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91.
Dr. Paula Morales Dr. Gemma Navarro Marc Gómez-Autet Laura Redondo Prof. Dr. Javier Fernández-Ruiz Dr. Laura Pérez-Benito Dr. Arnau Cordomí Prof. Dr. Leonardo Pardo Prof. Dr. Rafael Franco Dr. Nadine Jagerovic 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(68):15839-15842
Single chemical entities with potential to simultaneously interact with two binding sites are emerging strategies in medicinal chemistry. We have designed, synthesized and functionally characterized the first bitopic ligands for the CB2 receptor. These compounds selectively target CB2 versus CB1 receptors. Their binding mode was studied by molecular dynamic simulations and site-directed mutagenesis. 相似文献
92.
Ana Ediléia Barbosa Pereira Leal Ana Paula de Oliveira Raira Feitosa dos Santos Juliana Mikaelly Dias Soares Erica Martins de Lavor Michelle Cruz Pontes 《Natural product research》2020,34(7):995-1001
AbstractEthanol extracts of different parts of Passiflora cincinnata were obtained by maceration. The total phenolic and flavonoid contents were evaluated. The antioxidant activities were determined by β-carotene-linoleic acid bleaching test, 2,2-diphenyl-1-picrylhydrazil (DPPH), and 2,2’-azinobis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) radical scavenging. The crude ethanol stem extract showed the highest amount of total polyphenols (45.53?mg gallic acid equivalent/g) while the highest total flavonoid contents (1.42?mg of quercetin equivalent/g) were observed in the leaf extract. The lowest IC50 (25.65?μg/ml) by the DPPH method was observed for the stem extract. The ABTS method showed a significant antioxidant activity for all investigated extracts. The secondary metabolite composition of ethanol extracts was assessed by HPLC-DAD-MS/MS analysis, leading to the identification of fourteen secondary metabolites in P. cincinnata extracts. These results showed the potentiality of this species as a source of phenolic compounds and antioxidants. 相似文献
93.
Anca Corina Frca Sonia Ancua Socaci Maria Simona Chi Francisc Vasile Dulf Paula Podea Maria Tofan 《Molecules (Basel, Switzerland)》2022,27(6)
Apple industrial by-products are a promising source of bioactive compounds with direct implications on human health. The main goal of the present work was to characterize the Jonathan and Golden Delicious by-products from their fatty acid, amino acid, and volatile aroma compounds’ point of view. GC-MS (gas chromatography-mass spectrometry) and ITEX/GC-MS methods were used for the by-products characterization. Linoleic and oleic were the main fatty acids identified in all samples, while palmitic and stearic acid were the representant of saturated ones. With respect to amino acids, from the essential group, isoleucine was the majority compound identified in JS (Jonathan skin) and GS (Golden skin) samples, lysine was the representant of JP (Jonathan pomace), and valine was mainly identified in GP (Golden pomace). A total number of 47 aroma volatile compounds were quantified in all samples, from which the esters groups ranged from 41.55–53.29%, aldehydes 29.75–43.99%, alcohols from 4.15 to 6.37%, ketones 4.14–5.72%, and the terpenes and terpenoids group reached values between 2.27% and 4.61%. Moreover, the by-products were valorized in biscuits manufacturing, highlighting their importance in enhancing the volatile aroma compounds, color, and sensorial analysis of the final baked goods. 相似文献
94.
