Construction of a BC3-based TM single-atom catalyst for efficient reduction of CO2 to CH4: a computational study.

The electrocatalytic conversion of CO2 into fuels or chemicals presents an effective approach to mitigate greenhouse gas emissions and address the traditional fuel crisis. Based on density functional theory, we systematically investigate a series of transition metal atoms bound to a BC3 monolayer as novel single-atom catalysts (SACs) for the CO2 reduction reaction (CO2RR). Our results demonstrate that most of the constructed SACs exhibit superior selectivity for the CO2RR over the hydrogen evolution reaction, with CH4 as the dominant product. Notably, the Pt@BC3 monolayer emerges as the best CO2RR catalyst with a low limiting potential of -0.36 V, surpassing many previously reported catalysts. Additionally, we explore the correlations between the SAC's catalytic activity and both ΔG*OCHO and the structural descriptor φ, revealing volcano relationships. A catalyst with better performance is constructed with the aid of the volcano diagram. These findings are beneficial for understanding the CO2RR mechanism and designing efficient catalysts.

Testosterone administration modulates inequality aversion in healthy males: evidence from computational modeling.

Fairness concerns play a prominent role in promoting cooperation in human societies. Social preferences involving fairness concern have been associated with individual testosterone levels. However, the causal effects of testosterone administration on fairness-related decision making remain to be elucidated. Here, we used a randomized, double-blind, between-participant design and administered testosterone or placebo gel to 120 healthy young men. Three hours after administration, participants performed a modified Dictator Game from behavioral economics, in which they were asked to choose one of two monetary allocations between themselves and anonymous partners. Participants were either in a position of advantageous inequality (i.e., endowed with more than others) or disadvantageous inequality (i.e., endowed with less than others). Computational modeling showed that inequality-related preferences explained behavior better than competing models. Importantly, compared with the placebo group, the testosterone group showed significantly reduced aversion to advantageous inequality but enhanced aversion to disadvantageous inequality. These findings suggest that testosterone facilitates decisions that prioritize selfish economic motives over fairness concerns, which in turn may boost status-enhancing behaviors.

Exogeneous testosterone increases sexual impulsivity in heterosexual men.

Testosterone has been hypothesized to promote sexual motivation and behavior. However, experimental evidence in healthy humans is sparse and rarely establishes causality. The present study investigated how testosterone affects delay of gratification for sexual rewards. We administered a single dose of testosterone to healthy young males in a double-blind, placebo-controlled, between-participant design (N = 140). Participants underwent a sexual delay discounting task, in which they made a choice between a variable larger-later option (i.e., waiting longer to view a sexual picture for a longer duration) and a smaller-sooner option (i.e., waiting for a fixed shorter period of time to view the same picture for a shorter duration). We found that testosterone administration increased preference for the smaller-sooner option and induced steeper discounting for the delayed option. These findings provide direct experimental evidence that rapid testosterone elevations increase impulsivity for sexual rewards and represent an important step towards a better understanding of the neuroendocrine basis of sexual motivation in humans.

Estratetraenol increases preference for large sexual reward but not impulsivity among heterosexual males.

There is increasing evidence suggesting that estratetraenol, a human chemosignal deemed a putative sex pheromone, affects social cognition and sexual behavior. The present study investigates the effects of estratetraenol on preference for sexual rewards in heterosexual males. Seventy-six male participants received either estratetraenol or a control carrier in a double-blind, placebo-controlled, within-participant design. Participants underwent a sexual delay discounting task, in which they were asked to make a choice between a variable larger-later option (i.e., waiting longer to view a sexual picture for a longer duration) and a smaller-sooner option (i.e., waiting for a fixed shorter period of time to view the same picture for a shorter duration). Results revealed that, compared to the control solution, estratetraenol selectively increases preference for larger-later sexual rewards. Computational modelling showed that estratetraenol has no observable influence on impulsivity, as indexed by the discounting rate. These findings suggest that estratetraenol could increase men's sexual motivation, possibly facilitating behavioral processes associated with the pursuit of a sexual partner.

In silico design of single transition metal atom anchored defective boron carbide monolayers as high-performance electrocatalysts for the nitrogen reduction reaction.

