Search results for " Modeling"

Integration of physically based distributed hydrological model with model of carbon and nitrogen cycle: Luquillo Critical Zone Observatory, Puerto Ri…

2015

The dynamics of carbon and nitrogen cycles, increasingly influenced by human activities, are the key to the functioning of ecosystems. These cycles are influenced by the composition of the substrate, availability of nitrogen, the population of microorganisms, and by environmental factors. Therefore, land management and use, climate change, and nitrogen deposition patterns influence the dynamics of these macronutrients at the landscape scale. In this work a physically based distributed hydrological model, the tRIBS model, is coupled with a process-based multi-compartment model of the biogeochemical cycle to simulate the dynamics of carbon and nitrogen (CN) in the Mameyes River basin, Puerto …

Organisational and individual resources as antecedents of older nursing professionals’ organisational commitment : Investigating the mediating effect…

2021

Aim and objectives To investigate how organisational and individual resources are linked to older (50+) nursing professionals’ organisational commitment, and to examine the possible mediating role of the active use of selection, optimisation and compensation (SOC) strategies. Background Many healthcare organisations need to find ways to retain their older nursing professionals due to nursing shortage. Design To test a set of hypotheses, cross-sectional survey data (n = 396) were used. Data were analysed using correlation analysis and partial least-squares structural equation modelling. STROBE Statement for cross-sectional studies has been followed in this study. Results The results exhibite…

How Followers Differing in Career Motivation Gain Career Profits from Transformational Leaders: A Longitudinal Moderated Mediation Model

2017

Although, transformational leadership is among the most thoroughly examined leadership theories, knowledge regarding its association with followers' career outcomes is still limited. Furthermore, the underlying mechanisms explaining how transformational leaders affect their employees' career success are yet not well-understood. Based on theoretical assumptions about the processes involved in setting the goal of “making a career,” we propose an indirect effect of transformational leadership on subjective and objective career success via development opportunities that depends on the level of career motivation of employees. We conducted a longitudinal study with two measurement occasions separ…

Evaluation des simulations spatiales

2006

The general topic is the evaluation of prospective scenarios for urban planning, especially for the management of urban built up areas. Several models of land-use and land-cover change (LUCC), based on different assumptions, allow producing realistic simulations of urban growth. Three ways can be distinguished for measuring the quality of modelings: 1. The choice of a model and its calibration; 2. The validation (showing if results are realistic); 3. The evaluation (showing if results respect defined planning goals). Measurement methods must be associated to these three steps.

Spatial Memory Drives Foraging Strategies of Wolves, but in Highly Individual Ways

2022

The ability of wild animals to navigate and survive in complex and dynamic environments depends on their ability to store relevant information and place it in a spatial context. Despite the centrality of spatial memory, and given our increasing ability to observe animal movements in the wild, it is perhaps surprising how difficult it is to demonstrate spatial memory empirically. We present a cognitive analysis of movements of several wolves (Canis lupus) in Finland during a summer period of intensive hunting and den-centered pup-rearing. We tracked several wolves in the field by visiting nearly all GPS locations outside the den, allowing us to identify the species, location and timing of ne…

La chemiometria ed il molecular modeling in ausilio alla scoperta ed all’ottimizzazione di lead compounds

2008

Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies

2020

Lower alkanes are feedstocks readily available but relatively inert. The con- version of low cost alkanes to industrially relevant alkenes is usually carried out on metal-based heterogeneous catalysts. Considering both the cost and the potential harmfulness of the metal involved in the dehydrogenation cat- alysts (typically, platinum or chromium), the study of metal-free processes represents an important challenge for the industrial chemistry in order to address more sustainable protocols and different routes either to activate or transform alkanes. Framed in this context, it was investigated, using a den- sity functional theory approach, the potential dehydrogenation activity of de- fectiv…

On the relations between aromaticity and substituent effect

2019

Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used terms in organic chemistry and related fields. The quantitative description of aromaticity is based on energetic, geometric (e.g., HOMA), magnetic (e.g., NICS) and reactivity criteria, as well as the properties of the electronic structure (e.g., FLU). The substituent effect can be described using either traditional Hammett-type substituent constants or characteristics based on quantum-chemistry. For this purpose, the energies of properly designed homodesmotic reactions and electron density distribution are used. In the first case, a descriptor named SESE (energy stabilizing the substituent effect) is o…

Extreme thermophilic (70°C), VFA-fed UASB reactor: performance, temperature response, load potential and comparison with 35 and 55°C UASB reactors

1999

Abstract The paper evaluates the reactor performance, load potential and temperature response of a 70°C, VFAs-fed UASB reactor, seeded with mesophilic granular sludge. Batch experiments were, in addition, conducted to assess the effect of temperature on the achievable residual VFAs in the 70°C effluent. The performance of similarly-fed and seeded 35 and 55°C UASB reactors was also tested. At a short HRT (2–3 h) and a moderate VLR of 12–20 g COD l−1 d−1, the 70°C UASB achieved 66–74% VFAs removal (acetate and butyrate 84–90%, propionate

Amino acid sequence and homology modeling of obtustatin, a novel non-RGD-containing short disintegrin isolated from the venom of Vipera lebetina obtu…

2003

Disintegrins represent a group of cysteine-rich peptides occurring in Crotalidae and Viperidae snake venoms, and are potent antagonists of several integrin receptors. A novel disintegrin, obtustatin, was isolated from the venom of the Vipera lebetina obtusa viper, and represents the first potent and selective inhibitor of the binding of integrin alpha(1)beta(1) to collagen IV. The primary structure of obtustatin contains 41 amino acids and is the shortest disintegrin described to date. Obtustatin shares the pattern of cysteines of other short disintegrins. However, in contrast to known short disintegrins, the integrin-binding loop of obtustatin is two residues shorter and does not express t…