bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ketone α-alkylation at the more-hindered site
Authors: Li Ming-Ming , Zhang Tianze , Cheng Lei , Xiao Wei-Guo , Ma Jin-Tao , Xiao Li-Jun , Zhou Qi-Lin 
Published: June 2023

AbstractControl of the regioselectivity of α-alkylation of carbonyl compounds is a longstanding topic of research in organic chemistry. By using stoichiometric bulky strong bases and carefully adjusting the reaction conditions, selective alkylation of unsymmetrical ketones at less-hindered α-sites has been achieved. In contrast, selective alkylation of such ketones at more-hindered α-sites remains a persistent challenge. Here we report a nickel-catalysed alkylation of unsymmetrical ketones at the more-hindered α-sites with allylic alcohols. Our results indicate that the space-constrained nickel catalyst bearing a bulky biphenyl diphosphine ligand enables the preferential alkylation of the more-substituted enolate over the less-substituted enolate and reverses the conventional regioselectivity of ketone α-alkylation. The reactions proceed under neutral conditions in the absence of additives, and water is the only byproduct. The method has a broad substrate scope and permits late-stage modification of ketone-containing natural products and bioactive compounds.
Migratory allylic arylation of 1,n-enols enabled by nickel catalysis
Authors: Zhao Dan , Xu Bing , Zhu Can 
Published: June 2023

AbstractTransition-metal-catalyzed allylic substitution reactions (Tsuji−Trost reactions) proceeding via a π-allyl metal intermediate have been demonstrated as a powerful tool in synthetic chemistry. Herein, we disclose an unprecedented π-allyl metal species migration, walking on the carbon chain involving 1,4-hydride shift as confirmed by deuterium labeling experiments. This migratory allylic arylation can be realized under dual catalysis of nickel and lanthanide triflate, a Lewis acid. Olefin migration has been observed to preferentially occur with the substrate of 1,n-enols (n ≥ 3). The robust nature of the allylic substitution strategy is reflected by a broad scope of substrates with the control of regio- and stereoselectivity. DFT studies suggest that π-allyl metal species migration consists of the sequential β-H elimination and migratory insertion, with diene not being allowed to release from the metal center before producing a new π-allyl nickel species.
A probiotic bi-functional peptidoglycan hydrolase sheds NOD2 ligands to regulate gut homeostasis in female mice
Authors: Gao Jie , Wang Lei , Jiang Jing , Xu Qian , Zeng Nianyi , Lu Bingyun , Yuan Peibo , Sun Kai , Zhou Hongwei , He Xiaolong 
Published: June 2023

AbstractSecreted proteins are one of the direct molecular mechanisms by which microbiota influence the host, thus constituting a promising field for drug discovery. Here, through bioinformatics-guided screening of the secretome of clinically established probiotics from Lactobacillus, we identify an uncharacterized secreted protein (named LPH here) that is shared by most of these probiotic strains (8/10) and demonstrate that it protects female mice from colitis in multiple models. Functional studies show that LPH is a bi-functional peptidoglycan hydrolase with both N-Acetyl-β-D-muramidase and DL-endopeptidase activities that can generate muramyl dipeptide (MDP), a NOD2 ligand. Different active site mutants of LPH in combination with Nod2 knockout female mice confirm that LPH exerts anti-colitis effects through MDP-NOD2 signaling. Furthermore, we validate that LPH can also exert protective effects on inflammation-associated colorectal cancer in female mice. Our study reports a probiotic enzyme that enhances NOD2 signaling in vivo in female mice and describes a molecular mechanism that may contribute to the effects of traditional Lactobacillus probiotics.
CrRhAs: a member of a large family of metallic kagome antiferromagnets
Authors: Huang Y. N. , Jeschke Harald O. , Mazin Igor I. 
Published: June 2023

