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Patterns of paternity: insights into mating competition and gene flow in a recovering population of humpback whales. 父权模式:对正在恢复的座头鲸种群的交配竞争和基因流动的见解。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2025-01-08 eCollection Date: 2025-01-01 DOI: 10.1098/rsos.241424
Franca Eichenberger, Emma L Carroll, Claire Garrigue, Debbie J Steel, Claire D Bonneville, Luke Rendell, Ellen C Garland

Variation in reproductive success is a fundamental prerequisite for sexual selection to act upon a trait. Assessing such variation is crucial in understanding a species' mating system and offers insights into population growth. Parentage analyses in cetaceans are rare, and the underlying forces of sexual selection acting on their mating behaviours remain poorly understood. Here, we combined 25 years of photo-identification and genetic data to assess patterns of male reproductive success and reproductive autonomy of the New Caledonian (Oceania, South Pacific) humpback whale breeding population. Paternity analysis of 177 mother-offspring pairs and 936 males revealed low variation in male reproductive success (average 1.17 offspring per father) relative to other polygynous species. The observed skew in success was higher than expected under random mating and skewed overall towards males (93%) without evidence of paternity over the study period. Finally, an updated male gametic mark-recapture abundance estimate of 2084 (95% confidence interval = 1761-2407, 1995-2019) fell between previous census estimates of the New Caledonian population and the wider Oceanian metapopulation. Our results provide critical insights into the mating competition of male humpback whales and population dynamics across Oceanian populations, two important factors affecting the slow recovery from whaling across the South Pacific region.

繁殖成功的变异是性选择作用于性状的基本前提。评估这种变异对于理解一个物种的交配系统至关重要,并为种群增长提供了洞见。对鲸类动物的亲子关系分析很少,而且对它们交配行为的性选择的潜在力量仍然知之甚少。在这里,我们结合了25年的照片识别和遗传数据来评估新喀里多尼亚(大洋洲,南太平洋)座头鲸繁殖种群的雄性繁殖成功和繁殖自主模式。对177对母后代和936对雄性的父权分析显示,与其他一夫多妻制物种相比,雄性的繁殖成功率差异较小(平均每只父亲生育1.17个后代)。在随机交配条件下,观察到的成功率偏差高于预期,并且在研究期间,在没有父权证据的情况下,总体上倾向于男性(93%)。最后,更新的雄性配子标记-再捕获丰度估计为2084(95%置信区间= 1761-2407,1995-2019),介于之前对新喀里多尼亚人口和更广泛的大洋洲元人口的普查估计之间。我们的研究结果为雄性座头鲸的交配竞争和大洋洲种群的种群动态提供了重要的见解,这是影响南太平洋地区捕鲸恢复缓慢的两个重要因素。
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引用次数: 0
Identification and field testing of sex-attractant semiochemicals produced by male deer mice, Peromyscus maniculatus. 雄鹿鼠性引诱物的鉴定及田间试验。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.241257
Elana Varner, Regine Gries, Stephen Takács, Hanna Jackson, Leah Purdey, Daniella Gofredo, Alishba Bibal, Gerhard Gries

Following previous reports that male deer mice, Peromyscus maniculatus, produce chemical signals that attract conspecific females, we analysed and field-tested sex-attractant semiochemicals (message-bearing chemicals) of male deer mice. Field traps baited with urine- and faeces-soiled bedding of male mice captured adult female, but not male, mice, indicating dissemination of sex-attractant semiochemicals from the males' excreta. Analysing excreta headspace volatiles of both males and females by gas chromatography-mass spectrometry revealed that 5-methyl-2-hexanone was male-specific, and that eight other ketones (3-methyl-2-pentanone, 2-hexanone, 4-heptanone, 2-heptanone, 6-methyl-2-heptanone, 3-octanone, 2-octanone, 2-nonanone) were 2.6-5.6 times more abundant in male, than in female, samples. In a field experiment with paired trap boxes, treatment boxes baited with the synthetic ketone lure captured 3.4 times more females (17 : 5) and 1.6 times fewer males (5 : 8) than corresponding unbaited boxes. In a follow-up paired-trap field experiment, treatment boxes baited with both the ketone lure and synthetic testosterone captured 8 times more mature females and 2.3 times more immature females, but 9 times fewer immature males, than control boxes baited only with the ketone lure, all indicating that testosterone is a synergistic sex-attractant semiochemical. As previously shown in house mice, Mus musculus, and brown rats, Rattus norvegicus, sex-attractant semiochemicals of male deer mice comprise both volatile and sex steroid components.

