bluuebunny/crossref_metadata_2025_split huggingface dataset:
Postpartum depression: a developed and validated model predicting individual risk in new mothers
Authors: Munk-Olsen Trine , Liu Xiaoqin , Madsen Kathrine Bang , Kjeldsen Mette-Marie Zacher , Petersen Liselotte Vogdrup , Bergink Veerle , Skalkidou Alkistis , Vigod Simone N. , Frokjaer Vibe G. , Pedersen Carsten B. , Maegbaek Merete L. 
Published: September 2022

AbstractPostpartum depression (PPD) is a serious condition associated with potentially tragic outcomes, and in an ideal world PPDs should be prevented. Risk prediction models have been developed in psychiatry estimating an individual’s probability of developing a specific condition, and recently a few models have also emerged within the field of PPD research, although none are implemented in clinical care. For the present study we aimed to develop and validate a prediction model to assess individualized risk of PPD and provide a tentative template for individualized risk calculation offering opportunities for additional external validation of this tool. Danish population registers served as our data sources and PPD was defined as recorded contact to a psychiatric treatment facility (ICD-10 code DF32-33) or redeemed antidepressant prescriptions (ATC code N06A), resulting in a sample of 6,402 PPD cases (development sample) and 2,379 (validation sample). Candidate predictors covered background information including cohabitating status, age, education, and previous psychiatric episodes in index mother (Core model), additional variables related to pregnancy and childbirth (Extended model), and further health information about the mother and her family (Extended+ model). Results indicated our recalibrated Extended model with 14 variables achieved highest performance with satisfying calibration and discrimination. Previous psychiatric history, maternal age, low education, and hyperemesis gravidarum were the most important predictors. Moving forward, external validation of the model represents the next step, while considering who will benefit from preventive PPD interventions, as well as considering potential consequences from false positive and negative test results, defined through different threshold values.
Recent progress in palladium-nonmetal nanostructure development for fuel cell applications
Authors: Wang Mengjun , Li Leigang , Wang Mingmin , Huang Xiaoqing 
Published: September 2022

AbstractDeveloping highly efficient and durable electrocatalysts plays a central role in realizing a broad range of fuel cell application. Palladium (Pd)-nonmetal nanostructures, as a special class of Pd-based alloys, have exhibited diversified advantages for fuel cell reactions. In this minireview, the most recent progress in the synthesis of Pd-nonmetal nanostructures and their applications in fuel cells are reviewed. First, the merits and advantages of Pd-nonmetal nanostructures are clarified. Next, strategies for enhancing the performance of Pd-nonmetal nanostructures are summarized by demonstrating the most typical examples. It is expected that this review will generate more research interest in the development of more advanced Pd-nonmetal nanocatalysts.
Climate change may outpace current wheat breeding yield improvements in North America
Authors: Zhang Tianyi , He Yong , DePauw Ron , Jin Zhenong , Garvin David , Yue Xu , Anderson Weston , Li Tao , Dong Xin , Zhang Tao , Yang Xiaoguang 
Published: September 2022

AbstractVariety adaptation to future climate for wheat is important but lacks comprehensive understanding. Here, we evaluate genetic advancement under current and future climate using a dataset of wheat breeding nurseries in North America during 1960-2018. Results show that yields declined by 3.6% per 1 °C warming for advanced winter wheat breeding lines, compared with −5.5% for the check variety, indicating a superior climate-resilience. However, advanced spring wheat breeding lines showed a 7.5% yield reduction per 1 °C warming, which is more sensitive than a 7.1% reduction for the check variety, indicating climate resilience is not improved and may even decline for spring wheat. Under future climate of SSP scenarios, yields of winter and spring wheat exhibit declining trends even with advanced breeding lines, suggesting future climate warming could outpace the yield gains from current breeding progress. Our study highlights that the adaptation progress following the current wheat breeding strategies is challenging.
Rheology of vitrimers
Authors: Meng Fanlong , Saed Mohand O. , Terentjev Eugene M. 
Published: September 2022

