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Autophagy is a highly-conserved catabolic process eliminating dysfunctional cellular components and invading pathogens. Autophagy malfunction contributes to disorders such as cancer, neurodegenerative and inflammatory diseases. Understanding autophagy regulation in health and disease has been the focus of the last decades. We previously provided an integrated database for autophagy research, the Autophagy Regulatory Network (ARN). For the last seven years, this resource has been used by thousands of users. Here, we present a new and upgraded resource, AutophagyNet. It builds on the previous database but contains major improvements to address user feedback and novel needs due to the advancement in omics data availability. AutophagyNet contains updated interaction curation and integration of over 280,000 experimentally verified interactions between core autophagy proteins and their protein, transcriptional and post-transcriptional regulators as well as their potential upstream pathway connections. AutophagyNet provides annotations for each core protein about their role: 1) in different types of autophagy (mitophagy, xenophagy, etc.); 2) in distinct stages of autophagy (initiation, elongation, termination, etc); 3) with subcellular and tissue-specific localization. These annotations can be used to filter the dataset, providing customizable download options tailored to the user’s needs. The resource is available in various file formats (e.g., CSV, BioPAX and PSI-MI), and data can be analyzed and visualized directly in Cytoscape. The multi-layered regulation of autophagy can be analyzed by combining AutophagyNet with tissue- or cell type-specific using (multi-)omics datasets (e.g. transcriptomic or proteomic data). The resource is publicly accessible athttp://autophagynet.org.

Here we study the H2 dissociation mechanism on cationic and neutral Cu4 clusters using master equation based microkinetic modelling. Cationic cluster hinders the H2 dissociation compared to the neutral one. This can be explained by the electron donation to the H2 LUMO. The H2 dissocation is greatly influenced by the temperature, but Cu4 dissociate H2 already at mild conditions

Activation of CO2 is the first step towards its reduction to more useful chemicals. Here we systematically investigate the CO2 activation mechanism on Cu3X (X is a first-row transition metal atom) using density functional theory computations. The CO2 adsorption energies and the activation mechanisms depend strongly on the selected dopant. The dopant electronegativity, the HOMO-LUMO gap and the overlap of the frontier molecular orbitals control the CO2 dissociation efficiency. Our calculations reveal that early transition metal-doped (Sc, Ti, V) clusters exhibit a high CO2 adsorption energy, a low activation barrier for its dissociation, and a facile regeneration of the clusters. Thus, early transition metal-doped copper clusters, particularly Cu3Sc, may be efficient catalysts for the carbon capture and utilization process. ispartof: PHYSICAL CHEMISTRY CHEMICAL PHYSICS vol:23 issue:38 pages:21738-21747 ispartof: location:England status: published

To understand elementary reaction steps in the hydrogenation of CO2 over copper-based catalysts, we experimentally study the adsorption of CO2 and H2 onto cationic Cun+ clusters. For this, we react Cun+ clusters formed by laser ablation with a mixture of H2 and CO2 in a flow tube-type reaction channel and characterize the products formed by IR multiple-photon dissociation spectroscopy employing the IR free-electron laser FELICE. We analyze the spectra by comparing them to literature spectra of Cun+ clusters reacted with H2 and with new spectra of Cun+ clusters reacted with CO2. The latter indicate that CO2 is physisorbed in an end-on configuration when reacted with the clusters alone. Although the spectra for the co-adsorption products evidence H2 dissociation, no signs for CO2 activation or reduction are observed. This lack of reactivity for CO2 is rationalized by density functional theory calculations, which indicate that CO2 dissociation is hindered by a large reaction barrier. CO2 reduction to formate should energetically be possible, but the lack of formate observation is attributed to kinetic hindering., To understand elementary reaction steps in the hydrogenation of CO2 over copper-based catalysts, we experimentally study the adsorption of CO2 and H2 onto cationic Cun+ (n = 4–7) clusters.

Carbon-doped anionic copper clusters exhibit a size- and dopant-loading dependent activity towards CO2, resulting in activation and dissociation.

