bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mesoionic and N‐Heterocyclic Carbenes Coordinated N+ Center: Experimental and Computational Analysis
Authors: Dubey Gurudutt , Awari Shruti , Singh Tejender , Sahoo Subash C. , Bharatam Prasad V. 
Published: September 2021

AbstractN‐Heterocyclic carbenes, carbocyclic carbenes, remote N‐heterocyclic carbenes and N‐heterocyclic silylenes are known to form L→N+ coordination bonds. However, mesoionic carbenes (MICs) are not reported to form coordination bonds with cationic nitrogen. Herein, synthesis and quantum chemical studies were performed on 1,2,3‐triazol‐5‐ylidene stabilized N+ center. Six compounds with MIC→N+←NHC were synthesized. Density functional theory calculations and energy decomposition analysis were carried out to explore the bonding situation between MIC and N+ center. The C→N+ bond lengths were in the range of 1.295–1.342 Å and bond dissociation energies were <400 kcal/mol. Natural bond orbital analysis supported the presence of excess electron density (>3 electrons) at the N+ center. The computational and X‐ray diffraction analysis results confirmed the presence of divalent NI character of center nitrogen and MIC→N+←NHC coordination interactions.
Association between proton pump inhibitors and periodontal disease severity
Authors: Chawla Bhavneet K. , Cohen Robert E. , Yerke Lisa M. 
Published: September 2021

AbstractObjectivesProton pump inhibitors (PPIs) are commonly prescribed for the management of acid‐related gastrointestinal disorders. PPIs modulate osteoclast function, reduce gastric acid secretion, and are associated with the establishment of a more diverse gastrointestinal microbiota. Periodontitis is characterized by microbe‐associated host‐mediated inflammation that results in loss of periodontal attachment. The aim of this study was to assess whether a relationship exists between PPIs and periodontal disease.Materials and methodsA retrospective analysis was performed using patient records from a faculty periodontal practice. The proportion of elevated probing depths was used to measure periodontitis severity. Statistical analysis was performed using independent sample t‐tests, and Chi‐square tests of independence.ResultsRecords from 1093 patients were initially assessed. Fourteen percent of teeth were associated with ≥6 mm probing depths among PPI users, in contrast to 24% for patients not using PPIs (P = 0.030). Similarly, 27% of teeth exhibited ≥5 mm probing depths among PPI users versus 40% for non‐PPI users (P = 0.039).ConclusionsThe results suggest that PPIs are associated with a reduced proportion of elevated probing depths. Future prospective studies are indicated to elucidate possible mechanisms through which PPIs might affect, and potentially be used in the treatment of, periodontitis.
Bimetallic Cu−Co−Se Nanotube Arrays Assembled on 3D Framework: an Efficient Bifunctional Electrocatalyst for Overall Water Splitting
Authors: Ma Zizai , Gu Xundi , Liu Guang , Zhao Qiang , Li Jinping , Wang Xiaoguang 
Published: September 2021

AbstractHighly active bifunctional electrocatalysts for water splitting are of particular importance for the widespread usage of renewable energy, which require synergistic effect of ingenious architecture and intrinsic catalytic activity. Herein, a novel Cu−Co−Se nanotube array supported on 3D copper skeleton was synthesized as high‐efficiency bifunctional electrocatalyst for overall water splitting via a facile two‐step hydrothermal method. The rationally designed Cu−Co−Se nanotube electrocatalyst exhibited good electrocatalytic performance, with overpotential of only 152 mV to generate 10 mA cm−2 for the hydrogen evolution reaction and a small overpotential of 332 mV to drive a current density of 50 mA cm−2 for the oxygen evolution reaction. The good electrocatalytic performance was mainly due to the large electrochemical surface area and electronic coupling synergies triggered by the self‐supported bimetallic nanotube architecture. The water splitting system assembled using Cu−Co−Se nanotube as cathode and anode only needed a cell voltage of 1.65 V to drive a current density of 10 mA cm−2 with long durability of 50 h for overall water splitting. Furthermore, density functional theory calculations proved that the existence of electron exchange between the neighboring bimetals as well as the coupling between Cu, Co, and Se contributed to the improvement of the water splitting performance. This work provides a general strategy to develop cost‐efficient and geometrically superior bimetallic electrocatalysts toward water splitting for large‐scale hydrogen production.
Iron‐Based NASICON‐Type Na4Fe3(PO4)2(P2O7) Cathode for Zinc‐Ion Battery: Zn2+/Na+ Co‐Intercalation Enabling High Capacity
Authors: Ma Xudong , Wang Donghai , Xu Ruimei , Lai Yongjian , Yu Xiao , Liu Yong 
Published: September 2021

