Acetylcholinesterase (AChE) inhibition is one of the most currently available therapies for the management of Alzheimer’s disease (AD) symptoms. In this context, NMR spectroscopy binding studies were accomplished to explain the inhibition of AChE activity by Salvia sclareoides extracts. HPLC-MS analyses of the acetone, butanol and water extracts eluted with methanol and acidified water showed that rosmarinic acid is present in all the studied samples and is a major constituent of butanol and water extracts. Moreover, luteolin 4′-O-glucoside, luteolin 3′,7-di-O-glucoside and luteolin 7-O-(6′′-O-acetylglucoside) were identified by MS2 and MS3 data acquired during the LC-MSn runs. Quantification of rosmarinic acid by HPLC with diode-array detection (DAD) showed that the butanol extract is the richest one in this component (134 μg mg−1 extract). Saturation transfer difference (STD) NMR spectroscopy binding experiments of S. sclareoides crude extracts in the presence of AChE in buffer solution determined rosmarinic acid as the only explicit binder for AChE. Furthermore, the binding epitope and the AChE-bound conformation of rosmarinic acid were further elucidated by STD and transferred NOE effect (trNOESY) experiments. As a control, NMR spectroscopy binding experiments were also carried out with pure rosmarinic acid, thus confirming the specific interaction and inhibition of this compound against AChE. The binding site of AChE for rosmarinic acid was also investigated by STD-based competition binding experiments using Donepezil, a drug currently used to treat AD, as a reference. These competition experiments demonstrated that rosmarinic acid does not compete with Donepezil for the same binding site. A 3D model of the molecular complex has been proposed. Therefore, the combination of the NMR spectroscopy based data with molecular modelling has permitted us to detect a new binding site in AChE, which could be used for future drug development.

The continuing size reduction of electronic devices imposes design challenges to optimize the performances of modern electronic systems, such as: wireless services, telecom and mobile computing. Fortunately, those design challenges can be overcome thanks to the development of Electronic Design Automation (EDA) tools. In the analog, mixed signal and radio-frequency (AMS/RF) domains, circuit optimization tools have demonstrated their usefulness in addressing design problems taking into account downscaling technological aspects. Recent advances in EDA have shown that the simulation-based sizing technique is a very interesting solution to the ‘complex’ modelling task in the circuit design optimization problem. In this paper we propose a multi-objective simulation-based optimization tool. A CMOS LC-VCO circuit is presented to show the viability of this tool. The tool is used to generate the Pareto front linking two conflicting objectives, namely the VCO Phase Noise and Power Consumption. The accuracy of the results is checked against HSPICE/RF simulations.

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Marinobacter hydrocarbonoclasticus is a marine bacterium widespread in the Mediterranean sea and Atlantic Ocean, and growing at temperate temperatures. This bacterium can perform complete denitrification, reducing nitrate to molecular nitrogen under anaerobic conditions. Here the nitrite concentration, pH and nitrous oxide reductase activity was monitored during bacterial growth, showing that this bacterium can also perform complete denitrification under low oxygen tension, using lactate as carbon source, in the presence of nitrate as alternative electron acceptor. Nitrous oxide reductase activity was observed after 7 h of growth under low oxygen tensions, and is maintained constant after 48h. Nitrite concentration reaches its maximum at mid-exponential phase and in the stationary phase, at lower oxygen tensions is almost non-existent.

Purpose - The purpose of this paper is to examine how different business models, embodied in awards, standards and frameworks, can contribute to modelling a lean and green approach for an organization and its supply chain. Design/methodology/approach - In total, 12 business models were studied. A literature review was conducted to provide a comprehensive understanding of each model. After defining lean and green management paradigms, a number of guidelines were developed to connect and integrate lean and green principles. Findings - The study reveals a number of categories that are common in most business models, providing adequate conditions for a lean-green transformation. The guidelines were developed to model a lean-green organization by applying specific principles and tools of a lean and green culture. Research limitations/implications - The relationships identified within and between models reflect a partial view of a lean-green transformation. The approach adopted merges the different principles, and tends to emphasize similarities and minimize differences. Practical implications - The proposed model can be the basis for further research in lean and green paradigms, contributing to understanding when an organization and its supply chain can apply the lean and green principles and tools. Originality/value - This study is the first attempt to understand, develop and integrate a lean and green organizational culture approach, based in standardized management business models.

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

We study the most important processes for the creation of excited states in He-like through C- like praseodymium ions from the ions ground configurations, leading to the emission of K X-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac- Fock method, including QED corrections. Using these calculated values, a theoretical Kα X-ray spectrum is obtained, which is compared to recent experimental data obtained in the Livermore Super-EBIT electron beam ion trap facility.

We study the most important processes for the creation of excited states in He-like through C- like praseodymium ions from the ions ground configurations, leading to the emission of K X-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac- Fock method, including QED corrections. Using these calculated values, a theoretical Kα X-ray spectrum is obtained, which is compared to recent experimental data obtained in the Livermore Super-EBIT electron beam ion trap facility.

Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.
The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.
The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.

Supply chains (SCs) may experience instability induced by disturbances such as extreme climate conditions or accidents. These events can cause severe negative effects on SCs, jeopardising the on-time delivery of products and services to customers. This paper proposes a mapping framework to improve SC resilience to such events, avoiding possible failure modes. The proposed mapping framework allows identification of the current SC operation and possible transition states, together with points of vulnerability. An illustrative example of the framework applied to a real-life wine SC is presented.