根据以往的报道,雄性鹿鼠(Peromyscus maniculatus)产生吸引同种雌性的化学信号,我们分析并实地测试了雄性鹿鼠的性引诱物(信息传递化学物质)。用沾有尿液和粪便的雄性老鼠的被褥作为诱饵的野外陷阱捕获了成年雌性老鼠,而不是雄性老鼠,这表明从雄性老鼠的排泄物中传播了性引诱物的半化学物质。通过气相色谱-质谱联用分析雄性和雌性粪便顶空挥发物,发现5-甲基-2-己酮是雄性特有的,另外8种酮类(3-甲基-2-戊酮、2-己酮、4-庚酮、2-庚酮、6-甲基-2-庚酮、3-辛酮、2-辛酮、2-壬酮)在雄性样品中的含量是雌性样品的2.6-5.6倍。配对诱捕箱现场试验中,合成酮诱捕箱捕获雌虫(17只 : 5只)为未诱捕箱的3.4倍,雄虫(5只 : 8只)为未诱捕箱的1.6倍。在后续的田间配对诱捕实验中,与仅以酮为诱饵的对照箱相比,同时使用酮饵和合成睾酮的处理箱捕获的成熟雌虫和未成熟雌虫分别多8倍和2.3倍,而未成熟雄虫则少9倍,均表明睾酮是一种协同性引诱的半化学物质。正如先前在家鼠、小家鼠和褐鼠、褐家鼠中所显示的那样,雄性鹿鼠的性引诱物化学成分包括挥发性和性类固醇成分。
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引用次数: 0
Desert ants avoid ambush predator pits depending on position, visual landmarks and trapped nestmates. 沙漠蚂蚁会根据位置、视觉地标和被困的同伴来避开埋伏的捕食者坑。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.241500
Adi Bar, Eden Raveh-Pal, Aziz Subach, Susanne Foitzik, Inon Scharf

Central-place foragers face high predation risk when repeatedly using routes near their nest, as predators can learn to ambush them there. We investigated the factors influencing the likelihood of desert ant foragers falling into pitfall traps, simulating common predators such as antlions or spiders. We varied the spatial configuration of the pitfall traps, the presence of trapped nestmates and the availability of visual landmarks to study the workers' susceptibility to falling into pits and their foraging success. Our results showed that a zigzag configuration of pits led to the fewest workers reaching the food reward, compared with straight-line and right-angled-triangle configurations. Over successive runs, workers became more efficient, with fewer falls into pits and faster food discovery, suggesting they either learned the locations of the pits or became more cautious. In any case, the ants learned about important landscape features close to their nest and the best way of navigating around it. Additionally, we examined the impact of trapped nestmates and visual landmarks. We found that pits marked with visual landmarks resulted in fewer falls. However, pits containing trapped nestmates attracted more ants, impaired food discovery and increased falling rates into pits, thereby imposing a twofold cost on ant foragers.

当觅食者反复使用靠近巢穴的路线时,它们面临着很高的被捕食风险,因为捕食者可以学会在那里伏击它们。我们研究了影响沙漠蚂蚁觅食者落入陷阱可能性的因素,模拟了常见的捕食者,如蚁狮或蜘蛛。我们通过改变陷阱的空间配置、被困同伴的存在和视觉标志的可用性来研究工蚁对陷阱的易感性和觅食成功率。我们的研究结果表明,与直线和直角三角形结构相比,锯齿形结构的坑导致最少的工人获得食物奖励。在连续的运行中,工人们变得更有效率,更少掉到坑里,更快地发现食物,这表明他们要么知道了坑的位置,要么变得更加谨慎。无论如何,蚂蚁学会了巢附近的重要景观特征,以及在巢周围导航的最佳方式。此外,我们还研究了被困的同伴和视觉地标的影响。我们发现,有视觉标志的凹坑会减少摔倒的次数。然而,含有被困配偶的坑吸引了更多的蚂蚁,损害了食物的发现,增加了掉进坑里的几率,从而给蚂蚁觅食者带来了双倍的成本。
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引用次数: 0
The effects of listening on speaker and listener while talking about character strengths: an open science school-wide collaboration. 在谈论性格优势时,倾听对说话者和听者的影响:一个开放的全校科学合作。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.221342
Tia Moin, Netta Weinstein, Guy Itzchakov, Amanda Branson, Beth Law, Lydia Yee, Emma Pape, Rebecca Y M Cheung, Anthony Haffey, Bhismadev Chakrabarti, Philip Beaman

