In recent decades, firms have intensified the exploration of external sources of knowledge to enhance their innovation capabilities. This paper presents an empirical analysis of the factors that ...affect the importance of academic knowledge for firms’ innovation activities. An integrated approach that simultaneously considers country- and firm-level factors is adopted. Regarding the former factors, the analysis shows that the entrepreneurial orientation of university and the quality of academic research increase the importance of knowledge transfers from universities to firms. This suggests that the environmental and institutional context contributes to cross-national disparities in university-industry interactions and the effectiveness of knowledge transfer. In regard to the latter factors, the results indicate that firms oriented toward open search strategies and radical innovations are more likely to draw knowledge from universities. Furthermore, firms belonging to high technology sectors and firms with high absorptive capacity place greater value on the various links with universities. With respect to firm size, the estimates show an inverted U-shaped relation with the importance of universities as a source of knowledge.
The ability of coronaviruses to infect humans is invariably associated with their binding strengths to human receptor proteins. Both SARS-CoV-2, initially named 2019-nCoV, and SARS-CoV were reported ...to utilize angiotensin-converting enzyme 2 (ACE2) as an entry receptor in human cells. To better understand the interplay between SARS-CoV-2 and ACE2, we performed computational alanine scanning mutagenesis on the “hotspot” residues at protein–protein interfaces using relative free energy calculations. Our data suggest that the mutations in SARS-CoV-2 lead to a greater binding affinity relative to SARS-CoV. In addition, our free energy calculations provide insight into the infectious ability of viruses on a physical basis and also provide useful information for the design of antiviral drugs.
Euro‐Mediterranean Centre on Climate Change coupled climate model (CMCC‐CM2) represents the new family of the global coupled climate models developed and used at CMCC. It is based on the atmospheric, ...land and sea ice components from the Community Earth System Model coupled with the global ocean model Nucleus for European Modeling of the Ocean. This study documents the model components, the coupling strategy, particularly for the oceanic, atmospheric, and sea ice components, and the overall model ability in reproducing the observed mean climate and main patterns of interannual variability. As a first step toward a more comprehensive, process‐oriented, validation of the model, this work analyzes a 200‐year simulation performed under constant forcing corresponding to present‐day climate conditions. In terms of mean climate, the model is able to realistically reproduce the main patterns of temperature, precipitation, and winds. Specifically, we report improvements in the representation of the sea surface temperature with respect to the previous version of the model. In terms of mean atmospheric circulation features, we notice a realistic simulation of upper tropospheric winds and midtroposphere geopotential eddies. The oceanic heat transport and the Atlantic meridional overturning circulation satisfactorily compare with present‐day observations and estimates from global ocean reanalyses. The sea ice patterns and associated seasonal variations are realistically reproduced in both hemispheres, with a better skill in winter. Main weaknesses of the simulated climate are related with the precipitation patterns, specifically in the tropical regions with large dry biases over the Amazon basin. Similarly, the seasonal precipitation associated with the monsoons, mostly over Asia, is weaker than observed. The main patterns of interannual variability in terms of dominant empirical orthogonal functions are faithfully reproduced, mostly in the Northern Hemisphere winter. In the tropics the main teleconnection patterns associated with El Niño–Southern Oscillation and with the Indian Ocean Dipole are also in good agreement with observations.
Key Points
New CMCC climate model built coupling atmosphere and land components of NCAR model with NEMO ocean model
Realistic representation of mean climate and main patterns of variability, mostly for the Northern Hemisphere winter
Improvements in some aspects of the SST pattern with respect to a previous version of CMCC model
This article introduces the second generation CMCC Earth System Model (CMCC‐ESM2) that extends a number of marine and terrestrial biogeochemical processes with respect to its CMIP5 predecessor. In ...particular, land biogeochemistry was extended to a wider set of carbon pools and plant functional types, along with a prognostic representation of the nitrogen cycle. The marine ecosystem representation was reshaped toward an intermediate complexity of lower trophic level interactions, including an interactive benthic compartment and a new formulation of heterotrophic bacterial population. Details are provided on the model setup and implementation for the different experiments performed as contribution to the sixth phase of the Coupled Model Intercomparison Project. CMCC‐ESM2 shows an equilibrium climate sensitivity of 3.57°C and a transient climate response of 1.97°C which are close to the CMIP5 and CMIP6 multi‐model averages. The evaluation of the coupled climate‐carbon response in the historical period against available observational datasets show a consistent representation of both physical and biogeochemical quantities. However, the land carbon sink is found to be weaker than the current global carbon estimates and the simulated marine primary production is slightly below the satellite‐based average over recent decades. Future projections coherently show a prominent global warming over the northern hemisphere with intensified precipitations at high latitudes. The expected ranges of variability for oceanic pH and oxygen, as well as land carbon and nitrogen soil storage, compare favorably with those assessed from other CMIP6 models.
