range is wide enough to accurately model the instrument line shape, the same results can be obtained with and without apodization of the spectrum. However, when a truncation error is introduced by the limited extension of the modeled spectral interval, apodization can efficiently reduce this error. Therefore it is possible to save computing time by using apodization. 相似文献
80.
Schneider MC Rosa SP Almeida MC Costa C Cella DM 《Micron (Oxford, England : 1993)》2007,38(6):590-598
The chromosome study of five species of the family Elateridae, belonging to the subfamilies Agrypninae and Elaterinae, and the analysis of the cytogenetic data previously recorded for this family permitted the establishment of the main strategies of karyotypic differentiation that has occurred in the elaterids. In Agrypninae, the three species studied (Conoderus fuscofasciatus, Conoderus rufidens, and Conoderus sp.) showed the male karyotype 2n=16+X0. This karyotypic uniformity detected in these Conoderus species has also been shared with other species of the same genus, differing considerably from chromosomal heterogeneity verified in the subfamily Agrypninae. The use of the C-banding technique in C. fuscofasciatus and Conoderus sp. revealed constitutive heterochromatin in the pericentromeric region of the majority of the chromosomes. In C. fuscofasciatus, additional constitutive heterochromatin were also observed in the long arm terminal region of almost all chromosomes. Among the representatives of Elaterinae, the karyotype 2n=18+Xy(p) of Pomachilius sp.2 was similar to that verified in the majority of the Coleoptera species, contrasting with the chromosomal formula 2n=18+X0 detected in Cardiorhinus rufilateris, which is most common in the species of Elaterinae. In the majority of the elaterids, the chromosomal differentiation has frequently been driven by reduction of the diploid number; but, among the four cytogenetically examined subfamilies, there are some differences in relation to the trends of karyotypic evolution. 相似文献