Listening is understood to be a foundational element in practices that rely on effective conversations, but there is a gap in our understanding of what the effects of high-quality listening are on both the speaker and listener. This registered report addressed this gap by training one group of participants to listen well as speakers discuss their character strengths, allowing us to isolate the role relational listening plays in strengths-based conversations. Participants were paired and randomly assigned to a high-quality listening (experimental) or moderate-quality listening (comparison) condition manipulated through a validated video-based training. High-quality listening predicted a more constructive relational experience; specifically, positivity resonance. Intrapersonal experiences (perceived authenticity and state anxiety) were not affected. Those who engaged in high-quality listening expressed a behavioural intention to continue listening, but condition did not predict a behavioural intention for speakers to continue applying character strengths. This is the first evidence of positivity resonance as a shared outcome between both a speaker and listener when the listener conveys high-quality (as opposed to 'everyday') listening. These early findings merit further study with stronger listening manipulations to explore the potential role of listening within interpersonal communication, and inform the applied psychological sciences (counselling, psychotherapy, coaching, organizational, education).

倾听被认为是实践中依赖于有效对话的基本要素,但我们对高质量倾听对说话者和听者的影响的理解存在差距。这个注册报告通过训练一组参与者在演讲者讨论他们的性格优势时倾听,从而解决了这一差距,使我们能够分离出关系倾听在基于优势的对话中所起的作用。通过经过验证的基于视频的训练,参与者被配对并随机分配到高质量听力(实验)或中等质量听力(比较)条件。高质量的倾听预示着更有建设性的关系体验;具体来说,就是正性共振。个人体验(感知真实性和状态焦虑)不受影响。那些从事高质量听力的人表达了继续听力的行为意愿,但条件并没有预测说话者继续运用性格优势的行为意愿。这是第一个证据表明,当听者传达高质量(而不是“日常”)的倾听时,说话者和听者之间会产生积极的共鸣。这些早期发现值得进一步研究,以探索倾听在人际沟通中的潜在作用,并为应用心理科学(咨询,心理治疗,教练,组织,教育)提供信息。
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引用次数: 0
Experience and trust: the benefits of mate familiarity are realized through sex-specific specialization of parental roles in Cassin's auklet. 经验和信任:配偶熟悉的好处是通过卡辛小海雀父母角色的性别专业化来实现的。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.241258
Amy Yanagitsuru, Christopher Tyson, Frédéric Angelier, Michael Johns, Thomas Hahn, John Wingfield, Haley Land-Miller, Rebecca Forney, Elisha Hull

Maintaining a pair bond year after year (perennial monogamy) often enhances reproductive success, but what familiar pairs are doing differently to improve success is unknown. We tested the hypothesis that endocrine changes mediate improvements in parental attendance in known-age Cassin's auklets Ptychoramphus aleuticus, for which we found limited evidence. Instead, we found sex-specific parental roles in familiar pairs. Males modulated their nest attendance depending on the attendance of their mate, but the direction depended on mate familiarity. We suggest his flexibility may be mediated by prolactin. In a historical dataset, females with a familiar mate laid larger eggs that hatched into more robust chicks, but larger eggs correlated with lower female body condition. In study birds, attendance by males and females in good condition predicted chick weight, but attendance by females in poor condition did not, suggesting female-specific energetic constraint. Our findings suggest that males and females contribute differently to their joint reproductive fortunes, and that improvements in their respective roles may result in the benefits of mate familiarity. Since improved reproductive success is presumed to be a main benefit of maintaining a long-term pair bond, these results suggest a new avenue of research in the evolution of monogamy.

