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81.
Structure-activity relationship study of 16 a-thiocamptothecins: an integrated in vitro and in silico approach 总被引:1,自引:0,他引:1
Samorì C Beretta GL Varchi G Guerrini A Di Micco S Basili S Bifulco G Riccio R Moro S Bombardelli E Zunino F Fontana G 《ChemMedChem》2010,5(12):2006-2015
The instability of the hydroxylactone E ring represents a critical drawback of camptothecins, because the lactone ring is recognized to be essential for stabilization of topoisomerase I‐mediated DNA cleavage. In an attempt to investigate the effect of the thiopyridone pharmacophofore on the molecular and pharmacological features of the drug, we prepared a series of novel 16 a‐thiocamptothecin analogues. Due to the sulfur atom, a destabilization of the hydrogen bond between the hydroxy group in position 17 of the opened E ring and the carbonyl of the pyridone moiety is predicted, thus shifting the equilibrium toward the closed lactone form and increasing the lipophilic properties of the compounds. This feature was associated with superior antiproliferative potency, with reduced interaction with the human serum albumin and with substantial increase of the persistence of the topoisomerase I–DNA cleavable complex. These effects were prominent for thio‐SN38, the most active compound of the series. The favorable interactions at the molecular and cellular level of the reported thiocamptothecins confer promising features, and these compounds warrant preclinical development. 相似文献
82.
Michael Netzel Gabriele Netzel Dimitrios Zabaras Leif Lundin Li Day Rama Addepalli Simone A. Osborne Robert Seymour 《Food research international (Ottawa, Ont.)》2011,44(4):868-874
The release and absorption (bioavailability) of carotenoids is a prerequisite for their nutritional impact. This can be strongly affected by the processing conditions used to prepare the food matrix that contains them. To determine the effect of processing on carotenoid bioavailability, homogenized, raw, blanched and cooked carrots were exposed to an in vitro gastric and intestinal digestion model. Final digest samples were placed onto a Caco-2 cell trans-well monolayer culture to mimic intestinal absorption. The results show that the cooked carrot puree consisting of primarily single plant cell particles had the highest release of carotenes, followed by blanched consisting primarily of plant cell clusters and raw carrot puree consisting of larger plant cell clusters. Absorption through the Caco-2 cell layer was the highest from the digesta of cooked carrot puree followed by the digesta of blanched carrot puree. This study demonstrates that thermal processing and/or mechanical homogenization to disrupt plant cell wall matrix enhances the in vitro bioavailability of carotenes from carrots. 相似文献
83.
Physiological relevance of food grade microcapsules: Impact of milk protein based microcapsules on inflammation in mouse models for inflammatory bowel diseases 下载免费PDF全文
Rebecca Würth Ilias Lagkouvardos Thomas Clavel Julia Wilke Petra Foerst Ulrich Kulozik Dirk Haller Gabriele Hörmannsperger 《Molecular nutrition & food research》2015,59(8):1629-1634
In order to increase beneficial effects of bioactive compounds in functional food and dietary supplements, enormous efforts are put in the technological development of microcapsules. Although these products are often tailor‐made for disease susceptible consumer, the physiological impact of microcapsule uptake on the respective target consumer has never been addressed. The present study aimed to assess the relevance of this aspect by analyzing the impact of milk protein based microcapsules on experimental inflammatory bowel disease. Long‐term feeding of sodium caseinate or rennet gel microcapsules resulted in significant alterations in the intestinal microbiota of healthy mice. In TNFΔARE/wt mice, a model for chronic ileal inflammation, rennet gel microcapsules resulted in further increased splenomegaly, whereas ileal inflammation was unchanged. In IL10?/? mice, a model for chronic colitis, both types of microcapsules induced a local increase of the intestinal inflammation. The present study is the first to demonstrate that, independent of their cargo, microcapsules have the potential to affect the intestinal microbiota and to exert unprecedented detrimental effects on disease‐susceptible individuals. In conclusion, the impact of microcapsule uptake on the respective target consumer groups should be thoroughly investigated in advance to their commercial use in functional food or dietary supplements. 相似文献
84.
With the aim of validating a new standardized Coaxial Double Ring testing procedure, without overpressure and with fixed geometry, an ad hoc theoretical approach has been proposed here to rearrange the laboratory outcomes accounting for the effects of the geometric non-linearities associated with such a testing configuration. By borrowing this idea, once the experimental values of the failure load have been determined, it has been possible to obtain an expression in closed form (fully defined by only two coefficients) of the maximum tensile stress (σmax) in the core of the specimen. Following this, in order to make the laboratory outcomes comparable and homogeneous, the σmax-values have been then re-scaled to a common reference condition (equibiaxial stress on a reference area, σeqbx), by means of the use of a correction coefficient (K) able to determine, under a condition of equal probability of failure, the effective area (Aeff) of the tested specimens. After being corrected to account for the effects of the stress corrosion cracking (static fatigue effect), all re-scaled data have been finally interpreted using a Weibull-type statistical distribution to determine the main fractile values of the glass strength. Doing so, despite some unavoidable approximations, this procedure furnished a highly effective means of determining the bending strength of float glass. Unlike the pure numerical approach proposed in codes and literature, which requires to correct the experimental data via FEM simulation, the rationale behind the proposed approach is in fact to elaborate the experimental data through an analytic treatment of the problem, which would greatly facilitate the interpretation of the data as well as the standardization of the testing procedure. 相似文献
85.