AbstractKagome lattice materials are an important platform for highly frustrated magnetism as well as for a plethora of phenomena resulting from flat bands, Dirac cones and van Hove singularities in their electronic structures. We study the little known metallic magnet CrRhAs, which belongs to a vast family of materials that includes 3d, 4f, and 5f magnetic elements, as well as numerous nonmagnetic metals and insulators. Using noncollinear spin density functional calculations (mostly spin spirals), we extract a model magnetic Hamiltonian for CrRhAs. While it is dominated by an antiferromagnetic second nearest neighbor coupling in the kagome plane, the metallic nature of the compound leads to numerous nonzero longer range couplings and to important ring exchange terms. We analyze this Hamiltonian and find unusual ground states which are dominated by nearly isolated antiferromagnetic triangles that adopt 120∘ order either with positive or with negative vector chirality. We discuss the connection to the few known experimental facts about CrRhAs. Finally, we give a brief survey of other interesting magnetic members of this family of kagome compounds.
A comprehensive mechanistic model of adipocyte signaling with layers of confidence
Authors: Lövfors William , Magnusson Rasmus , Jönsson Cecilia , Gustafsson Mika , Olofsson Charlotta S. , Cedersund Gunnar , Nyman Elin 
Published: June 2023

AbstractAdipocyte signaling, normally and in type 2 diabetes, is far from fully understood. We have earlier developed detailed dynamic mathematical models for several well-studied, partially overlapping, signaling pathways in adipocytes. Still, these models only cover a fraction of the total cellular response. For a broader coverage of the response, large-scale phosphoproteomic data and systems level knowledge on protein interactions are key. However, methods to combine detailed dynamic models with large-scale data, using information about the confidence of included interactions, are lacking. We have developed a method to first establish a core model by connecting existing models of adipocyte cellular signaling for: (1) lipolysis and fatty acid release, (2) glucose uptake, and (3) the release of adiponectin. Next, we use publicly available phosphoproteome data for the insulin response in adipocytes together with prior knowledge on protein interactions, to identify phosphosites downstream of the core model. In a parallel pairwise approach with low computation time, we test whether identified phosphosites can be added to the model. We iteratively collect accepted additions into layers and continue the search for phosphosites downstream of these added layers. For the first 30 layers with the highest confidence (311 added phosphosites), the model predicts independent data well (70–90% correct), and the predictive capability gradually decreases when we add layers of decreasing confidence. In total, 57 layers (3059 phosphosites) can be added to the model with predictive ability kept. Finally, our large-scale, layered model enables dynamic simulations of systems-wide alterations in adipocytes in type 2 diabetes.
The illusion of moral decline
Authors: Mastroianni Adam M. , Gilbert Daniel T. 
Published: June 2023

AbstractAnecdotal evidence indicates that people believe that morality is declining1,2. In a series of studies using both archival and original data (n = 12,492,983), we show that people in at least 60 nations around the world believe that morality is declining, that they have believed this for at least 70 years and that they attribute this decline both to the decreasing morality of individuals as they age and to the decreasing morality of successive generations. Next, we show that people’s reports of the morality of their contemporaries have not declined over time, suggesting that the perception of moral decline is an illusion. Finally, we show how a simple mechanism based on two well-established psychological phenomena (biased exposure to information and biased memory for information) can produce an illusion of moral decline, and we report studies that confirm two of its predictions about the circumstances under which the perception of moral decline is attenuated, eliminated or reversed (that is, when respondents are asked about the morality of people they know well or people who lived before the respondent was born). Together, our studies show that the perception of moral decline is pervasive, perdurable, unfounded and easily produced. This illusion has implications for research on the misallocation of scarce resources3, the underuse of social support4 and social influence5.
CORE: A Global Aggregation Service for Open Access Papers
Authors: Knoth Petr , Herrmannova Drahomira , Cancellieri Matteo , Anastasiou Lucas , Pontika Nancy , Pearce Samuel , Gyawali Bikash , Pride David 
Published: June 2023