年复一年地保持一对伴侣关系(常年一夫一妻制)通常会提高繁殖成功率,但熟悉的伴侣在提高成功率方面做了什么不同的事情却不得而知。我们对已知年龄卡辛小海雀(casin’s auklets Ptychoramphus aleuticus)的内分泌变化调节父母出勤率的假设进行了测试,但我们发现的证据有限。相反,我们在熟悉的伴侣中发现了性别特定的父母角色。雄鸟根据配偶的出勤情况调整巢的出勤情况,但方向取决于配偶的熟悉程度。我们认为他的柔韧性可能是由催乳素介导的。在一个历史数据集中,有一个熟悉的伴侣的雌性会下更大的蛋,孵出更强壮的小鸡,但更大的蛋与雌性身体状况较差有关。在研究鸟中,状态良好的雄性和雌性的出席率预测了雏鸟的体重,但状态较差的雌性出席率没有预测雏鸟的体重,这表明雌性特有的能量限制。我们的研究结果表明,雄性和雌性在共同繁殖方面的贡献是不同的,它们各自角色的改善可能会带来配偶熟悉度的好处。由于提高繁殖成功率被认为是维持长期伴侣关系的主要好处,这些结果为研究一夫一妻制的进化提供了一条新的途径。
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引用次数: 0
Flexible males, proactive females: increased boldness/exploration damping with time in male but not female colonists. 灵活的男性,积极主动的女性:随着时间的推移,男性殖民者的胆识/探索能力会增加,而女性殖民者则不会。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.240842
Andrey V Tchabovsky, Elena N Surkova, Ludmila E Savinetskaya, Ivan S Khropov

Individuals colonizing new areas during range expansion encounter challenging and unfamiliar environments, suggesting that colonists should differ in behavioural traits from residents of source populations. The colonizer syndrome is supposed to be associated with boldness, exploration, activity and low sociability. We assessed spatial and temporal variation of the colonizer syndrome in an expanding population of midday gerbils (Meriones meridianus). Male-first colonists did not differ significantly from residents of the source population, whereas female-first colonists were bolder, faster and more explorative than females from the source population. These findings support a boldness/exploration syndrome as a typical colonizer trait, which appears to be restricted to females in midday gerbils. Males and females also differed in behavioural dynamics after colony establishment. In males, boldness/exploration/sociability peaked in newly founded colonies, then sharply decreased in subsequent generations consistently with decreasing environmental uncertainty in ageing colonies. In females, greater boldness/exploration did not diminish with time post-colonization, i.e. female colonists retained the bold/explorative phenotype in subsequent generations despite facing a less challenging environment. Thus, female colonists, unlike males, carry a specialized behavioural colonizer phenotype corresponding to a proactive behavioural coping strategy. We link sex differences in behavioural traits of colonists to sex-specific life-history strategies.

在活动范围扩大的过程中,个体在新地区殖民时会遇到具有挑战性和不熟悉的环境,这表明殖民者的行为特征与源种群的居民不同。殖民者综合症被认为与大胆、探索、活跃和低社交能力有关。我们评估了正午沙鼠(Meriones meridianus)不断扩大的种群中殖民者综合征的时空变化。男性优先的殖民者与源种群的居民没有显著差异,而女性优先的殖民者比源种群的女性更大胆、更快、更有探索精神。这些发现支持大胆/探索综合症是典型的殖民者特征,这似乎仅限于正午沙鼠中的雌性。雄性和雌性在群体建立后的行为动态也有所不同。在雄性中,大胆/探索/社交能力在新建立的群体中达到顶峰,然后在后代中急剧下降,与老化的群体中环境不确定性的减少一致。在女性中,更大的大胆/探索并没有随着殖民后的时间而减少,即女性殖民者在后代中保留了大胆/探索的表型,尽管面临的环境挑战性较小。因此,与男性不同,女性殖民者携带一种特殊的行为殖民者表型,对应于一种主动的行为应对策略。我们将殖民者行为特征的性别差异与性别特异性生活史策略联系起来。
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引用次数: 0
Changes in wing resonance in dried preserved crickets. 干燥保存蟋蟀翅膀共振的变化。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.241147
Sophia Laskri, Lewis B Holmes, Thomas Dixon, Tony Robillard, Fernando Montealegre-Z

Male crickets sing to attract females for mating. Sound is produced by tegminal stridulation, where one wing bears a plectrum and the other a wing vein modified with cuticular teeth. The carrier frequency (fc ) of the call is dictated by the wing resonance and the rate of tooth strikes. Therefore, the fc varies across species due to the size of the vibrating membranes on the wings and/or the speed of tooth strikes. But how well is the resonant frequency (fo ) conserved in dried preserved specimens? This project is designed to investigate the gradual change in cricket wing fo over time and aims to produce equations that help to predict or recover the original natural frequency of wing vibration in dry-preserved crickets and allies. Using laser Doppler vibrometry, we scanned the wings of living specimens to determine their fo . The specimens were then preserved, allowing us to continue measuring the wings fo as they desiccate. We found that after the first week, fo increases steeply, reaching a plateau and stabilizing for the following months. We go on to propose a model that can be used to recover the original fc of the wings of preserved Ensifera that use pure tones for communication. Models were corroborated using preserved specimens previously recorded and mounted in dry collections for more than 10 years.

