Study of the magnetism of C-doped MgO based on first-principles calculations and the Ising model.

The electronic and magnetic properties of d0 dilute magnetic semiconductors formed by rock-salt structured magnesium oxide (MgO) doped with C are systematically studied based on first-principles calculations and the Ising model. It is shown that the electronic holes of p states are generated due to the impurity carbon replacing oxygen in MgO, and the magnetic moment of 2µB is introduced by each C impurity. The polarization energy and formation energy of C-doped MgO are calculated, and the magnetization energy of C-doped MgO is also calculated which is used to obtain the exchange constant between C impurities. By means of the Ising model, we simulated the magnetization and the susceptibility of the doped system with increasing temperature and obtained the Curie temperature of C-doped MgO.

Effects of Broad Bean Diet on the Growth Performance, Muscle Characteristics, Antioxidant Capacity, and Intestinal Health of Nile Tilapia (Oreochromis niloticus).

Four crisping diets were designed to conduct a feeding experiment to investigate the use of broad bean in the formulated feed of Nile tilapia and optimize its use. The growth performance, muscle characteristics, antioxidant capacity, and intestinal health of Nile tilapia with an initial body weight of 617.32 ± 1.64 g were evaluated after being fed with different diets for 90 days. The results showed no adverse effect on the growth performance of Nile tilapia fed with broad bean diets. Contrastingly, some improvements were found in WGR and SGR, but a lower FCR was obtained. The supplementation of broad beans weakened the antioxidant capacity of fish but did not influence liver health and the immune system. Increasing the amount of broad bean addition can increase muscle quality values, and an embrittling functional package being added to the diet can also improve muscle hardness, adhesiveness, and chewiness of Nile tilapia muscle. In addition, the crisping functional package can be applied to tilapia crisping formulated feed, which helps to improve the integrity of the intestinal tissue structure and optimize the intestinal microbiota of Nile tilapia. The final achievement of this study is to provide a theoretical reference for optimizing the breeding technology of crispy Nile tilapia and developing a specialized crisping diet for the species.

Metabolomic identification of biochemical changes induced by fluoxetine in an insulinoma cell line (MIN6).

Background and purpose: The use of fluoxetine raises the risk of pancreatic beta-cell dysfunction. However, the specific mechanism behind its mechanism of action in beta cells is unknown. This study investigated the cellular response of MIN6 cells to fluoxetine using untargeted cell-based metabolomics. Experimental approach: Metabolic profiling of MIN6 cells was performed using liquid chromatography-high resolution mass spectrometry (LC-HRMS) analysis on samples prepared under optimized conditions, followed by principal component analysis, partial least squares-discriminant analysis, and pair-wise orthogonal projections to latent structures discriminant analyses. Findings/Results: Sixty-six metabolites that had been differentially expressed between the control and fluoxetine-treated groups demonstrated that the citric acid cycle is mainly perturbed by fluoxetine treatment. Conclusion and implications: The current study provides insights into the molecular mechanisms of fluoxetine effects in MIN6 cells.

Exploring the mechanisms of clozapine-induced blood-brain barrier dysfunction using untargeted metabolomics and cellular metabolism analysis.

Brain microvascular endothelial cells (BMVECs) from the blood- brain barrier form a highly selective membrane that protects the brain from circulating blood and maintains a stable microenvironment for the central nervous system. BMVEC dysfunction has been implicated in a variety of neurological and psychiatric disorders. Clozapine, a widely used antipsychotics, has been demonstrated to alter the permeability of BMVECs, but the underlying mechanisms of this effect are not fully understood. In this study, we investigated the effects of clozapine in BMVECs using untargeted metabolomics analysis. Our results illustrated that treatment with clozapine led to significant changes in the metabolic profile of BMVECs, including alterations in amino acid and energy metabolism. These findings suggest that clozapine affects BMVEC permeability through its effects on cellular metabolism. Our study could inform the development of more targeted and effective treatments for understanding the relationships among clozapine, cellular metabolism, and BMVECs in more detail.

Synthesis of Chiral 1,1,1-Trifluoro-α,α-disubstituted 2,4-Diketones via Palladium-Catalyzed Asymmetric Allylation.

Trifluoromethyl ketones are important enzyme inhibitors and versatile synthons for the preparation of trifluoromethylated heterocycles and complex molecules. An efficient methodology for the synthesis of chiral 1,1,1-trifluoro-α,α-disubstituted 2,4-diketones via palladium-catalyzed allylation with allyl methyl carbonates under mild conditions has been developed. This method surmounts the major obstacle of detrifluoroacetylation, and a chiral trifluoromethyl ketone library could be rapidly built up from simple substrates in good yields and enantioselectivities, thereby offering a new choice for scientists in pharmaceutical and material industries.

Parental Discipline Techniques and Changes in Observed Temper Tantrum Severity in Toddlers.

Although temper tantrums are considered a normal part of emotional development in toddlerhood, for some they foreshadow more serious behavioral and emotional problems. Parental discipline techniques may play a role in explaining why this behavior worsens for some children whereas for others it fades away. With this three-wave longitudinal study, we examined bidirectional associations between specific discipline techniques - ignoring, power assertion, and consistency - and intra-individual changes in the severity of tantrum behavior. We observed tantrum behavior in a standardized clean-up task, overcoming the limitation of most earlier work that relied on parent-report for associated changes in parenting and child behavior over time. For 94 children (53 boys; Mage = 30 months, range 20-43 months), mothers filled out the Parenting Dimensions Inventory, and temper tantrum severity (i.e., duration and aggressiveness) was coded three times across one year. Random Intercept Cross-Lagged Panel Models suggested parent-effects rather than child-effects: more maternal power assertion and less consistency predicted increases in tantrum severity over time (ignoring did not), but temper tantrum severity did not predict changes in parenting over time. Results indicate that reducing power assertion and increasing consistency may be especially helpful in reducing temper tantrums in children. Findings add to previous findings indicating that mothers' parenting may be driven less by objective child behavior than by her own perceptions of her child's behavior.