AbstractThe development of high‐performance cathode materials for aqueous zinc‐ion batteries (ZIBs) based on nontoxic and earth‐abundant elements remains a great challenge. This study introduces the iron‐based NASICON‐type material Na4Fe3(PO4)2(P2O7) with carbon layer (NFPP@C) as a cathode material for ZIBs. When Zn2+/Na+ dual ion electrolyte is employed, NFPP@C shows a high capacity of 114.4 mAh g−1 with two voltage plateaus, excellent rate capability (95 mAh g−1 at 2 A g−1), and long‐term cycling stability (66.4 mAh g−1 after 1800 cycles at 1 A g−1). The outstanding electrochemical performance is ascribed to the synergistic use of NFPP@C and dual ion electrolyte. The NASICON‐structure and carbon layer of NFPP@C enable fast ion and electron transport, whereas Na+ in the electrolyte reduces the concentration gradient between the electrode and electrolyte, and thus inhibits excessive extraction of Na+ from NFPP, maintaining structural stability. Moreover, Zn2+/Na+ co‐intercalation in NFPP@C brings two potential platforms and enhanced capacity.
Ethologically relevant repeated acute social stress induces maternal neglect in the lactating female mouse
Authors: Rosinger Zachary J. , Mayer Heather S. , Geyfen Jacqueline I. , Orser Mable K. , Stolzenberg Danielle S. 
Published: September 2021

AbstractPsychosocial stress is a top predictor of peripartum mood disorders in human mothers. In the present study, we developed a novel paradigm testing the effects of direct and vicarious social stress on maternal and mood‐related behaviors in B6 mice. Using a novel housing paradigm, we examined the extent to which postpartum dams withdrew from litters following psychosocial stress. Repeated acute direct social stress involved exposing dams to a virgin male mouse for 7 min/day on postpartum days 5–7 during a brief (15‐min) mother–pup separation. To remove the effects of direct stress, the vicarious social stress dams were housed in the same vivarium as direct social stressed dams, but without direct exposure to intruders. Control dams were given mock intruder exposure and housed in a separate vivarium room containing breeding mice. All dams experienced pup separation, and maternal care was investigated upon reunion. Direct and vicarious social stress induced significant deficits in maternal care and increased maternal anxiety relative to controls. Although vicarious stress effects were more likely to occur on days when there was acute stress exposure, direct stress sustained maternal deficits 24 h after the final stressor. Together, these data suggest psychosocial stress induces aberrant maternal phenotypes in mice.
The roots of paternal depression: Experienced and nonexperienced trauma or Folie a Deux?
Authors: Ferber Sari Goldstein , Braun Katharina , Weller Aron 
Published: September 2021