雄蟋蟀唱歌来吸引雌蟋蟀交配。声音是由初生的鸣声产生的,其中一只翅膀上有一个拨子,另一只翅膀上有一个带有角质层齿的翅膀静脉。呼叫的载波频率(fc)是由翅膀共振和牙齿撞击率决定的。因此,由于翅膀上振动膜的大小和/或牙齿撞击的速度,不同物种的fc是不同的。但是共振频率(fo)在干燥保存的标本中保存得如何呢?该项目旨在研究蟋蟀翅膀随时间的逐渐变化,旨在建立方程,帮助预测或恢复干燥保存蟋蟀及其盟友翅膀振动的原始固有频率。使用激光多普勒振动仪,我们扫描了活标本的翅膀,以确定它们的位置。然后这些标本被保存下来,这样我们就可以在它们变干的时候继续测量翅膀的大小。我们发现,在第一周之后,它急剧增加,达到一个平台,并在接下来的几个月稳定下来。我们提出了一个模型,可以用来恢复保存的Ensifera的原始翅膀,使用纯音进行交流。模型被先前记录的保存标本所证实,这些标本被放置在干燥的收藏品中超过10年。
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引用次数: 0
Opening the black box of article retractions: exploring the causes and consequences of data management errors. 打开文章撤稿的黑箱:探讨数据管理错误的原因和后果。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.240844
Marton Kovacs, Marton A Varga, Dominik Dianovics, Russell A Poldrack, Balazs Aczel

The retraction of an article is probably the most severe outcome of a scientific project. While great emphasis has been placed on articles retracted due to scientific misconduct, studies show many retractions are due to honest errors. Unfortunately, in most cases, retraction notices do not provide sufficient information to determine the specific types and causes of these errors. In our study, we explored the research data management (RDM) errors that led to retractions from the authors' perspectives. We collected responses from 97 researchers from a broad range of disciplines using a survey design. Our exploratory results suggest that just about any type of RDM error can lead to the retraction of a paper, and these errors can occur at any stage of the data management workflow. The most frequently occurring cause of an error was inattention. The retraction was an extremely stressful experience for the majority of our sample, and most surveyed researchers introduced changes to their data management workflow as a result. Based on our findings, we propose that researchers revise their data management workflows as a whole instead of focusing on certain aspects of the process, with particular emphasis on tasks vulnerable to human fallibility.

撤回一篇文章可能是一个科学项目最严重的后果。虽然人们非常重视由于科学不端行为而被撤稿的文章,但研究表明,许多撤稿是由于诚实的错误。不幸的是,在大多数情况下,撤稿通知没有提供足够的信息来确定这些错误的具体类型和原因。在我们的研究中,我们从作者的角度探讨了导致撤稿的研究数据管理(RDM)错误。我们使用调查设计收集了来自广泛学科的97名研究人员的回答。我们的探索性结果表明,几乎任何类型的RDM错误都可能导致论文被撤回,这些错误可能发生在数据管理工作流程的任何阶段。出错最常见的原因是注意力不集中。对于我们的大多数样本来说,撤稿是一个非常有压力的经历,因此大多数被调查的研究人员都对他们的数据管理工作流程进行了更改。基于我们的研究结果,我们建议研究人员从整体上修改他们的数据管理工作流程,而不是专注于流程的某些方面,特别强调易受人为错误影响的任务。
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引用次数: 0
Morphogenesis of pteraspid heterostracan oral plates and the evolutionary origin of teeth. 翼类异straans口板的形态发生与牙齿的进化起源。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.240836
Madleen Grohganz, Zerina Johanson, Joseph N Keating, Philip C J Donoghue