Plain Language Summary
Earth System Models integrate our knowledge on the underlying physical and biogeochemical mechanisms that drive or influence the global climate and the biosphere over the land and in the ocean. These models are used to provide realistic estimates of climate variability and its response to perturbations in the chemical constituents of the atmosphere and modifications of the terrestrial surface. This work describes the science at the base of the second generation Earth System Model developed at the Euro‐Mediterranean Centre on Climate Change and the major results obtained from the simulation of historical (from the pre‐industrial period until present) and different future scenarios up to 2100 in the context of the sixth Coupled Model Intercomparison Project. The model provides a solid representation of the present‐day physical climate and biosphere dynamics in comparison to available observations and data reconstruction of the recent past. The projected global warming signal and carbon accumulation within terrestrial and oceanic systems under future climate scenarios are comparable to the findings of other models involved in the sixth intercomparison project.
Key Points
This work introduces the second generation CMCC Earth System Model (CMCC‐ESM2) and its configuration for CMIP6
Estimated climate sensitivity and carbon‐climate feedbacks are similar to average of CMIP5 and locate in the lower end of CMIP6
Both climate and biogeochemical dynamics are assessed through the comparison with observations and previous literature findings
The double–intertropical convergence zone (DI) systematic error, affecting state-of-the-art coupled general circulation models (CGCMs), is examined in the multimodel Intergovernmental Panel on ...Climate Change (IPCC) Fourth Assessment Report (AR4) ensemble of simulations of the twentieth-century climate. The aim of this study is to quantify the DI error on precipitation in the tropical Pacific, with a specific focus on the relationship between the DI error and the representation of large-scale vertical circulation regimes in climate models. The DI rainfall signal is analyzed using a regime-sorting approach for the vertical circulation regimes. Through the use of this compositing technique, precipitation events are regime sorted based on the large-scale vertical motions, as represented by the midtropospheric Lagrangian pressure tendencyω
500dynamical proxy. This methodology allows partition of the precipitation signal into deep and shallow convective components. Following the regime-sorting diagnosis, the total DI bias is split into an error affecting the magnitude of precipitation associated with individual convective events and an error affecting the frequency of occurrence of single convective regimes. It is shown that, despite the existing large intramodel differences, CGCMs can be ultimately grouped into a few homogenous clusters, each featuring a well-defined rainfall–vertical circulation relationship in the DI region. Three major behavioral clusters are identified within the AR4 models ensemble: two unimodal distributions, featuring maximum precipitation under subsidence and deep convection regimes, respectively, and one bimodal distribution, displaying both components. Extending this analysis to both coupled and uncoupled (atmosphere only) AR4 simulations reveals that the DI bias in CGCMs is mainly due to the overly frequent occurrence of deep convection regimes, whereas the error on rainfall magnitude associated with individual convective events is overall consistent with errors already present in the corresponding atmosphere stand-alone simulations. A critical parameter controlling the strength of the DI systematic error is identified in the model-dependent sea surface temperature (SST) threshold leading to the onset of deep convection (THR), combined with the average SST in the southeastern Pacific. The models featuring a THR that is systematically colder (warmer) than their mean surface temperature are more (less) prone to exhibit a spurious southern intertropical convergence zone.
Celotno besedilo
Dostopno za:
BFBNIB, DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
We used molecular dynamics simulations to examine the surface adsorption of a model antiagglomerant (AA) molecule binding to an sII methane–propane hydrate in environments of different salinities. ...From our simulation data, we identified the preferred binding sites on the hydrate surface and characterized the equilibrium binding configurations. In addition, for a subset of these binding configurations, we calculated the standard binding free energy in different concentrations of brine using potential of mean force free-energy calculations. We demonstrate that in higher salinity environments, the surface adsorption of the AAs is enhanced through two distinct mechanisms. First, the salt decreases the solubility of the AA in the solution, which increases the thermodynamic driving force for surface adsorption. Second, the salt ions create a negatively charged interfacial layer close to the hydrate surface that effectively solvates the cationic head of the AA molecule. Quantitatively, we found that the presence of 3.5 and 10 wt % NaCl decreases the standard binding free energy of the long hydrocarbon tail binding configuration by 0.8 and 1.4 kcal/mol, decreases the standard binding free energy of the cationic head binding by 1.5 and 3.3 kcal/mol, and decreases the standard binding free energy of simultaneous head and tail binding by 1.9 and 4.3 kcal/mol, respectively.