AbstractThe transition to fatherhood may be challenged with anxiety and trepidation. A high prevalence has been found for paternal depression and it is reactive to maternal depression. This review aims to address potential sources of paternal depression, which may have adverse consequences on child development. We describe through three hypotheses how fathers may be at risk of depression during the transition to fatherhood: (1) psychological (interacting with ecological systems); (2) brain functional∖structural changes; and (3) (epi)genomic. We propose that paternal stressful experiences during the transition to fatherhood may be the source for paternal depression through direct stressful paternal experiences or via (potential, currently debated) nonexperienced (by the father) epigenomic transgenerational transmission. On the other hand, we suggest that resilient fathers may undergo a transient dysphoric period affected by identifying with the newborn's vulnerability as well as with the mother's postpartum vulnerability resulting in “paternity blues.” In accordance with recent views on paternal “heightened sensitivity” toward the infant, we propose that the identification of both parents with the vulnerability of the newborn creates a sensitive period of Folie a Deux (shared madness) which may be a healthy transient, albeit a quasi‐pathological period, recruited by the orienting response of the newborn for survival.
MicroRNA roles in regeneration: Multiple lessons from zebrafish
Authors: Ribeiro Amanda Oliveira , de Oliveira Arthur Casulli , Costa Juliana Mara , Nachtigall Pedro Gabriel , Herkenhoff Marcos Edgar , Campos Vinicius Farias , Delella Flávia Karina , Pinhal Danillo 
Published: September 2021

AbstractMicroRNAs (miRNAs) are small noncoding RNAs with pivotal roles in the control of gene expression. By comparing the miRNA profiles of uninjured vs. regenerating tissues and structures, several studies have found that miRNAs are potentially involved in the regenerative process. By inducing miRNA overexpression or inhibition, elegant experiments have directed regenerative responses validating relevant miRNA‐to‐target interactions. The zebrafish (Danio rerio) has been the epicenter of regenerative research because of its exceptional capability to self‐repair damaged tissues and body structures. In this review, we discuss recent discoveries that have improved our understanding of the impact of gene regulation mediated by miRNAs in the context of the regeneration of fins, heart, retina, and nervous tissue in zebrafish. We compiled what is known about the miRNA control of regeneration in these tissues and investigated the links among up‐regulated and down‐regulated miRNAs, their putative or validated targets, and the regenerative process. Finally, we briefly discuss the forthcoming prospects, highlighting directions and the potential for further development of this field.
Preprinting is positively associated with early career researcher status in ecology and evolution
Authors: Wolf Jesse F. , MacKay Layla , Haworth Sarah E. , Cossette Marie‐Laurence , Dedato Morgan N. , Young Kiana B. , Elliott Colin I. , Oomen Rebekah A. 
Published: September 2021

AbstractThe usage of preprint servers in ecology and evolution is increasing, allowing research to be rapidly disseminated and available through open access at no cost. Early Career Researchers (ECRs) often have limited experience with the peer review process, which can be challenging when trying to build publication records and demonstrate research ability for funding opportunities, scholarships, grants, or faculty positions. ECRs face different challenges relative to researchers with permanent positions and established research programs. These challenges might also vary according to institution size and country, which are factors associated with the availability of funding for open access journals. We predicted that the career stage and institution size impact the relative usage of preprint servers among researchers in ecology and evolution. Using data collected from 500 articles (100 from each of two open access journals, two closed access journals, and a preprint server), we showed that ECRs generated more preprints relative to non‐ECRs, for both first and last authors. We speculate that this pattern is reflective of the advantages of quick and open access research that is disproportionately beneficial to ECRs. There is also a marginal association between first author, institution size, and preprint usage, whereby the number of preprints tends to increase with institution size for ECRs. The United States and United Kingdom contributed the greatest number of preprints by ECRs, whereas non‐Western countries contributed relatively fewer preprints. This empirical evidence that preprint usage varies with the career stage, institution size, and country helps to identify barriers surrounding large‐scale adoption of preprinting in ecology and evolution.
Environmental DNA reveals a multi‐taxa biogeographic break across the Arabian Sea and Sea of Oman
Authors: DiBattista Joseph D. , Berumen Michael L. , Priest Mark A. , De Brauwer Maarten , Coker Darren J. , Sinclair‐Taylor Tane H. , Hay Amanda , Bruss Gerd , Mansour Shawky , Bunce Michael , Goatley Christopher H. R. , Power Matthew , Marshell Alyssa 
Published: September 2021