Teeth are a key vertebrate innovation; their evolution is generally associated with the origin of jawed vertebrates. However, tooth-like structures already occur in jawless stem-gnathostomes; heterostracans bear denticles and morphologically distinct tubercles on their oral plates. We analysed the histology of the heterostracan denticles and plates to elucidate their morphogenesis and test their homology to the gnathostome oral skeleton. We identified a general model of growth for heterostracan oral plates that exhibit proximal episodic addition of tubercle rows. The distal hook exhibits truncated lamellae compatible with resorption, but we observe growth layers to be continuous between denticles. The denticles show no evidence of patterns of apposition or replacement indicating tooth homology. The oral plates and dermal skeleton share the same histological layers. The denticles grew in a manner comparable to the oral plate tubercles and the rest of the dermal skeleton. Our test of phylogenetic congruence reveals that the distribution of internal odontodes is discontinuous, indicating that the capacity to form internal odontodes evolved independently several times among stem-gnathostomes. Our results support the 'outside-in' hypothesis and the origin of teeth through the spread of odontogenic competence from extra-oral to oral epithelia and the subsequent co-option to a tooth function in gnathostomes.

牙齿是脊椎动物的关键创新;它们的进化通常与有颌脊椎动物的起源有关。然而,类似牙齿的结构已经出现在无颌的干颌口;异种动物在其口腔板上有齿和形态上明显的小结节。我们分析了异鳞目牙齿和牙板的组织学,以阐明它们的形态发生,并检验它们与颌目口腔骨骼的同源性。我们确定了异鼠口板生长的一般模型,表现出近端偶发性的结节行增加。远端钩显示截短的片层与吸收相容,但我们观察到齿间生长层是连续的。牙齿显示没有证据的模式,并列或替代表明牙齿同源性。口腔板和真皮骨架具有相同的组织层。牙齿的生长方式与口腔板结节和真皮骨骼的其余部分相当。我们的系统发育一致性测试表明,内齿的分布是不连续的,这表明形成内齿的能力在茎颌目中独立进化了几次。我们的研究结果支持“由外而内”的假说和牙齿的起源,通过口腔外上皮的成牙能力扩散到口腔上皮,并随后在颌口中共同选择牙齿功能。
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引用次数: 0
First-principles pressure-dependent investigation of the physical and superconducting properties of ThCr2Si2-type superconductors SrPd2X2 (X = P, As). thcr2si2型超导体SrPd2X2 (X = P, As)物理和超导性能的第一性原理压力依赖性研究。
IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Pub Date : 2024-12-18 eCollection Date: 2024-12-01 DOI: 10.1098/rsos.241435
Md Asrafusjaman, M A Islam, Areef Billah, Bashir Ahmmad

The physical and superconducting characteristics of SrPd2P2 and SrPd2As2 compounds with applied pressure were calculated using density functional theory. The pressure effect on the structural properties of these compounds was investigated. The results show that both lattice constants and volume decrease almost linearly with increasing pressure. The elastic constants (C ij) for both compounds increase with increasing pressure and satisfy Born criteria for mechanical stability. The elastic parameters indicate the ductile behaviour and anisotropic nature of these compounds under applied pressure. The Debye temperature (ϴ D) and melting temperature (T m) increase with increasing pressure. The electronic band structure calculation of both compounds exhibits metallic characteristics at different pressures. The density of electronic states at the Fermi level, N(E F), consistently decreases as pressure increases, which is also reflected in the repulsive Coulomb pseudopotential (µ*), and the electron-phonon coupling constant (λ). These optical features suggest that both compounds are suitable for optoelectronic device applications. Furthermore, the superconducting transition temperature, T c, for both compounds is predicted to vary with applied pressure due to changes in ϴ D , N(E F), µ* and λ.

利用密度泛函理论计算了SrPd2P2和SrPd2As2化合物在施加压力下的物理和超导特性。研究了压力对这些化合物结构性能的影响。结果表明,随着压力的增加,晶格常数和体积几乎呈线性减小。两种化合物的弹性常数C ij随压力的增加而增大,满足Born力学稳定性判据。弹性参数反映了这些化合物在施加压力下的延性和各向异性。德拜温度(ϴ D)和熔融温度(T m)随压力的增加而升高。两种化合物在不同压力下的电子能带结构计算均表现出金属特征。费米能级的电子态密度N(E F)随着压力的增加而不断减小,这也反映在排斥力库仑赝势(µ*)和电子-声子耦合常数(λ)上。这些光学特性表明这两种化合物都适合于光电子器件应用。此外,由于ϴ D, N(E F),µ*和λ的变化,这两种化合物的超导转变温度T c预计会随着施加压力的变化而变化。
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Royal Society Open Science
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