AbstractWe describe the full rheology profile of vitrimers, from small deformation (linear) to large deformation (non-linear) viscoelastic behaviour, providing concise analytical expressions to assist the experimental data analysis, and also clarify the emerging insights and rheological concepts in the subject. We identify the elastic-plastic transition at a time scale comparable to the life-time of the exchangeable bonds in the vitrimer network, and propose a new method to deduce material parameters using the Master Curves. At large plastic creep, we describe the strain thinning when the material is subjected to a constant stress or force, and suggest another method to characterize the material parameters from the creep curves. We also investigate partial vitrimers including a permanent sub-network and an exchangeable sub-network where the bond exchange occurs. In creep, such materials can exhibit either strain thinning or strain thickening, depending on applied load, and present the phase diagram of this response.
From an antiferromagnetic insulator to a strongly correlated metal in square-lattice MCl2(pyrazine)2 coordination solids
Authors: Perlepe Panagiota , Oyarzabal Itziar , Voigt Laura , Kubus Mariusz , Woodruff Daniel N. , Reyes-Lillo Sebastian E. , Aubrey Michael L. , Négrier Philippe , Rouzières Mathieu , Wilhelm Fabrice , Rogalev Andrei , Neaton Jeffrey B. , Long Jeffrey R. , Mathonière Corine , Vignolle Baptiste , Pedersen Kasper S. , Clérac Rodolphe 
Published: September 2022

AbstractElectronic synergy between metal ions and organic linkers is a key to engineering molecule-based materials with a high electrical conductivity and, ultimately, metallicity. To enhance conductivity in metal-organic solids, chemists aim to bring the electrochemical potentials of the constituent metal ions and bridging organic ligands closer in a quest to obtain metal-d and ligand-π admixed frontier bands. Herein, we demonstrate the critical role of the metal ion in tuning the electronic ground state of such materials. While VCl2(pyrazine)2 is an electrical insulator, TiCl2(pyrazine)2 displays the highest room-temperature electronic conductivity (5.3 S cm–1) for any metal-organic solid involving octahedrally coordinated metal ions. Notably, TiCl2(pyrazine)2 exhibits Pauli paramagnetism consistent with the specific heat, supporting the existence of a Fermi liquid state (i.e., a correlated metal). This result widens perspectives for designing molecule-based systems with strong metal-ligand covalency and electronic correlations.
ANGEL2 phosphatase activity is required for non-canonical mitochondrial RNA processing
Authors: Clemente Paula , Calvo-Garrido Javier , Pearce Sarah F. , Schober Florian A. , Shigematsu Megumi , Siira Stefan J. , Laine Isabelle , Spåhr Henrik , Steinmetzger Christian , Petzold Katja , Kirino Yohei , Wibom Rolf , Rackham Oliver , Filipovska Aleksandra , Rorbach Joanna , Freyer Christoph , Wredenberg Anna 
Published: September 2022

AbstractCanonical RNA processing in mammalian mitochondria is defined by tRNAs acting as recognition sites for nucleases to release flanking transcripts. The relevant factors, their structures, and mechanism are well described, but not all mitochondrial transcripts are punctuated by tRNAs, and their mode of processing has remained unsolved. Using Drosophila and mouse models, we demonstrate that non-canonical processing results in the formation of 3′ phosphates, and that phosphatase activity by the carbon catabolite repressor 4 domain-containing family member ANGEL2 is required for their hydrolysis. Furthermore, our data suggest that members of the FAST kinase domain-containing protein family are responsible for these 3′ phosphates. Our results therefore propose a mechanism for non-canonical RNA processing in metazoan mitochondria, by identifying the role of ANGEL2.
Nano-scale collinear multi-Q states driven by higher-order interactions
Authors: Gutzeit Mara , Kubetzka André , Haldar Soumyajyoti , Pralow Henning , Goerzen Moritz A. , Wiesendanger Roland , Heinze Stefan , von Bergmann Kirsten 
Published: September 2022