AbstractThis paper introduces CORE, a widely used scholarly service, which provides access to the world’s largest collection of open access research publications, acquired from a global network of repositories and journals. CORE was created with the goal of enabling text and data mining of scientific literature and thus supporting scientific discovery, but it is now used in a wide range of use cases within higher education, industry, not-for-profit organisations, as well as by the general public. Through the provided services, CORE powers innovative use cases, such as plagiarism detection, in market-leading third-party organisations. CORE has played a pivotal role in the global move towards universal open access by making scientific knowledge more easily and freely discoverable. In this paper, we describe CORE’s continuously growing dataset and the motivation behind its creation, present the challenges associated with systematically gathering research papers from thousands of data providers worldwide at scale, and introduce the novel solutions that were developed to overcome these challenges. The paper then provides an in-depth discussion of the services and tools built on top of the aggregated data and finally examines several use cases that have leveraged the CORE dataset and services.
Coding and noncoding transcriptomes of NODULIN HOMEOBOX (NDX)-deficient Arabidopsis inflorescence
Authors: Feró Orsolya , Karányi Zsolt , Nagy Éva , Mosolygó-L Ágnes , Szaker Henrik Mihály , Csorba Tibor , Székvölgyi Lóránt 
Published: June 2023

AbstractArabidopsis NODULIN HOMEOBOX (NDX) is a plant-specific transcriptional regulator whose role in small RNA biogenesis and heterochromatin homeostasis has recently been described. Here we extend our previous transcriptomic analysis to the flowering stage of development. We performed mRNA-seq and small RNA-seq measurements on inflorescence samples of wild-type and ndx1-4 mutant (WiscDsLox344A04) Arabidopsis plants. We identified specific groups of differentially expressed genes and noncoding heterochromatic siRNA (hetsiRNA) loci/regions whose transcriptional activity was significantly changed in the absence of NDX. In addition, data obtained from inflorescence were compared with seedling transcriptomics data, which revealed development-specific changes in gene expression profiles. Overall, we provide a comprehensive data source on the coding and noncoding transcriptomes of NDX-deficient Arabidopsis flowers to serve as a basis for further research on NDX function.
1 km-resolution gridded dataset of phosphorus rate for rice wheat and maize in China over 2004–2016
Authors: Zhang Wenmeng , Zhang Tianyi , Yang Xiaoguang 
Published: June 2023

AbstractCrop-specific, high-resolution phosphorus rate information is essential for sustainable agricultural fertilizer management in China. However, substantial uncertainties exist in the current phosphorus fertilizer dataset because of only coarse national statistics used in dataset development and no crop-specific information provided. This study harmonized provincial and county-level phosphorus and component fertilizer statistics and crop distribution data to generate 1 km gridded maps of phosphorus rate for rice, wheat and maize in the years of 2004–2016 (CN-P). CN-P provides a comparable estimate on phosphorus rate for each crop over 2004–2016, and demonstrates an improved spatial heterogeneity. Existing dataset developed using national statistics tends to smooth out the variability within country and significantly underestimates actual phosphorus rate. CN-P shows that, during 2004–2016, wheat received the most phosphorus rate (8.7 g P2O5 m−2), while maize showed the rapidest increasing trend (2.36% yr−1). The CN-P dataset has the potential to be widely applied in modeling studies on sustainable agricultural fertilizer management strategies and phosphorus pollution.
An intra-annual 30-m dataset of small lakes of the Qilian Mountains for the period 1987–2020
Authors: Li Chao , Zhang Shiqiang , Zhang Dahong , Zhou Gang 
Published: June 2023

AbstractSmall lakes (areas between 0.01 km2 and 1 km2) on the Qinghai–Tibet Plateau (QTP) are prone to fluctuations in number and area, with serious implications for the surface water storage and water and carbon cycles of this fragile environment. However, there are no detailed long-term datasets of the small lakes of the QTP. Therefore, the intra-annual changes of small lakes in the Qilian Mountains region (QMR) in the northeastern part of the QTP were investigated. The small lake water bodies (SLWB) in the QMR were extracted by improving existing commonly used waterbody extraction algorithms. Using the Google Earth Engine platform and 13,297 Landsat TM/ETM + /OLI images, the SLWB of the QMR were extracted from 1987 to 2020 applying the improved algorithm, cross-validation and manual corrections. The reliability, uncertainty and limitations of the improved algorithm were discussed. An intra-annual small lake dataset for QMR (QMR-SLD) from 1987 to 2020 was released, containing eight attributes: code, perimeter (km), area (km2), latitude and longitude, elevation (m), area error, relative error (%), and subregion.
Identification of immune-related gene signature for predicting prognosis in uterine corpus endometrial carcinoma
Authors: Song Siyuan , Gu Haoqing , Li Jingzhan , Yang Peipei , Qi Xiafei , Liu Jiatong , Zhou Jiayu , Li Ye , Shu Peng 
Published: June 2023