AbstractEnvironmental DNA (eDNA) is increasingly being used to assess community composition in marine ecosystems. Applying eDNA approaches across broad spatial scales now provide the potential to inform biogeographic analyses. However, to date, few studies have employed this technique to assess broad biogeographic patterns across multiple taxonomic groups. Here, we compare eDNA‐derived communities of bony fishes and invertebrates, including corals and sponges, from 15 locations spanning the entire length of the Omani coast. This survey includes a variety of habitats, including coral and rocky reefs, and covers three distinct marine ecoregions. Our data support a known biogeographic break in fish communities between the north and the south of Oman; however, the eDNA data highlight that this faunal break is mostly reflected in schooling baitfish species (e.g., sardines and anchovies), whereas reef‐associated fish communities appear more homogeneous along this coastline. Furthermore, our data provide indications that these biogeographic breaks also affect invertebrate communities, which includes corals, sponges, and broader eukaryotic groups. The observed community shifts were correlated with local environmental and anthropogenic differences characteristic of this coastline, particularly for the eDNA‐derived bony fish communities. Overall, this study provides compelling support that eDNA sequencing and associated analyses may serve as powerful tools to detect community differences across biogeographic breaks and ecoregions, particularly in places where there is significant variation in oceanographic conditions or anthropogenic impacts.
Recent Advances in the Development of Blue and Deep‐Blue Emitting Gold(I) and Gold(III) Molecular Systems
Authors: Malmberg Robert , Venkatesan Koushik 
Published: September 2021

AbstractHighly efficient deep‐blue and blue emitting complexes remain one of the most back‐breaking challenges to overcome for organic light emitting diode (OLED) devices applications. Apart from the well‐investigated emitter systems involving iridium(III) and platinum(II) metal centres, gold(I) and gold(III) systems are gaining increasing attention as emitter systems with remarkable photoluminescence and electroluminescence properties. While most of the investigated Au(I) and Au(III) complexes emit in the green to yellow region, only a handful of examples show blue to deep‐blue emission. One of the main challenges to overcome are to develop ligand frameworks that lead to large triplet energies (ET >2.7 eV), while maintaining high thermal and photostability of the complexes. A number of solutions involving the introduction of strong σ‐donors, sterically demanding ligands as well as bidentate and tridentate ligand frameworks were found in order to stabilise the gold(I) and gold(III) centres, respectively. This minireview summarises the recent advances of deep‐blue and blue‐emitting Au(I) and Au(III) complexes by highlighting the important milestones and the challenges yet to overcome.
Alkali Metal Alkoxides in Noyori‐Type Hydrogenations
Authors: Dub Pavel A. 
Published: September 2021

AbstractThis minireview discusses the accelerative role of alkali metal alkoxides in two important catalytic processes: hydrogenation of ketones and esters with Noyori‐type molecular catalysts. Here I offer my perspective on the unique mechanistic aspects of these reactions – a subject that remains controversial and often misunderstood.
Construction of Si‐Stereogenic Silanes through C−H Activation Approach
Authors: Zheng Long , Nie Xiao‐Xue , Wu Yichen , Wang Peng 
Published: September 2021

AbstractThe asymmetric synthesis of Si‐stereogenic silanes has attracted great attention due to the increasing values of Si‐containing functional molecules in synthetic chemistry, medicinal chemistry, and material chemistry. Merging organosilicon chemistry with transition‐metal‐catalyzed C−H approach has led to rich sets of new reactions holding great synthetic values. This Minireview aims to summarize the advances in the construction of Si‐stereogenic silanes through the transition‐metal‐catalyzed C−H activation approach.
A five‐factor integrative taxonomy of strategic reasoning in dyadic games
Authors: Pulford Briony D. , Krockow Eva M. , Pinto Diana G. , Colman Andrew M. 
Published: September 2021

