bluuebunny/crossref_metadata_2025_split huggingface dataset:
Decarboxylative stereoretentive C–N coupling by harnessing aminating reagent
Authors: Kweon Jeonguk , Park Bumsu , Kim Dongwook , Chang Sukbok 
Published: May 2024

AbstractIn recent decades, strategies involving transition-metal catalyzed carbon-carbon or carbon-heteroatom bond coupling have emerged as potent synthetic tools for constructing intricate molecular architectures. Among these, decarboxylative carbon-nitrogen bond formation using abundant carboxylic acids or their derivatives has garnered notable attention for accessing alkyl- or arylamines, one of key pharmacophores. While several decarboxylative amination methods have been developed, the involvement of a common carboradical intermediate currently poses challenges in achieving stereospecific transformation toward chiral alkylamines. Herein, we present a base-mediated, stereoretentive decarboxylative amidation by harnessing 1,4,2-dioxazol-5-one as a reactive and robust amidating reagent under transition-metal-free ambient conditions, encompassing all types of primary, secondary and tertiary carboxylic acids, thereby providing access to the important pharmacophore, α-chiral amines. This method exhibits high functional group tolerance, convenient scalability, and ease of applicability for 15N-isotope labeling, thus accentuating its synthetic utilities. Experimental and computational mechanistic investigations reveal a sequence of elementary steps: i) nucleophilic addition of carboxylate to dioxazolone, ii) rearrangement to form a dicarbonyl N-hydroxy intermediate, iii) conversion to hydroxamate, followed by a Lossen-type rearrangement, and finally, iv) reaction of the in situ generated isocyanate with carboxylate leading to C–N bond formation in a stereoretentive manner.
Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface
Authors: Birschitzky Viktor C. , Sokolović Igor , Prezzi Michael , Palotás Krisztián , Setvín Martin , Diebold Ulrike , Reticcioli Michele , Franchini Cesare 
Published: May 2024

AbstractThe multifaceted physics of oxides is shaped by their composition and the presence of defects, which are often accompanied by the formation of polarons. The simultaneous presence of polarons and defects, and their complex interactions, pose challenges for first-principles simulations and experimental techniques. In this study, we leverage machine learning and a first-principles database to analyze the distribution of surface oxygen vacancies (VO) and induced small polarons on rutile TiO2(110), effectively disentangling the interactions between polarons and defects. By combining neural-network supervised learning and simulated annealing, we elucidate the inhomogeneous VOdistribution observed in scanning probe microscopy (SPM). Our approach allows us to understand and predict defective surface patterns at enhanced length scales, identifying the specific role of individual types of defects. Specifically, surface-polaron-stabilizing VO-configurations are identified, which could have consequences for surface reactivity.
A hierarchical kidney outcome using win statistics in patients with heart failure from the DAPA-HF and DELIVER trials
Authors: Kondo Toru , Jhund Pardeep S. , Gasparyan Samvel B. , Yang Mingming , Claggett Brian L. , McCausland Finnian R. , Tolomeo Paolo , Vadagunathan Muthiah , Heerspink Hiddo J. L. , Solomon Scott D. , McMurray John J. V. 
Published: May 2024

AbstractWin statistics offer a new approach to the analysis of outcomes in clinical trials, allowing the combination of time-to-event and longitudinal measurements and taking into account the clinical importance of the components of composite outcomes, as well as their relative timing. We examined this approach in a post hoc analysis of two trials that compared dapagliflozin to placebo in patients with heart failure and reduced ejection fraction (DAPA-HF) and mildly reduced or preserved ejection fraction (DELIVER). The effect of dapagliflozin on a hierarchical composite kidney outcome was assessed, including the following: (1) all-cause mortality; (2) end-stage kidney disease; (3) a decline in estimated glomerular filtration rate (eGFR) of ≥57%; (4) a decline in eGFR of ≥50%; (5) a decline in eGFR of ≥40%; and (6) participant-level eGFR slope. For this outcome, the win ratio was 1.10 (95% confidence interval (CI) = 1.06–1.15) in the combined dataset, 1.08 (95% CI = 1.01–1.16) in the DAPA-HF trial and 1.12 (95% CI = 1.05–1.18) in the DELIVER trial; that is, dapagliflozin was superior to placebo in both trials. The benefits of treatment were consistent in participants with and without baseline kidney disease, and with and without type 2 diabetes. In heart failure trials, win statistics may provide the statistical power to evaluate the effect of treatments on kidney as well as cardiovascular outcomes.
A road surface reconstruction dataset for autonomous driving
Authors: Zhao Tong , Xie Yichen , Ding Mingyu , Yang Lei , Tomizuka Masayoshi , Wei Yintao 
Published: May 2024