AbstractComplex magnetic order arises due to the competition of different interactions between the magnetic moments. Recently, there has been an increased interest in such states not only to unravel the fundamental physics involved, but also with regards to applications exploiting their unique interplay with moving electrons. Whereas it is the Dzyaloshinskii-Moriya interaction (DMI) that has attracted much attention because of its nature to induce non-collinear magnetic order including magnetic-field stabilized skyrmions, it is the frustration of exchange interactions that can drive magnetic order down to the nano-scale. On top of that, interactions between multiple spins can stabilize two-dimensional magnetic textures as zero-field ground states, known as multi-Q states. Here, we introduce a two-dimensional itinerant magnet with various competing atomic-scale magnetic phases. Using spin-polarized scanning tunneling microscopy we observe several zero-field uniaxial or hexagonal nano-scale magnetic states. First-principles calculations together with an atomistic spin model reveal that these states are stabilized by the interplay of frustrated exchange and higher-order interactions while the DMI is weak. Unexpectedly, it is found that not only non-collinear magnetic states arise, but that higher-order interactions can also lead to collinear nano-scale multi-Q states.
US cities increasingly integrate justice into climate planning and create policy tools for climate justice
Authors: Diezmartínez Claudia V. , Short Gianotti Anne G. 
Published: September 2022

AbstractClimate change is one of the most important ethical issues of our time. Urban scholars and policymakers now recognise the need to address justice concerns associated with cities’ responses to climate change. However, little empirical research has examined whether and how cities have integrated justice into climate mitigation planning. Here, we show that large cities in the US are increasingly attending to justice in their climate action plans and that the recognition of structural and historical injustices is becoming more common. We demonstrate that justice is articulated differently across mitigation sectors, uncover local characteristics that may impact cities’ level of engagement with justice, and introduce four policy tools that pioneer cities have developed to operationalise just climate policies on the ground. More attention to justice in policy implementation and evaluation is needed as cities continue to move toward just urban transitions.
Photoredox cooperative N-heterocyclic carbene/palladium-catalysed alkylacylation of alkenes
Authors: Han You-Feng , Huang Ying , Liu Hao , Gao Zhong-Hua , Zhang Chun-Lin , Ye Song 
Published: September 2022

AbstractThree-component carboacylation of simple alkenes with readily available reagents is challenging. Transition metal-catalysed intermolecular carboacylation works for alkenes with strained ring or directing groups. Herein, we develop a photoredox cooperative N-heterocyclic carbene/Pd-catalysed alkylacylation of simple alkenes with aldehydes and unactivated alkyl halides to provide ketones in good yields. This multicomponent coupling reaction features a wide scope of alkenes, broad functional group compatibility and free of exogenous photosensitizer or external reductant. In addition, a series of chlorinated cyclopropanes with one or two vicinal quaternary carbons is obtained when chloroform or carbon tetrachloride is used as the alkyl halide. The reaction involves the alkyl radicals from halides and the ketyl radicals from aldehydes under photoredox cooperative N-heterocyclic carbene/Pd catalysis.
Diminishing seasonality of subtropical water availability in a warmer world dominated by soil moisture–atmosphere feedbacks
Authors: Zhou Sha , Williams A. Park , Lintner Benjamin R. , Findell Kirsten L. , Keenan Trevor F. , Zhang Yao , Gentine Pierre 
Published: September 2022

AbstractGlobal warming is expected to cause wet seasons to get wetter and dry seasons to get drier, which would have broad social and ecological implications. However, the extent to which this seasonal paradigm holds over land remains unclear. Here we examine seasonal changes in surface water availability (precipitation minus evaporation, P–E) from CMIP5 and CMIP6 projections. While the P–E seasonal cycle does broadly intensify over much of the land surface, ~20% of land area experiences a diminished seasonal cycle, mostly over subtropical regions and the Amazon. Using land–atmosphere coupling experiments, we demonstrate that 63% of the seasonality reduction is driven by seasonally varying soil moisture (SM) feedbacks on P–E. Declining SM reduces evapotranspiration and modulates circulation to enhance moisture convergence and increase P–E in the dry season but not in the wet season. Our results underscore the importance of SM–atmosphere feedbacks for seasonal water availability changes in a warmer climate.
Lipid biosynthesis enzyme Agpat5 in AgRP-neurons is required for insulin-induced hypoglycemia sensing and glucagon secretion
Authors: Strembitska Anastasiya , Labouèbe Gwenaël , Picard Alexandre , Berney Xavier P. , Tarussio David , Jan Maxime , Thorens Bernard 
Published: September 2022