AbstractAcross two studies, we used verbal protocol analysis to develop a taxonomy of reasoning in dyadic matrix games. Participants were instructed to think aloud as they made decisions in the games. Their comments were recorded, audio files transcribed and the results analysed using a grounded theory approach. Five main strategic reasoning factors emerged: (1) motivation (social value orientations); (2) processing style (global‐analytic vs. local focus); (3) perspective taking (number of steps of iterated perspective taking); (4) regulatory focus (promotion‐seeking vs. prevention‐seeking) and (5) mental representation (gist vs. verbatim representation). Our findings corroborate some elements of previous decision research, and they also suggest that no single existing theory can account for the multimodal reasoning factors found to underlie reasoning even in relatively simple games. We propose a new, five‐factor integrative strategic reasoning taxonomy to explain choices in dyadic games.
An empirical model for the vertical‐to‐horizontal spectral ratios for Italy
Authors: Ramadan Fadel , Smerzini Chiara , Lanzano Giovanni , Pacor Francesca 
Published: September 2021

AbstractThis work presents a novel empirical Ground Motion prediction Model (GMM) for vertical‐to‐horizontal (VH) response spectral amplitudes up to 10 s, peak ground acceleration and velocity for shallow crustal earthquakes in Italy. Being calibrated on the most up‐to‐date strong motion dataset for Italian crustal earthquakes (ITA18), the model is consistent with the ITA18 GMM for the horizontal ground motion. This property makes the model useful in probabilistic seismic hazard assessment for Italy to derive compatible vertical and horizontal response spectra. To account for the increase of VH ratios in the proximity of the seismic source, an adjustment term is introduced to improve the prediction capability of the model in near‐source conditions, relying on the worldwide NEar‐Source Strong motion dataset (NESS). The proposed model uses a simple functional form restricted to a limited number of predictor variables, namely, magnitude, source‐to‐site distance, focal mechanism, and site effects, and the variability associated with both VH and V models is provided.
A novel analytical approach to study the charging characteristics of a shell and tube thermal energy storage system
Authors: Agrawal Abhishek , Kumar Ashish , Rakshit Dibakar 
Published: September 2021

AbstractThis study presents a novel analytical solution of the phase change problem in a shell and tube arrangement of latent heat thermal energy storage (LHTES) system. The transient melting behavior of phase change material (PCM) is captured using time‐dependent boundary conditions and moving interface energy equation. An approximate mathematical model is developed with the help of dimensionless number (η), exponential integral function, Lambert W function, and Swamee and Oijha approximation. The proposed analytical solution is used for investigating the thermal performance of low, medium, and high melting temperature PCM for building, solar absorption cooling, and concentrated solar power (CSP) applications, respectively. The results obtained from the analytical approach are compared with a numerical model based on the enthalpy method. It is found that the root mean square difference between the average PCM temperature obtained from analytical solution and detailed numerical analysis is 3.3°C, 1.2°C, and 0.1°C for the low, medium, and high‐temperature systems, respectively. The temporal variation of melt front position and the effect of inner tube temperature are further investigated using the analytical solution. The mathematical model could be proposed as an effective tool for the assessment of shell and tube LHTES systems.
Effect of agricultural diversification on dietary diversity in rural households with children under 5 years of age in Zambia
Authors: Nkonde Chewe , Audain Keiron , Kiwanuka‐Lubinda Rebecca N. , Marinda Pamela 
Published: September 2021

AbstractMicronutrient deficiencies in low‐income countries are associated with the monotonous consumption of nutrient‐deficient crops, contributing to childhood stunting with far‐reaching socioeconomic consequences. To promote nutrition sensitive agriculture, policy makers in such countries have embarked on policy initiatives that encourage agricultural diversification in smallholder farming systems. This paper investigates the link between agricultural diversification and two key indicators of food and nutrition security among children under 5 years in rural Zambia. Data from the 2015 Rural Agricultural Livelihoods Survey and regression models are used to explain household dietary diversity and months of inadequate household food provisioning among 7934 households. Factors associated with the key outcome variables include land cultivated, household size, total livestock units, household head education, households receiving extension information, and use of productivity‐enhancing inputs such as fertilizers. Although the results demonstrate that agricultural diversification is positively associated with the household dietary diversity score, the relationship is not statistically significant. Further, the study findings illustrate that agricultural diversity is negatively associated with months of inadequate household food provisioning but that this relationship is also not statistically significant. The implication for policy is that other interventions such as productivity enhancement and behavioral change communication need to be scaled up.