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1.
Angew Chem Int Ed Engl ; : e202408622, 2024 Jul 10.
Article in English | MEDLINE | ID: mdl-38982982

ABSTRACT

Ethanolamine hydrates containing from one to seven water molecules were identified via rotational spectroscopy with the aid of accurate quantum chemical methods considering anharmonic vibrational corrections. Ethanolamine undergoes significant conformational changes upon hydration to form energetically favorable hydrogen bond networks. The final structures strongly resemble the pure (H2O)3-9 complexes reported before when replacing two water molecules by ethanolamine. The 14N nuclear quadrupole coupling constants of all the ethanolamine hydrates have been determined and show a remarkable correlation with the strength of hydrogen bonds involving the amino group. After addition of the seventh water molecule, both hydrogen atoms of the amino group actively contribute to hydrogen bond formation, reinforcing the network and introducing approximately 21-27% ionicity towards the formation of protonated amine. The findings highlight the critical role of microhydration in altering the electronic environment of ethanolamine, enhancing our understanding of amine hydration dynamics.

2.
Front Psychol ; 14: 1221679, 2023.
Article in English | MEDLINE | ID: mdl-38023032

ABSTRACT

Introduction: Eating disorders (EDs) are serious psychological problems that affect not only the individual, but also their entire environment. The prevalence rates of EDs are higher among the adolescent population. A better understanding of ED risk factors is essential to design effective prevention and intervention programs that focus beyond the areas of weight and appearance. Methods: The main objective of this systematic review was to identify the risk factors of EDs and provide a comprehensive approach, analyzing the interplay between individuals, their inner circle, and the society characteristics. The Web of Science, Scopus, CENTRAL and PsycInfo databases were searched. Results: The initial search produced 8,178 references. After removing duplicates and performing the selection process by three independent reviewers, 42 articles were included in the systematic review according to the pre-specified inclusion criteria. The results suggest the relevance of society and the inner circle on the development of EDs. Discussion: The internalization of the thin ideal, promoted by the current society, and living in an unsupportive, unaffectionate, non-cohesive environment were associated with the onset of EDs symptomatology. Other associated variables with this ED indicator were poor-quality relationships and feeling judged about appearance. These aspects seem to be essential for the development of individual characteristics like self-esteem or adaptative coping during adolescence. This systematic review has shown the complex etiology of EDs and the relevance of the interplay between the different areas involved. Furthermore, this information could be relevant to improve the design of innovative and more effective prevention and intervention programs. Systematic review registration: PROSPERO, identifier CRD42022320881.

3.
Article in English | MEDLINE | ID: mdl-36674160

ABSTRACT

In recent years, smart city projects and initiatives have surged around the globe. Yet, a wide range of factors determine the success or failure of such initiatives and there is still a long road ahead in terms of effective governance and innovation management. In such a context, this study explores the specific case of PCT Cartuja (science and technology park in Seville, Spain)-analyzing several smart-mobility and smart-climate solutions from a Triple Helix Model standpoint. The authors tap into multiple information sources to describe the case and key implications of smart initiatives for both theory and management are discussed. This paper shows the current progress as well as the remaining challenges to illustrate how public-private partnerships and conflict can be effectively managed.


Subject(s)
Climate , Technology , Spain , Cities
4.
Chemistry ; 24(51): 13408-13412, 2018 Sep 12.
Article in English | MEDLINE | ID: mdl-30066382

ABSTRACT

Conformational flexibility and non-covalent interactions determine the structure and activity of molecules in biological processes. In this work, the hydrogen bonding networks of the polyol ribitol have been determined for the first time using a combination of laser ablation and broadband rotational spectroscopy. Five conformations of ribitol have been identified, two with extended carbon chains and three with bent chains. All conformations are stabilized by sequential hydrogen bonding networks of either four or five intramolecular O-H⋅⋅⋅O bonds in a clockwise or counter-clockwise arrangement. The hydrogen bonding patterns are related to the extended or bent-chain conformations of ribitol, and involve 2OH-4OH or 2OH-5OH linkages, respectively. Interestingly, all hydrogen bonds wrap round the carbon backbone of ribitol rather than being located above or below it as it happens for other polyols and cyclic sugars.

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