AbstractThe counterregulatory response to hypoglycemia that restores normal blood glucose levels is an essential physiological function. It is initiated, in large part, by incompletely characterized brain hypoglycemia sensing neurons that trigger the secretion of counterregulatory hormones, in particular glucagon, to stimulate hepatic glucose production. In a genetic screen of recombinant inbred BXD mice we previously identified Agpat5 as a candidate regulator of hypoglycemia-induced glucagon secretion. Here, using genetic mouse models, we demonstrate that Agpat5 expressed in agouti-related peptide neurons is required for their activation by hypoglycemia, for hypoglycemia-induced vagal nerve activity, and glucagon secretion. We find that inactivation of Agpat5 leads to increased fatty acid oxidation and ATP production and that suppressing Cpt1a-dependent fatty acid import into mitochondria restores hypoglycemia sensing. Collectively, our data show that AgRP neurons are involved in the control of glucagon secretion and that Agpat5, by partitioning fatty acyl-CoAs away from mitochondrial fatty acid oxidation and ATP generation, ensures that the fall in intracellular ATP, which triggers neuronal firing, faithfully reflects changes in glycemia.
Manipulation of time-dependent multicolour evolution of X-ray excited afterglow in lanthanide-doped fluoride nanoparticles
Authors: Lei Lei , Wang Yubin , Xu Weixin , Ye Renguang , Hua Youjie , Deng Degang , Chen Liang , Prasad Paras N. , Xu Shiqing 
Published: September 2022

AbstractExternal manipulation of emission colour is of significance for scientific research and applications, however, the general stimulus-responsive colour modulation method requires both stringent control of microstructures and continously adjustment of particular stimuli conditions. Here, we introduce pathways to manipulate the kinetics of time evolution of both intensity and spectral characteristics of X-ray excited afterglow (XEA) by regioselective doping of lanthanide activators in core-shell nanostructures. Our work reported here reveals the following phenomena: 1. The XEA intensities of multiple lanthanide activators are significantly enhanced via incorporating interstitial Na+ ions inside the nanocrystal structure. 2. The XEA intensities of activators exhibit diverse decay rates in the core and the shell and can largely be tuned separately, which enables us to realize a series of core@shell NPs featuring distinct time-dependent afterglow colour evolution. 3. A core/multi-shell NP structure can be designed to simultaneously generate afterglow, upconversion and downshifting to realize multimode time-dependent multicolour evolutions. These findings can promote the development of superior XEA and plentiful spectral manipulation, opening up a broad range of applications ranging from multiplexed biosensing, to high-capacity information encryption, to multidimensional displays and to multifunctional optoelectronic devices.
Digitally-enhanced lubricant evaluation scheme for hot stamping applications
Authors: Yang Xiao , Liu Heli , Dhawan Saksham , Politis Denis J. , Zhang Jie , Dini Daniele , Hu Lan , Gharbi Mohammad M. , Wang Liliang 
Published: September 2022