In the past few years, network-based tools have become increasingly important in the identification of novel molecular targets for drug development. Systems-based approaches to predict signal transduction-related drug targets have developed into an especially promising field. Here, we summarize our studies, which indicate that modular bridges and overlaps of protein-protein interaction and signaling networks may be of key importance in future drug design. Intermodular nodes are very efficient in mediating the transmission of perturbations between signaling modules and are important in network cooperation. The analysis of stress-induced rearrangements of the yeast interactome by the ModuLand modularization algorithm indicated that components of modular overlap are key players in cellular adaptation to stress. Signaling crosstalk was much more pronounced in humans than in Caenorhabditis elegans or Drosophila melanogaster in the SignaLink (http://www.SignaLink.org) database, a uniformly curated database of eight major signaling pathways. We also showed that signaling proteins that participate in multiple pathways included multiple established drug targets and drug target candidates. Lastly, we caution that the pervasive overlap of cellular network modules implies that wider use of multitarget drugs to partially inhibit multiple individual proteins will be necessary to modify specific cellular functions, because targeting single proteins for complete disruption usually affects multiple cellular functions with little specificity for a particular process. Tools for analyzing network topology and especially network dynamics have great potential to identify alternative sets of targets for developing multitarget drugs.

In the past few years, network-based tools have become increasingly important in the identification of novel molecular targets for drug development. Systems-based approaches to predict signal transduction-related drug targets have developed into an especially promising field. Here, we summarize our studies, which indicate that modular bridges and overlaps of protein-protein interaction and signaling networks may be of key importance in future drug design. Intermodular nodes are very efficient in mediating the transmission of perturbations between signaling modules and are important in network cooperation. The analysis of stress-induced rearrangements of the yeast interactome by the ModuLand modularization algorithm indicated that components of modular overlap are key players in cellular adaptation to stress. Signaling crosstalk was much more pronounced in humans than in Caenorhabditis elegans or Drosophila melanogaster in the SignaLink (http://www.SignaLink.org) database, a uniformly curated database of eight major signaling pathways. We also showed that signaling proteins that participate in multiple pathways included multiple established drug targets and drug target candidates. Lastly, we caution that the pervasive overlap of cellular network modules implies that wider use of multitarget drugs to partially inhibit multiple individual proteins will be necessary to modify specific cellular functions, because targeting single proteins for complete disruption usually affects multiple cellular functions with little specificity for a particular process. Tools for analyzing network topology and especially network dynamics have great potential to identify alternative sets of targets for developing multitarget drugs.

The widespread usage of new telecommunication technologies implies the demand on payment via Internet since the ’90s. First, these solutions were applied only by pioneer users, while average men still chose traditional payment methods such as payment by cash, cheque, or bank transfer. In the latest decade, the notable improvement of mobile communications allowed the provision of customized services. A new payment method has appeared which is called mobilepayment. Consequently, increasing number of banks provide access to their services via mobile equipment. Reliable network security is an essential prerequisite for the expansion of the rapidly growing world of electronic payment. Public key infrastructure (PKI) offers the capabilities needed to provide this security. Establishing trust in a wireless public key infrastructure (WPKI) is crucial for the success of applications that will exploit the opportunities created by handheld wireless devices. This trust is based on the reliability of the technology but also on a carefully implemented system of laws, policies, standards, and procedures. The development of trusted electronic transactions is motivated by legislation. The EU adopted a legislative framework to guarantee the security and acceptance of electronic signatures in 1999. The U.S. adopted legislation for the recognition of electronic signatures in national and global trade in June 2000 (Sievers, 2000). This article deals with mobile payment and mobile banking services and focuses particularly on the mobile side of the system. First, we introduce the technological background necessary for developing m-services, and we define the m-payment reference model. After that, the differences between chip-card and software based implementations will be presented. Finally, we conclude the article and summarize the main terms used in the article.

In this paper a new location management algorithm called Hierarchical Paging is introduced. A mathematical model for the proposed scheme is also presented, which makes it possible to compare it to other solutions and to examine how various parameters affect its performance. It is shown that our solution can be more efficient than traditional paging.