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1.
The modulation of protein-protein interactions (PPIs) by small molecules represents a valuable strategy for pharmacological intervention in several human diseases. In this context, computer-aided drug discovery techniques offer useful resources to predict the network of interactions governing the recognition process between protein partners, thus furnishing relevant information for the design of novel PPI modulators. In this work, we focused our attention on the MUC1-CIN85 complex as a crucial PPI controlling cancer progression and metastasis. MUC1 is a transmembrane glycoprotein whose extracellular domain contains a variable number of tandem repeats (VNTRs) regions that are highly glycosylated in normal cells and under-glycosylated in cancer. The hypo-glycosylation fosters the exposure of the backbone to new interactions with other proteins, such as CIN85, that alter the intracellular signalling in tumour cells. Herein, different computational approaches were combined to investigate the molecular recognition pattern of MUC1-CIN85 PPI thus unveiling new structural information useful for the design of MUC1-CIN85 PPI inhibitors as potential anti-metastatic agents.  相似文献   
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The impact of graphite nanoplatelets (GNPs) on the physical and mechanical properties of cementitious nanocomposites was investigated. A market-available premixed mortar was modified with 0.01% by weight of cement of commercial GNPs characterized by two distinctively different aspect ratios.The rheological behavior of the GNP-modified fresh admixtures was thoroughly evaluated. Hardened cementitious nanocomposites were investigated in terms of density, microstructure (Scanning Electron Microscopy, SEM and micro–Computed Tomography, μ-CT), mechanical properties (three-point bending and compression tests), and physical properties (electrochemical impedance spectroscopy, EIS and thermal conductivity measurements). At 28 days, all GNP-modified mortars showed about 12% increased density. Mortars reinforced with high aspect ratio GNPs exhibited the highest compressive and flexural strength: about 14% and 4% improvements compared to control sample, respectively. Conversely, low aspect ratio GNPs led to cementitious nanocomposites characterized by 36% decreased electrical resistivity combined with 60% increased thermal conductivity with respect to the control sample.  相似文献   
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Herein, we assessed the effect of full native peptide of amyloid-beta (Aβ) (1-42) and its fragments (25-35 and 35-25) on tissue transglutaminase (TG2) and its isoforms (TG2-Long and TG2-Short) expression levels on olfactory ensheathing cells (OECs). Vimentin and glial fibrillary acid protein (GFAP) were also studied. The effect of the pre-treatment with indicaxanthin from Opuntia ficus-indica fruit on TG2 expression levels and its isoforms, cell viability, total reactive oxygen species (ROS), superoxide anion (O2), and apoptotic pathway activation was assessed. The levels of Nestin and cyclin D1 were also evaluated. Our findings highlight that OECs exposure to Aβ(1-42) and its fragments induced an increase in TG2 expression levels and a different expression pattern of its isoforms. Indicaxanthin pre-treatment reduced TG2 overexpression, modulating the expression of TG2 isoforms. It reduced total ROS and O2 production, GFAP and Vimentin levels, inhibiting apoptotic pathway activation. It also induced an increase in the Nestin and cyclin D1 expression levels. Our data demonstrated that indicaxanthin pre-treatment stimulated OECs self-renewal through the reparative activity played by TG2. They also suggest that Aβ might modify TG2 conformation in OECs and that indicaxanthin pre-treatment might modulate TG2 conformation, stimulating neural regeneration in Alzheimer’s disease.  相似文献   
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In the last years, the interest in methods and techniques for circumventing the security of the available digital video broadcasting systems is continuously increasing. Digital TV providers are struggling to restrict access to their video contents only to authorized users, by deploying more and more sophisticated conditional access systems. At the state-of-the-art, the most significant menace is the card-sharing activity which exploits a known weakness allowing an authorized subscriber to provide access to digital contents to a potentially large group of unauthorized ones connected over a communication network. This is usually realized by using ad hoc customized devices. Detecting the presence of these illegal systems on a network, by recognizing their related traffic is an issue of primary importance. Unfortunately, to avoid the identification of such traffic, payload obfuscation strategies based on encryption are often used, hindering packet inspection techniques.This paper presents a strategy for the detection of card-sharing traffic, empowered by machine-learning-driven traffic classification techniques and based on the natural capability of wavelet analysis to decompose a traffic time series into several component series associated with particular time and frequency scales and hence allowing its observation at different frequency component levels and with different resolutions. These ideas have been used for the proof-of-concept implementation of an SVM-based binary classification scheme that relies only on time regularities of the traffic and not on the packet contents and hence is immune to payload obfuscation techniques.  相似文献   
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The Cherenkov Telescope Array (CTA) is currently building the next generation, ground-based, very high-energy gamma-ray instrumentation. CTA is expected to collect very large datasets (in the order of petabytes) which will have to be stored, managed and processed. This paper presents a graphical user interface built inside a science gateway aiming at providing CTA-users with a common working framework. The gateway is WS-PGRADE/gUSE workflow-oriented and is equipped with a flexible SSO (based on SAML) to control user access for authentication and authorization. An interactive desktop environment is provided, called Astronomical & Physics Cloud Interactive Desktop (ACID). Users are able to exploit the graphical interface as provided natively by the tools included in ACID. A cloud data service shares and synchronizes data files and output results between the user desktop and the science gateway. Our solution is a first attempt towards an ecosystem of new technologies with a high level of flexibility to suit present and future requirements of the CTA community.  相似文献   
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Coronavirus disease 2019 (COVID-19) has spread out as a pandemic threat affecting over 2 million people. The infectious process initiates via binding of SARS-CoV-2 Spike (S) glycoprotein to host angiotensin-converting enzyme 2 (ACE2). The interaction is mediated by the receptor-binding domain (RBD) of S glycoprotein, promoting host receptor recognition and binding to ACE2 peptidase domain (PD), thus representing a promising target for therapeutic intervention. Herein, we present a computational study aimed at identifying small molecules potentially able to target RBD. Although targeting PPI remains a challenge in drug discovery, our investigation highlights that interaction between SARS-CoV-2 RBD and ACE2 PD might be prone to small molecule modulation, due to the hydrophilic nature of the bi-molecular recognition process and the presence of druggable hot spots. The fundamental objective is to identify, and provide to the international scientific community, hit molecules potentially suitable to enter the drug discovery process, preclinical validation and development.  相似文献   
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The territorial capital of regions is an important determinant of growth, but also of the impact of EU Cohesion Policy. First, because it can act as a filter, enhancing the impact of regional policies. Second, the latter can help building territorial capital which, in turn, will foster regional development. This work analyses the medium and long-run relationship between the territorial capital of EU NUTS 3 regions and Cohesion Policy using data from the programming period 2000–2006. Results point out complementarities between different territorial assets of regions and the impact of EU regional policy: Cohesion Policy effectiveness is higher when investments are focused on the assets complementary to those already abundant in the region.  相似文献   
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