AbstractDigitally-enhanced technologies are set to transform every aspect of manufacturing. Networks of sensors that compute at the edge (streamlining information flow from devices and providing real-time local data analysis), and emerging Cloud Finite Element Analysis technologies yield data at unprecedented scales, both in terms of volume and precision, providing information on complex processes and systems that had previously been impractical. Cloud Finite Element Analysis technologies enable proactive data collection in a supply chain of, for example the metal forming industry, throughout the life cycle of a product or process, which presents revolutionary opportunities for the development and evaluation of digitally-enhanced lubricants, which requires a coherent research agenda involving the merging of tribological knowledge, manufacturing and data science. In the present study, data obtained from a vast number of experimentally verified finite element simulation results is used for a metal forming process to develop a digitally-enhanced lubricant evaluation approach, by precisely representing the tribological boundary conditions at the workpiece/tooling interface, i.e., complex loading conditions of contact pressures, sliding speeds and temperatures. The presented approach combines the implementation of digital characteristics of the target forming process, data-guided lubricant testing and mechanism-based accurate theoretical modelling, enabling the development of data-centric lubricant limit diagrams and intuitive and quantitative evaluation of the lubricant performance.
Theoretical insights on alleviating lattice-oxygen evolution by sulfur substitution in Li1.2Ni0.6Mn0.2O2 cathode material
Authors: Lin Kuan-Yu , Nachimuthu Santhanamoorthi , Huang Han-Wen , Jiang Jyh-Chiang 
Published: September 2022

AbstractHere, we demonstrate that the lattice oxygen release on the high-capacity cathode, Li1.2Ni0.6Mn0.2O2 (LNMO) surface can be successfully suppressed through S-anion-substitution using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations. The oxygen evolution mechanisms on pristine and sulfur (S)-substituted LNMO (003) surfaces in the presence of an electrolyte mixture are compared. Over-oxidation of O2− anions during delithiation in the pristine surface results in oxygen evolution and subsequent structural deformation. Whereas, in the S-substituted LNMO, S2− anions primarily participate in charge compensation and further inhibit oxygen evolution and O vacancy formation at high degrees of delithiation. Furthermore, the S-substitution effectively prevents the formation of Ni3+ ions and Jahn-Teller distortion, retaining the layered structure during delithiation. Our findings provide insight into improving the structural stability of the LNMO (003) surface, paving the way for developing Li-rich LNMO cathode materials for next-generation LIBs.
Machine actionable metadata models
Authors: Batista Dominique , Gonzalez-Beltran Alejandra , Sansone Susanna-Assunta , Rocca-Serra Philippe 
Published: September 2022

AbstractCommunity-developed minimum information checklists are designed to drive the rich and consistent reporting of metadata, underpinning the reproducibility and reuse of the data. These reporting guidelines, however, are usually in the form of narratives intended for human consumption. Modular and reusable machine-readable versions are also needed. Firstly, to provide the necessary quantitative and verifiable measures of the degree to which the metadata descriptors meet these community requirements, a requirement of the FAIR Principles. Secondly, to encourage the creation of standards-driven templates for metadata authoring, especially when describing complex experiments that require multiple reporting guidelines to be used in combination or extended. We present new functionalities to support the creation and improvements of machine-readable models. We apply the approach to an exemplar set of reporting guidelines in Life Science and discuss the challenges. Our work, targeted to developers of standards and those familiar with standards, promotes the concept of compositional metadata elements and encourages the creation of community-standards which are modular and interoperable from the onset.
Understanding the effect of irradiation temperature on microstructural evolution of 20MnMoNi55 steel
Authors: Srivastava A. P. , Sharma S. K. , Saini S. , Neogy S. , Ghosh S. K. , Kabiraj D. , Tewari R. 
Published: September 2022

AbstractIn this study, the effect of irradiation temperature on microstructural evolution of Indian RPV steel is reported. This study, by virtue of helium ion irradiation at 77, 300 and 573 K, could bring out the effect of the irradiation induced defects on microstructural and mechanical property changes at different stages of their existence starting from the state of cascade damage till the point of their free migration. Irradiation experiments were performed with varying ion energies to achieve nearly uniform irradiation damage of 0.05, 0.2 and 3 dpa in a ~ 300 nm wide region. Irradiated samples were characterized using GIXRD, PAS, TEM and nanoindentation. Unirradiated samples showed predominant presence of a combination of di- and tri-vacancy type of defects. Most of the dislocations present in unirradiated samples were screw dislocations, while mixed type was noticed upon irradiation irrespective of the irradiation temperature. PAS study showed formation of distinct defect types at different irradiation temperatures. TEM study confirmed formation of dislocation loops and defect clusters on irradiation. Higher irradiation temperatures resulted in the extension of the width of the damage region owing to increased migration of defects.