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An Investigation into the Synthesis and Characterization of Novel Tetrazole Derivatives for Application as Mild Steel Corrosion Inhibitors in a Solution of Hydrochloric Acid.
ACS Omega
January 2025
Department of Applied Chemistry, Faculty of Applied Sciences Ait Melloul, Ibn Zohr University, Agadir 60000, Morocco.
The objective of the study was to synthesize tetrazole molecules featuring nitro groups positioned at the para and meta locations. We aimed to assess their effectiveness in inhibiting corrosion of mild steel in a 1 M HCl solution at 298 K. Tetrazoles with 2,5-disubstitution were created using [3 + 2] cycloaddition and N-alkylation techniques, with a particular emphasis on synthesizing molecules that contain nitro groups.
View Article and Find Full Text PDFStructure searching and phase relationships in MnN up to 50 GPa: a DFT study.
Phys Chem Chem Phys
November 2024
Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Science, Novosibirsk 630090, Russian Federation.
Based on density functional theory and evolutionary algorithms the thermodynamically stable structures of MnN and their stability - fields were revealed in the pressure range of 0-50 GPa. The MnN-4̄3 polymorph (zinc blende-type) was shown to be the ambient pressure phase, while experimentally known MnN-4/ (distorted NaCl-type) is a high-temperature phase quenchable to the ambient condition. At 5.
View Article and Find Full Text PDFFirst-Principles Insights into Highly Sensitive and Reusable MoS Monolayers for Heavy Metal Detection.
Micromachines (Basel)
July 2024
Centre for Optical and Electromagnetic Research, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou 510006, China.
Article Synopsis
- - This study investigates the use of MoS monolayers as sensors for heavy metals like As, Cd, Hg, and Pb, using advanced simulation techniques (DFT and NEGF) to analyze their electronic properties upon adsorption.
- - The findings show that As and Pb affect the MoS structure and electronic characteristics the most, leading to significant sensitivity levels for detection: 126,452.28% for As, 1862.67% for Cd, 427.71% for Hg, and 83,438.90% for Pb.
- - The sensors are not only highly sensitive and selective—displaying unique responses for As and Pb—but also can recover quickly from adsorption, enhancing their reusability for
A New Human-Based Metaheuristic Algorithm for Solving Optimization Problems Based on Technical and Vocational Education and Training.
Biomimetics (Basel)
October 2023
Department of Technics, Faculty of Education, University of Hradec Kralove, CZ50003 Hradec Kralove, Czech Republic.
In this paper, a new human-based metaheuristic algorithm called Technical and Vocational Education and Training-Based Optimizer (TVETBO) is introduced to solve optimization problems. The fundamental inspiration for TVETBO is taken from the process of teaching work-related skills to applicants in technical and vocational education and training schools. The theory of TVETBO is expressed and mathematically modeled in three phases: (i) theory education, (ii) practical education, and (iii) individual skills development.
View Article and Find Full Text PDFThe Influence of Authoritarian-Benevolent Leadership on Subordinates' Work Engagement: A Social Information Processing Perspective.
Psychol Res Behav Manag
September 2023
Dalian Base, China Southern Technic Branch, Dalian, People's Republic of China.
Purpose: The dynamic and complex external environment calls for leaders to be both benevolent and authoritarian to cope with the mutually exclusive demands in the management process. But few research paid attention to the dark side of leaders' inconsistent behaviors on employees' work outcomes. Based on social information processing theory, this study investigated the impact of authoritarian-benevolent leadership on subordinates' work engagement and explored the mediating role of leader-member exchange ambivalence and the moderating role of trait mindfulness.
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