Francesco Traccis Valeria Serra Claudia Sagheddu Mauro Congiu Pierluigi Saba Gabriele Giua Paola Devoto Roberto Frau Joseph Francois Cheer Miriam Melis 《International journal of molecular sciences》2021,22(4)
Cannabis use among pregnant women is increasing worldwide along with permissive sociocultural attitudes toward it. Prenatal cannabis exposure (PCE), however, is associated with adverse outcome among offspring, ranging from reduced birth weight to child psychopathology. We have previously shown that male rat offspring prenatally exposed to Δ9-tetrahydrocannabinol (THC), a rat model of PCE, exhibit extensive molecular, cellular, and synaptic changes in dopamine neurons of the ventral tegmental area (VTA), resulting in a susceptible mesolimbic dopamine system associated with a psychotic-like endophenotype. This phenotype only reveals itself upon a single exposure to THC in males but not females. Here, we characterized the impact of PCE on female behaviors and mesolimbic dopamine system function by combining in vivo single-unit extracellular recordings in anesthetized animals and ex vivo patch clamp recordings, along with neurochemical and behavioral analyses. We find that PCE female offspring do not show any spontaneous or THC-induced behavioral disease-relevant phenotypes. The THC-induced increase in dopamine levels in nucleus accumbens was reduced in PCE female offspring, even when VTA dopamine activity in vivo and ex vivo did not differ compared to control. These findings indicate that PCE impacts mesolimbic dopamine function and its related behavioral domains in a sex-dependent manner and warrant further investigations to decipher the mechanisms determining this sex-related protective effect from intrauterine THC exposure. 相似文献
86.
87.
Maurice H. ter Beek Gabriele Lenzini Marinella Petrocchi 《Electronic Notes in Theoretical Computer Science》2005,128(5):105
In [Kleijn, J., Team Automata for CSCW – A Survey –, Petri Net Technology for Communication-Based Systems—Advances in Petri Nets, LNCS 2472, Springer, 2003, 295–320], Kleijn presented a survey of the use of team automata for the specification and analysis of phenomena from the field of computer supported cooperative work, in particular notions related to groupware systems. In this paper we present a survey of the use of team automata for the specification and analysis of some issues from the field of security. In particular, we show how team automata can adequately be used to model and verify various access control policies, multicast/broadcast communication protocols, and general (cryptographic) communication protocols. 相似文献
88.
Janina Tokarz Gabriele Mller Anna Artati Simone Huber Anja Zeigerer Bert Blaauw Jerzy Adamski Kenneth Allen Dyar 《International journal of molecular sciences》2021,22(15)
Biological aging research is expected to reveal modifiable molecular mechanisms that can be harnessed to slow or possibly reverse unhealthy trajectories. However, there is first an urgent need to define consensus molecular markers of healthy and unhealthy aging. Established aging hallmarks are all linked to metabolism, and a ‘rewired’ metabolic circuitry has been shown to accelerate or delay biological aging. To identify metabolic signatures distinguishing healthy from unhealthy aging trajectories, we performed nontargeted metabolomics on skeletal muscles from 2-month-old and 21-month-old mice, and after dietary and lifestyle interventions known to impact biological aging. We hypothesized that common metabolic signatures would highlight specific pathways and processes promoting healthy aging, while revealing the molecular underpinnings of unhealthy aging. Here, we report 50 metabolites that commonly distinguished aging trajectories in all cohorts, including 18 commonly reduced under unhealthy aging and 32 increased. We stratified these metabolites according to known relationships with various aging hallmarks and found the greatest associations with oxidative stress and nutrient sensing. Collectively, our data suggest interventions aimed at maintaining skeletal muscle arginine and lysine may be useful therapeutic strategies to minimize biological aging and maintain skeletal muscle health, function, and regenerative capacity in old age. 相似文献
89.
Dr. Andrea Angeli Prof. Marta Ferraroni Prof. Antonella Capperucci Dr. Damiano Tanini Prof. Gabriele Costantino Prof. Claudiu T. Supuran 《ChemMedChem》2022,17(11):e202200085
A study on the activity of selenocarbamates as a novel chemotype acting as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors is reported. Undergoing CA-mediated hydrolysis, selenocarbamates release selenolates behaving as zinc binding groups and effectively inhibiting CAs. A series of selenocarbamates characterised by high molecular diversity and complexity have been studied against different human CA isoforms such as hCA I, II, IX and XII. Selenocarbamates behave as masked selenols with potential biological applications as prodrugs for CAs inhibition-based strategies. X-ray studies provided insights into the binding mode of this novel class of CA inhibitors. 相似文献
90.
Marco Sangermano Nicolò Razza Gabriele Graham Irati Barandiaran Galder Kortaberria 《Polymer International》2017,66(12):1935-1939
Epoxy–boron nitride nanotube (BNNT) composites were prepared using visible light through a radical‐induced cationic polymerization method activated by camphorquinone. The fully cured films showed an enhancement of glass transition temperature in the presence of the filler. Electrical characterization showed a slight dielectric constant decrease with BNNT content. Finally, thermal conductivity measured using nano‐flash analysis showed a linear increase in the thermal conductivity of the materials with increasing BNNT content in the photocurable formulations. © 2017 Society of Chemical Industry 相似文献