The thermal and electrical performance of the innovative solar thermionic-thermoelectric generator (ST2G) has been carefully analyzed by using a high-flux solar simulator. Specific technological ...solutions have been integrated with respect to the first prototype for the operational testing at the moderate temperature range of 700–1000 K. The influence of spacers with different thickness has been studied to quantify the reduction of output current due to space-charge effect, whereas a BaF2-based coating has been deposited on the anode to make its work function (~2.1 eV) approach the cathode one, on which a hydrogen-terminated nitrogen doped nano-diamond film acts as emitter (work function of ~2.0 eV). The engineered ceramic absorber has demonstrated to be a reliable selective solar absorber with a high solar-to-thermal efficiency of 84% for solar concentration ratio of 200 suns, extrapolated to 83% at 500 suns. As expected, the thermionic energy converter still provides a small converted power. However, the minimum inter-electrode spacing used (50 μm) and the engineered anode allow to better figure out the present limitations in the electrical power generation and how to surpass them in the near future.
•The combined solar thermionic-thermoelectric technology was improved and tested.•Engineered ceramic absorbers has a solar-to-thermal efficiency of 84% at 200 suns.•Thermionic conversion stages need to be still improved to result competitive.•Inter-electrode spacing <50 μm and work function engineering are necessary.•Thermoelectric stage allows obtaining thermal-to-electric conversion of 4% at 700 K.
Thermal and concentrated solar solid-state converters are devices with no moving parts, corresponding to long lifetimes, limited necessity of maintenance, and scalability. Among the solid-state ...converters, the thermionic-based devices are attracting an increasing interest in the specific growing sector of energy conversion performed at high-temperature. During the last 10 years, hybrid thermionic-based concepts, conceived to cover operating temperatures up to 2000 °C, have been intensively developed. In this review, the thermionic-thermoelectric, photon-enhanced thermionic emission, thermionic-photovoltaic energy converters are extensively discussed. The design and development processes as well as the tailoring of the properties of nanostructured materials performed by the authors are comprehensively described and compared with the advances achieved by the international scientific community.
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•Experimental investigation and CFD simulation of a copper plate heat spreader.•The heat spreader cools down a novel solid-state heat-to-power converter.•A mixture of water/ethylene ...or cryogenic liquid nitrogen (LN) is used as coolant.•A parametric analysis is conducted of various operating conditions of the system.•The cooling system can dissipate heat fluxes up to 600 W·cm−2 with LN as coolant.
Hybrid thermionic-photovoltaic (TIPV) converters are efficient and clean solutions for the direct conversion of thermal energy to electricity, taking advantage of both the photovoltaic and thermionic phenomena. An important hurdle for their efficient operation is the overheating of the PV cell integrated within the TIPV anode, due to partial conversion of the emitted electron and photon fluxes to thermal heat. This obstacle needs to be overcome with an efficient, yet practical, cooler. In this work, a copper plate heat spreader is experimentally tested for TIPV cathode temperatures up to 1450 °C, whilst its performance is also assessed using a validated CFD model for temperatures up to ~2000 °C. A multi-parametric analysis is conducted testing two coolants: i) a water/ethylene glycol mixture at various temperatures (−5–40 °C) and mass flow rates (0.05–0.4 kg·s−1), and, ii) cryogenic liquid nitrogen at a temperature of −196 °C and mass flow rate of 0.074 kg·s−1. Numerical results reveal that with water/ethylene mixture the PV can withstand heat fluxes up to 360 W·cm−2, without its temperature exceeding 100 °C. For higher thermal fluxes (360–600 W·cm−2), cryogenic liquid nitrogen is found to prevent the PV overheating and, therefore, is an attractive coolant; however, it poses safety concerns due to its possible boiling. Finally, two additional cooling system designs are proposed, a heat sink with straight fins and another with copper pipes, which offer higher heat transfer areas, but are more difficult to manufacture, than the copper plate heat spreader.
Disulfide cross-linking is one of the fundamental covalent bonds that exist prevalently in many biological molecules that is involved in versatile functional activities such as antibody stability, ...viral assembly, and protein folding. Additionally, it is a crucial factor in various industrial applications. Therefore, a fundamental understanding of its reaction mechanism would help gain insight into its different functional activities. Computational simulation of the disulfide cross-linking reaction with hydrogen peroxide (H2O2) was performed at the integrated quantum mechanical/molecular mechanical (QM/MM) level of theory in a water box under periodic boundary conditions. A benchmarking study for the barrier height of the disulfide formation step was performed on a model system between methanethiol and methane sulfenic acid to determine, for the QM system, the best-fit density functional theory (DFT) functional/basis set combination that produces comparable results to a higher-level theory of the coupled-cluster method. Computational results show that the disulfide cross-linking reaction with H2O2 reagent can proceed through a one-step or a two-step pathway for the high pK a cysteines or two different pathways for the low pK a cysteines to ultimately produce the sulfenic acid/sulfenate intermediate complex. Subsequently, those intermediates react with another neutral/anionic cysteine residue to form the cysteine product. In addition, the solvent-assisted proton-exchange/proton-transfer effects were examined on the energetic barriers for the different transition states, and the molecular contributions of the chemically involved water molecules were studied in detail.
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