Search

This paper utilizes a life cycle assessment (LCA) to evaluate three heating systems' energy resources and environmental impacts. The first system uses an electric heat pump that exclusively relies on geothermal energy. The second system operates on a gas boiler system that utilizes non-renewable electricity and natural gas. Lastly, the third system incorporates an absorption heat pump utilizing geothermal energy and natural gas. In the first step, cradle-to-gate assessments were prepared for the renewable, conventional, and mixed systems. The second step involved comparing the system scenarios based on their loads and energy resources. Primary energy, material resources, emissions, and impact categories were normalized and weighted using the CML, ReCiPe, and EF 3.0 methods. Finally, models for environmental reliability and complex decision support were developed. The novelty of this research lies in analyzing the ecological burden and energy usage of a mixed energy system that incorporates both renewable and non-renewable energy sources. The results show that the gas boiler system has a higher load, primarily due to the depletion of abiotic fossil fuels. However, the acidification is higher when an electric heat pump is used. The absorption heat pump system falls between the renewable and conventional systems in terms of both fossil depletion and acidification. [ABSTRACT FROM AUTHOR]

Flow-shop scheduling problems are classic examples of multi-resource and multi-operation scheduling problems where the objective is to minimize the makespan. Because of the high complexity and intractability of the problem, apart from some exceptional cases, there are no explicit algorithms for finding the optimal permutation in multi-machine environments. Therefore, different heuristic approaches, including evolutionary and memetic algorithms, are used to obtain the solution—or at least, a close enough approximation of the optimum. This paper proposes a novel approach: a novel combination of two rather efficient such heuristics, the discrete bacterial memetic evolutionary algorithm (DBMEA) proposed earlier by our group, and a conveniently modified heuristics, the Monte Carlo tree method. By their nested combination a new algorithm was obtained: the hybrid discrete bacterial memetic evolutionary algorithm (HDBMEA), which was extensively tested on the Taillard benchmark data set. Our results have been compared against all important other approaches published in the literature, and we found that this novel compound method produces good results overall and, in some cases, even better approximations of the optimum than any of the so far proposed solutions. [ABSTRACT FROM AUTHOR]

The vast majority of research and development activities begins with a detailed literature search to explore the current state-of-the-art. However, this search becomes increasingly difficult as we go into the information revolution of 21st century. The aim of the work is to establish a functional and practical mathematical model of catalyst characterization and exact comparison of catalysts. This work outlines the operation of the MIskolc RAnking 21 (MIRA21) model through the reaction of nitrobenzene catalytic hydrogenation to aniline. A total of 154 catalysts from 45 research articles were selected, studied, characterized, ranked, and classified based on four classes of descriptors: catalyst performance, reaction conditions, catalyst conditions, and sustainability parameters. MIRA21 is able to increase the comparability of different types of catalysts and support catalyst development. According to the model, 8% of catalysts received D1 (top 10%) classification. This ranking model is able to show the most effective catalyst systems that are suitable for the production of aniline. [ABSTRACT FROM AUTHOR]

This paper deals with the flow shop scheduling problem. To find the optimal solution is an NP-hard problem. The paper reviews some algorithms from the literature and applies a benchmark dataset to evaluate their efficiency. In this research work, the discrete bacterial memetic evolutionary algorithm (DBMEA) as a global searcher was investigated. The proposed algorithm improves the local search by applying the simulated annealing algorithm (SA). This paper presents the experimental results of solving the no-idle flow shop scheduling problem. To compare the proposed algorithm with other researchers' work, a benchmark problem set was used. The calculated makespan times were compared against the best-known solutions in the literature. The proposed hybrid algorithm has provided better results than methods using genetic algorithm variants, thus it is a major improvement for the memetic algorithm family solving production scheduling problems. [ABSTRACT FROM AUTHOR]

In this study, we present the application of a novel capillary electrophoresis (CE) method in combination with label-free quantitation and support vector machine-based feature selection (support vector machine-estimated recursive feature elimination or SVM-RFE) to identify potential glycan alterations in Parkinson's disease. Specific focus was placed on the use of neutral coated capillaries, by a dynamic capillary coating strategy, to ensure stable and repeatable separations without the need of non-mass spectrometry (MS) friendly additives within the separation electrolyte. The developed online dynamic coating strategy was applied to identify serum N-glycosylation by CE-MS/MS in combination with exoglycosidase sequencing. The annotated structures were quantified in 15 controls and 15 Parkinson's disease patients by label-free quantitation. Lower sialylation and increased fucosylation were found in Parkinson's disease patients on tri-antennary glycans with 2 and 3 terminal sialic acids. The set of potential glycan alterations was narrowed by a recursive feature elimination algorithm resulting in the efficient classification of male patients. [ABSTRACT FROM AUTHOR]

The most commonly applied industrial synthesis of 4,4′-methylene diphenyl diamine (4,4′-MDA), an important polyurethane intermediate, is the reaction of aniline and formaldehyde. Molecular understanding of the 4,4′-MDA formation can provide strategy to prevent from side reactions. In this work, a molecular mechanism consisted of eight consecutive, elementary reaction steps from anilines and formaldehyde to the formation of 4,4′-MDA in acidic media is proposed using accurate G3MP2B3 composite quantum chemical method. Then G3MP2B3-SMD results in aqueous and aniline solutions were compared to the gas phase mechanism. Based on the gas phase calculations standard enthalpy of formation, entropy and heat capacity values were evaluated using G3MP2B3 results for intermediates The proposed mechanism was critically evaluated and important side reactions are considered: the competition of formation of protonated p-aminobenzylaniline (PABAH+), protonated aminal (AMH+) and o-aminobenzylaniline (OABAH+). Competing reactions of the 4,4′-MDA formation is also thermodynamically analyzed such as the formation of 2,4-MDAH+, 3,4-MDAH+. AMH+ can be formed through loose transition state, but it becomes kinetic dead-end, while formation of significant amount of 2,4-MDA is plausible through low-lying transition state. The acid strength of the key intermediates such as N-methylenebenzeneanilium, PABAH+, 4-methylidenecyclohexa-2,5-diene-1-iminium, and AMH+ was estimated by relative pKa calculation. [ABSTRACT FROM AUTHOR]