Ana Sofia Almeida Brbara Silva Paula Guedes de Pinho Fernando Remio Carla Fernandes 《Molecules (Basel, Switzerland)》2022,27(7)
New psychoactive substances represent a public health threat since they are not controlled by international conventions, are easily accessible online and are sold as a legal alternative to illicit drugs. Among them, synthetic cathinones are widely abused due to their stimulant and hallucinogenic effects. To circumvent the law, new derivatives are clandestinely synthesized and, therefore, synthetic cathinones keep emerging on the drug market, with their chemical and toxicological properties still unknown. In this review, a literature assessment about synthetic cathinones is presented focusing on the recent developments, which include more than 50 derivatives since 2014. A summary of their toxicokinetic and toxicodynamic properties are also presented. Furthermore, synthetic cathinones are chiral compounds, meaning that they can exist as two enantiomeric forms which may present different biological and toxicological activities. To analyze the enantiomers, the development of enantiomeric resolution methods for synthetic cathinones is crucial. Many methods have been reported over the years that include mostly chromatographic and electromigration techniques, with liquid chromatography using chiral stationary phases being the technique of choice. This review intended to present an overview of enantioselectivity studies and enantioseparation analysis regarding synthetic cathinones, highlighting the relevance of chirality and current trends. 相似文献
95.
Joanna Klebeko Paula Ossowicz-Rupniewska Ewelina
witek Joanna Szachnowska Ewa Janus Stefka G. Taneva Elena Krachmarova Maya Guncheva 《Molecules (Basel, Switzerland)》2022,27(1)
In recent years, numerous studies have shown that conversion of conventional drugs in ionic liquid (IL) formulation could be a successful strategy to improve their physicochemical properties or suggest a new route of administration. We report the synthesis and detailed characterization of eight salicylic acid-based ILs (SA-ILs) containing cation non-polar or aromatic amino acid esters. Using in vitro assays, we preliminary evaluated the therapeutic potency of the novel SA-ILs. We observed that conversion of the SA into ionic liquids led to a decrease in its cytotoxicity toward NIH/3T3 murine embryo fibroblasts and human HaCaT keratinocytes. It should be mentioned is that all amino acid alkyl ester salicylates [AAOR][SA] inhibit the production of the proinflammatory cytokine IL-6 in LPS-stimulated keratinocytes. Moreover, keratinocytes, pretreated with [PheOMe][SA] and [PheOPr][SA] seem to be protected from LPS-induced inflammation. Finally, the novel compounds exhibit a similar binding affinity to bovine serum albumin (BSA) as the parent SA, suggesting a similar pharmacokinetic profile. These preliminary results indicate that SA-ILs, especially those with [PheOMe], [PheOPr], and [ValOiPr] cation, have the potential to be further investigated as novel topical agents for chronic skin diseases such as psoriasis and acne vulgaris. 相似文献
96.
Adriano Costa de Camargo Hernn Speisky Raquel Bridi Paula Núez Pizarro Arturo Larena Ana Clara da C. Pinaffi-Langley Fereidoon Shahidi Andrs R. Schwember 《Molecules (Basel, Switzerland)》2022,27(3)
The Valparaiso region in Chile was decreed a zone affected by catastrophe in 2019 as a consequence of one of the driest seasons of the last 50 years. In this study, three varieties (‘Alfa-INIA’, ‘California-INIA’, and one landrace, ‘Local Navidad’) of kabuli-type chickpea seeds produced in 2018 (control) and 2019 (climate-related catastrophe, hereafter named water stress) were evaluated for their grain yield. Furthermore, the flavonoid profile of both free and esterified phenolic extracts was determined using liquid chromatography-mass spectrometry, and the concentration of the main flavonoid, biochanin A, was determined using liquid chromatography with diode array detection. The grain yield was decreased by up to 25 times in 2019. The concentration of biochanin A was up to 3.2 times higher in samples from the second season (water stress). This study demonstrates that water stress induces biosynthesis of biochanin A. However, positive changes in the biochanin A concentration are overshadowed by negative changes in the grain yield. Therefore, water stress, which may be worsened by climate change in the upcoming years, may jeopardize both the production of chickpeas and the supply of biochanin A, a bioactive compound that can be used to produce dietary supplements and/or nutraceuticals. 相似文献
97.
