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1.
J Chem Phys ; 158(15)2023 Apr 21.
Article in English | MEDLINE | ID: mdl-37094006

ABSTRACT

Theoretical simulations are critical to analyze and interpret the x-ray absorption spectrum of transient open-shell species. In this work, we propose a model of the many-body core-excited states of symmetric diradicals. We apply this model to analyze the carbon K-edge transitions of o-, m-, and p-benzyne, three organic diradicals with diverse and unusual electronic structures. The predictions of our model are compared with high-level multireference computations of the K-edge spectrum of the benzynes obtained with the driven similarity renormalization group truncated to third order. Our model shows the importance of a many-body treatment of the core-excited states of the benzynes and provides a theoretical framework to understand which properties of the ground state of these diradicals can be extracted from their x-ray spectrum.

2.
J Sports Sci ; 41(24): 2201-2208, 2023 Dec.
Article in English | MEDLINE | ID: mdl-38377010

ABSTRACT

This study compared weekly training-load (TL), training-monotony (TM), and training-strain (TS) in 80 professional football players (28.1 ± 3.2 yrs, 78.0 ± 5.9 kg, and 182.0 ± 4.8 cm), considering two lengths (6 and 7 days between matches), two types of periodization strategies (placing the compensatory session in MD+1 [P1] or MD+2 [P2] post-match-day) and two players' status, starters, and non-starters. Using Global Positioning Technology, the monitored variables were: Player Load (PL), Total Distance (TD), distances at various speeds (>21 [HSR], >24 [VHSR], and > 27 [SPR] km·h-1), number of accelerations (>2 m·s-2, ACC), and decelerations (<-2 m·s-2, DEC). Kruskal-Wallis and Mann-Whitney non-parametric statistical tests were used for loading strategy differences. In both lengths and periodization strategies of the micro-cycles, non-starters trained more than starters. There were differences in the quantity (TL) and distribution (TM and TS) demand considering the micro-cycle's length and periodization strategy. In MD+1 (P1), non-starters accumulated higher TL, showing moderate to large Cohen's d magnitudes in HSR, VHSR, SPR, PL, and TD. For starters, training in MD+2 (P2) resulted in higher values (p < 0.05) of TL, TM and TS. The coaching staff needs to anticipate TL, TM, and TS by considering players' status, periodization strategy, and the number of training sessions between matches.


Subject(s)
Football , Mentoring , Humans , Acceleration
3.
Sci Data ; 6(1): 301, 2019 12 03.
Article in English | MEDLINE | ID: mdl-31796752

ABSTRACT

Functional traits can be valuable pieces of information for aquaculture research and management. Although fish traits have been the focus of an abundant research, trait datasets for these organisms are difficult to access and often unpractical to achieve meta-analyses without a time-consuming extensive review. Already available large-scale compilations include trait information for many fish species but not as detailed as required for aquaculture purpose. Here, we introduce the TOFF (i.e. Traits OF Fish), a database focusing on fish functional traits that aims at bringing together behavioral, morphological, phenological, and physiological traits always coupled to environmental measurement context into a single open-source access repository. TOFF hosts data from published field and experimental studies. Here, we release data for 228 traits for 174 species extracted from 165 publications and present a collaborative platform. We ultimately aim at providing an inclusive and accessible data resource to facilitate advances in aquaculture development.


Subject(s)
Aquaculture , Databases, Factual , Fishes/physiology , Animals
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