AbstractThe objective of this study is to develop a gene signature related to the immune system that can be used to create personalized immunotherapy for Uterine Corpus Endometrial Carcinoma (UCEC). To classify the UCEC samples into different immune clusters, we utilized consensus clustering analysis. Additionally, immune correlation algorithms were employed to investigate the tumor immune microenvironment (TIME) in diverse clusters. To explore the biological function, we conducted GSEA analysis. Next, we developed a Nomogram by integrating a prognostic model with clinical features. Finally, we performed experimental validation in vitro to verify our prognostic risk model. In our study, we classified UCEC patients into three clusters using consensus clustering. We hypothesized that cluster C1 represents the immune inflammation type, cluster C2 represents the immune rejection type, and cluster C3 represents the immune desert type. The hub genes identified in the training cohort were primarily enriched in the MAPK signaling pathway, as well as the PD-L1 expression and PD-1 checkpoint pathway in cancer, all of which are immune-related pathways. Cluster C1 may be a more suitable for immunotherapy. The prognostic risk model showed a strong predictive ability. Our constructed risk model demonstrated a high level of accuracy in predicting the prognosis of UCEC, while also effectively reflecting the state of TIME.
The GET pathway is a major bottleneck for maintaining proteostasis in Saccharomyces cerevisiae
Authors: Josefson Rebecca , Kumar Navinder , Hao Xinxin , Liu Beidong , Nyström Thomas 
Published: June 2023

AbstractA hallmark of aging in a variety of organisms is a breakdown of proteostasis and an ensuing accumulation of protein aggregates and inclusions. However, it is not clear if the proteostasis network suffers from a uniform breakdown during aging or if some distinct components act as bottlenecks especially sensitive to functional decline. Here, we report on a genome-wide, unbiased, screen for single genes in young cells of budding yeast required to keep the proteome aggregate-free under non-stress conditions as a means to identify potential proteostasis bottlenecks. We found that the GET pathway, required for the insertion of tail-anchored (TA) membrane proteins in the endoplasmic reticulum, is such a bottleneck as single mutations in either GET3, GET2 or GET1 caused accumulation of cytosolic Hsp104- and mitochondria-associated aggregates in nearly all cells when growing at 30 °C (non-stress condition). Further, results generated by a second screen identifying proteins aggregating in GET mutants and analyzing the behavior of cytosolic reporters of misfolding, suggest that there is a general collapse in proteostasis in GET mutants that affects other proteins than TA proteins.
Correlation versus hybridization gap in CaMn$$_{2}$$Bi$$_{2}$$
Authors: Lane Christopher , Piva M. M. , Rosa P. F. S. , Zhu Jian-Xin 
Published: June 2023

AbstractWe study the interplay between electronic correlations and hybridization in the low-energy electronic structure of CaMn$$_2$$

2

Bi$$_2$$

2

, a candidate hybridization-gap semiconductor. By employing a DFT+U approach we find both the antiferromagnetic Néel order and band gap in good agreement with the corresponding experimental values. Under hydrostatic pressure, we find a crossover from hybridization gap to charge-transfer insulting physics due to the delicate balance of hybridization and correlations. Increasing the pressure above $$P_c=4$$

P
c

=
4

GPa we find a simultaneous pressure-induced volume collapse, plane-to-chain, insulator to metal transition. Finally, we have also analyzed the topology in the antiferromagnetic CaMn$$_2$$

2

Bi$$_2$$

2

for all pressures studied.
Analysis of navigational risk indicators as a function of the ship's domain width for the selected offshore wind farm in the Baltic Sea
Authors: Rutkowski Grzegorz , Kubacka Maria 
Published: June 2023