Ana P. X. Mariano Ana L. C. C. Ramos Afonso H. de Oliveira Júnior Yesenia M. García Ana C. C. F. F. de Paula Mauro R. Silva Rodinei Augusti Raquel L. B. de Araújo Júlio O. F. Melo 《Molecules (Basel, Switzerland)》2022,27(3)
Eugenia klotzschiana O. Berg is a native species to the Cerrado biome with significant nutritional value. However, its volatile organic compounds (VOCs) chemical profile is not reported in the scientific literature. VOCs are low molecular weight chemical compounds capable of conferring aroma to fruit, constituting quality markers, and participating in the maintenance and preservation of fruit species. This work studied and determined the best conditions for extraction and analysis of VOCs from the pulp of Eugenia klotzschiana O. Berg fruit and identified and characterized its aroma. Headspace solid-phase microextraction (HS-SPME) was employed using different fiber sorbents: DVB/CAR/PDMS, PDMS/DVB, and PA. Gas chromatography and mass spectrometry (GC-MS) were employed to separate, detect, and identify VOCs. Variables of time and temperature of extraction and sample weight distinctly influenced the extraction of volatiles for each fiber. PDMS/DVB was the most efficient, followed by PA and CAR/PDMS/DVB. Thirty-eight compounds that comprise the aroma were identified among sesquiterpenes (56.4%) and monoterpenes (30.8%), such as α-fenchene, guaiol, globulol, α-muurolene, γ-himachalene, α-pinene, γ-elemene, and patchoulene. 相似文献
98.
Paula R. Cable Mark Parker R. Kenneth Marcus Joseph M. Pochkowski 《Journal of the American Society for Mass Spectrometry》1995,6(2):140-147
The use of a two-dimensional charge injection device (CID) to directly image the spatial profile of impingent positively charged ions is described. By this approach, no prior conversion from an ion beam to a photon image is required. Because of the positive response of the device to plasma photons, ions that emanated from the radiofrequency glow discharge source were diverted around a photon stop and focused onto the CID. The resultant ion images were digitized via an external image processor and corrected for dark current contributions. Two-dimensional ion images and single pixel line profiles are presented. 相似文献
99.
Q. Paula Lei I. Jonathan Amster 《Journal of the American Society for Mass Spectrometry》1996,7(8):722-730
A systematic investigation of the gas-phase reactions of Cu+ and Fe+ with the 20 common amino acids is reported. Metal ions are formed by laser ablation of a metal target and are trapped in the analyzer cell of a Fourier transform mass spectrometer. By using quadrupolar excitation to axialize the metal ions, tens of thousands of thermalizing collisions occur prior to their reactions with laser-desorbed amino acid neutral molecules. Amino acids with nonpolar side chains are found to be more reactive toward Cu+ and Fe+ than amino acids with polar side chain. Many of the nonpolar amino acids are found to undergo dissociative metal attachment with a neutral loss of 46 u. A 13C-labeling experiment shows that the carboxyl group is lost during dissociative metal attachment to amino acids. Together these results suggest that these metal ions interact primarily with the carboxyl functional group in these molecules. 相似文献
100.
One of the objectives of the Intergeo project was to provide European mathematics teachers with ??good quality?? pedagogical material supporting the use of dynamic geometry software in classrooms. With this aim in view, an online repository/platform was developed to gather various dynamic geometry resources, based on the idea of a teachers?? community feeding the repository, (re)using available resources and sharing practices related to the use of dynamic geometry in classrooms. The repository is thus open to contributions of any user who can deposit, browse, download and use resources, which naturally raises the question how to handle the resource quality issue in such an open environment. This paper reports on the way we tackled this issue in the Intergeo project. We first explain what we mean by a ??good quality?? dynamic geometry resource. We then provide a rationale behind the design of a questionnaire, the main tool for resource quality reviews, which are at the core of the quality assessment process implemented in the repository. Several experiments carried out with groups of teachers in order to confront our research-based view of the resource quality with the teachers?? one and to observe teachers?? usages of the quality assessment process are also reported in the paper. The outcomes of these experiments highlight strengths and limitations of the resource quality assessment process. They also tend to show that the idea of involving teachers into the resource quality assessment is a promising way of stimulating the use of dynamic geometry in classrooms, provided that teachers benefit from a support to make the quality process their own. 相似文献