Development of low-cost and high-efficiency single atom catalysts (SACs) is essential for catalyzing nitrogen reduction reactions (NRR) under ambient conditions. Current SACs suffer from low selectivity and poor activity, making it hard for them to meet the requirements of industrial applications. Here, we present a graphene-like BC3 monolayer as a substrate for single metal atoms. The catalytic performance of 4d and 5d metal atoms anchored in a vacancy containing BC3 monolayer for NRR is systematically investigated by first-principles calculations. We find that Re@VB is outstanding among all candidates, exhibiting high catalytic activity and selectivity, with a low limiting potential of -0.28 V. A new descriptor involving the active site and its environment is proposed, which has a volcano relationship with several factors in the catalytic process, establishing a link between the intrinsic properties of the active site and the catalytic performance. This study opens a new route to designing efficient catalysts with BC3 as a substrate.

Testosterone reduces generosity through cortical and subcortical mechanisms.

Recent evidence has linked testosterone, a major sex hormone, to selfishness in economic decision-making. Here, we aimed to investigate the neural mechanisms through which testosterone reduces generosity by combining functional MRI with pharmacological manipulation among healthy young males in a double-blind, placebo-controlled, between-subject design. After testosterone or placebo gel administration, participants performed a social discounting task in which they chose between selfish options (benefiting only the participant) and generous options (providing also some benefit to another person at a particular social distance). At the behavioral level, testosterone reduced generosity compared to the placebo. At the neural level (n = 60), the temporoparietal junction (TPJ) encoded the other-regarding value of the generous option during generous choices, and this effect was attenuated by testosterone, suggesting that testosterone reduced the consideration of other's welfare as underpinned by TPJ activity. Moreover, TPJ activity more strongly reflected individual differences in generosity in the placebo than the testosterone group. Furthermore, testosterone weakened the relation between the other-regarding value of generous decisions and connectivity between the TPJ and a region extending from the insula into the striatum. Together, these findings suggest that a network encompassing both cortical and subcortical components underpins the effects of testosterone on social preferences.

Exogenous testosterone decreases men's sensitivity to vocal cues of male dominance.

Assessing dominance is important for effective social interactions, and prior research suggests that testosterone is associated with men's dominance perceptions. The present study tested for a causal effect of exogenous testosterone on men's sensitivity to vocal cues of other men's dominance, an important parameter in male-male competition across species. One hundred and thirty-nine Chinese men received a single dose (150 mg) of testosterone or placebo gel in a double-blind, placebo-controlled, between-participant design. Participants reported their own dominance and judged other men's dominance from voices. Men's dominance sensitivity was significantly weaker in the testosterone group compared to those in the placebo group. Moreover, men's dominance sensitivity was negatively associated with their self-reported dominance in our Chinese sample, consistent with findings from Western populations. These results indicate that exogenous testosterone has a causal effect in decreasing men's dominance sensitivity, consistent with the Challenge Hypothesis, suggesting that the fluctuation of testosterone concentration mediates individuals' behaviors. Additionally, the present study could motivate further work on vocal assessment in the context of competition in humans and other species.

Exogenous testosterone increases the audience effect in healthy males: evidence for the social status hypothesis.

Several studies have implicated testosterone in the modulation of altruistic behaviours instrumental to advancing social status. Independent studies have also shown that people tend to behave more altruistically when being watched (i.e. audience effect). To date, little is known about whether testosterone could modulate the audience effect. In the current study, we tested the effect of testosterone on altruistic behaviour using a donation task, wherein participants were asked to either accept or reject a monetary transfer to a charity organization accompanying a personal cost either in the presence or absence of an observer. We administered testosterone gel or placebo to healthy young men (n = 140) in a double-blind, placebo-controlled, mixed design. Our results showed that participants were more likely to accept the monetary transfer to the charity when being observed compared to when they completed the task alone. More importantly, this audience effect was amplified among people receiving testosterone versus placebo. Our findings suggest that testosterone administration increases the audience effect and further buttress the social status hypothesis, according to which testosterone promotes status-seeking behaviour in a context-dependent manner.