AbstractThis study concerns the analysis of navigational risk indicators as a function of the ship's domain width estimated for nine selected representative ships sailing under various hydrometeorological conditions (average and deteriorated ones) observed within the Offshore Wind Farm to be constructed within the Polish offshore zone on the Baltic Sea. For this purpose, the authors compare three types of domain parameters according to the guidelines by the PIANC, Coldwell and Rutkowski (3D). The study enabled selection of a group of ships which can be considered safe and can optionally be allowed to navigate and/or fish in the immediate vicinity and within the offshore wind farm. The analyses required the use of hydrometeorological data, mathematical models and operating data obtained with the use of maritime navigation and manoeuvring simulators.
Association of obesity, diabetes, and hypertension with arsenic in drinking water in the Comarca Lagunera province (north-central Mexico)
Authors: Sánchez-Rodríguez B. L. , Castillo-Maldonado I. , Pedroza-Escobar D. , Delgadillo-Guzmán D. , Soto-Jiménez M. F. 
Published: June 2023

AbstractChronic endemic regional hydroarsenicism (CERHA) is a global issue that affects over 200 million people exposed to arsenic (As) in drinking water. This includes 1.75 million individuals residing in La Comarca Lagunera, a region in north-central Mexico. Arsenic levels in this region typically exceeds the WHO guideline of 10 µg L−1. Biochemical alterations related to the human As metabolism may increase the risk of overweight and obesity (O&O), type 2 diabetes (T2D), and hypertension (AHT). In our study, we investigated the role of As in drinking water as a risk factor for these metabolic diseases. We focused on populations with historically moderate (San Pedro) and low (Lerdo) drinking water As levels and people with no historical evidence of As water contamination. The exposure assessment to As was based on measurements of the drinking water (medians 67.2, 21.0, 4.3 µg L−1) and urinary As concentrations in women (9.4, 5.3, 0.8 µg L−1) and men (18.1, 4.8, 1.0 µg L−1). A significant correlation between As in drinking water and urine evidenced the As exposure in the population (R2 = 0.72). Adjusted odds ratios with 95% confidence intervals evidenced higher chances of being diagnosed with T2D (1.7, 1.2–2.0) and AHT (1.8, 1.7–1.9) in individuals living in San Pedro than those in Lerdo. Still, there was no significant association with obesity. Individuals living in CERHA towns were found to have a higher risk of obesity (1.3–1.9), T2D (1.5 to 3.3), and AHT (1.4 to 2.4) compared to those residing in non-CERHA towns. Finally, obesity is more probable in women [inverse of OR and 95%CI 0.4 (0.2–0.7)] compared to men, while men is more likely to be diagnosed with T2D [OR = 2.0 (1.4–2.3)] and AHT [OR = 2.0 (1.5–2.3)] than women, independently of the municipality.
Overgrowth of long bone in rabbits by growth stimulation through metaphyseal hole creation
Authors: Lee Kyoung-Mi , Ko Eun Ae , Shah Mudit , Oh Seung Eun , Lee Jin Woo , Park Byoung Kyu , Kim Hyun Woo , Park Kun-Bo 
Published: June 2023

AbstractOvergrowth of long bones was noted in pediatric patients who underwent anterior cruciate ligament reconstruction. Hyperaemia during creating a metaphyseal hole and the microinstability made by the drill hole may induce overgrowth. This study aimed to determine whether metaphyseal hole creation accelerates growth and increases bone length and compare the effects of growth stimulation between metaphyseal hole creation and periosteal resection. We selected 7- to 8-week-old male New Zealand white rabbits. Periosteal resection (N = 7) and metaphyseal hole creation (N = 7) were performed on the tibiae of skeletally immature rabbits. Seven additional sham controls were included as age-matched controls. In the metaphyseal hole group, the hole was made using a Steinman pin at the same level of periosteal resection, and the cancellous bone beneath the physis was removed by curettage. The vacant space in the metaphysis below the physis was filled with bone wax. Tibiae were collected 6 weeks after surgery. The operated tibia was longer in the metaphyseal hole group (10.43 ± 0.29 cm vs. 10.65 ± 0.35 cm, P = 0.002). Overgrowth was higher in the metaphyseal hole group (3.17 ± 1.16 mm) than in the sham group (− 0.17 ± 0.39 mm, P < 0.001). The overgrowth in the metaphyseal hole group was comparable to that in the periosteal resection group (2.23 ± 1.52 mm, P = 0.287). In rabbits, metaphyseal hole creation and interposition with bone wax can stimulate long bone overgrowth, and the amount of overgrowth is similar to that seen in periosteal resection.