AbstractRecent developments in intelligent robot systems, especially autonomous vehicles, put forward higher requirements for safety and comfort. Road conditions are crucial factors affecting the comprehensive performance of ground vehicles. Nonetheless, existing environment perception datasets for autonomous driving lack attention to road surface areas. In this paper, we introduce the road surface reconstruction dataset, providing multi-modal, high-resolution, and high-precision data collected by real-vehicle platform in diverse driving conditions. It covers common road types containing approximately 16,000 pairs of stereo images, point clouds, and ground-truth depth/disparity maps, with accurate data processing pipelines to ensure its quality. Preliminary evaluations reveal the effectiveness of our dataset and the challenge of the task, underscoring substantial opportunities of it as a valuable resource for advancing computer vision techniques. The reconstructed road structure and texture contribute to the analysis and prediction of vehicle responses for motion planning and control systems.
Laboratory parameters related to disease severity and physical performance after reconvalescence of acute COVID-19 infection
Authors: Gietl Mario , Burkert Francesco , Hofer Stefanie , Gostner Johanna M. , Sonnweber Thomas , Tancevski Ivan , Pizzini Alex , Sahanic Sabina , Schroll Andrea , Brigo Natascha , Egger Alexander , Bellmann-Weiler Rosa , Löffler-Ragg Judith , Weiss Günter , Kurz Katharina 
Published: May 2024

AbstractResearch into the molecular basis of disease trajectory and Long-COVID is important to get insights toward underlying pathophysiological processes. The objective of this study was to investigate inflammation-mediated changes of metabolism in patients with acute COVID-19 infection and throughout a one-year follow up period. The study enrolled 34 patients with moderate to severe COVID-19 infection admitted to the University Clinic of Innsbruck in early 2020. The dynamics of multiple laboratory parameters (including inflammatory markers [C-reactive protein (CRP), interleukin-6 (IL-6), neopterin] as well as amino acids [tryptophan (Trp), phenylalanine (Phe) and tyrosine (Tyr)], and parameters of iron and vitamin B metabolism) was related to disease severity and patients’ physical performance. Also, symptom load during acute illness and at approximately 60 days (FU1), and one year after symptom onset (FU2) were monitored and related with changes of the investigated laboratory parameters: During acute infection many investigated laboratory parameters were elevated (e.g., inflammatory markers, ferritin, kynurenine, phenylalanine) and enhanced tryptophan catabolism and phenylalanine accumulation were found. At FU2 nearly all laboratory markers had declined back to reference ranges. However, kynurenine/tryptophan ratio (Kyn/Trp) and the phenylalanine/tyrosine ratio (Phe/Tyr) were still exceeding the 95th percentile of healthy controls in about two thirds of our cohort at FU2. Lower tryptophan concentrations were associated with B vitamin availability (during acute infection and at FU1), patients with lower vitamin B12 levels at FU1 had a prolonged and more severe impairment of their physical functioning ability. Patients who had fully recovered (ECOG 0) presented with higher concentrations of iron parameters (ferritin, hepcidin, transferrin) and amino acids (phenylalanine, tyrosine) at FU2 compared to patients with restricted ability to work. Persistent symptoms at FU2 were tendentially associated with IFN-γ related parameters. Women were affected by long-term symptoms more frequently. Conclusively, inflammation-mediated biochemical changes appear to be related to symptoms of patients with acute and Long Covid.
Determining sea-level rise in the Caribbean: A shift from temperature to mass control
Authors: Maitland Deron O. , Richter Kristin , Raj Roshin P. , Bonaduce Antonio , Nisancioglu Kerim H. , Taylor Michael A. , Stephenson Tannecia S. 
Published: May 2024

AbstractTropical Small Island Developing States (SIDS), such as those in the Caribbean, are among the most vulnerable to the impacts of climate change, most notably sea-level rise. The current sea-level rise in the Caribbean is 3.40 ± 0.3 mm/year (1993–2019), which is similar to the 3.25 ± 0.4 mm/year global mean sea-level (GMSL) rise (1993–2018). Throughout the year, Caribbean seasonal sea-level variability is found to respond to sea surface temperature variability. Over the past few decades, the trend in Caribbean Sea-level rise is also found to be variable. Satellite altimetry and steric sea-level records of the Caribbean region reveal a shift in the late 2003-early 2004, which separates two distinct periods of sea-level rise. Thermal expansion dominates the sea-level trend from 1993–2003. Following this period, there is an increased trend in sea-level rise, with a dominance of mass changes from 2004–2019, as confirmed by GRACE data. During this period, the sea-level trend is 6.15 ± 0.5 mm/year, which is 67% faster than the most recent estimates of global mean sea-level rise provided by the Intergovernmental Panel on Climate Change (3.69 ± 0.5 mm/year for the period 2006–2018). Despite its reduced importance, increasing temperatures contribute greatly to sea-level rise in the Caribbean region through thermal expansion of ocean water, hence there is a need to limit the current trend of global warming.
Effective small crack detection based on tunnel crack characteristics and an anchor-free convolutional neural network
Authors: Wang Li , Tang Chao 
Published: May 2024

AbstractTunnel cracks are thin and narrow linear targets, and their pixel proportions in images are usually very low, less than 6%; therefore, a method is needed to better detect small crack targets. In this study, a crack detection method based on crack characteristics and an anchor-free framework is investigated. First, the characteristics of cracks are analyzed to obtain the real crack texture, interference noise texture, and targets appearing near each crack as the context information for the model to filter and remove noise. We discuss the crack detection performance of anchor-based and anchor-free algorithms. Then, an optimized anchor-free algorithm is proposed in this paper for crack detection. Based on the advantages of YOLOX-x, we add a semantic enhancement module to better use contextual information. The experimental results show that the anchor-free algorithm performs slightly better than other algorithms in crack detection situations. In addition, the proposed method displays better detection performance for slender and inconspicuous cracks, with an average precision of 0.858.
2D signal estimation for sparse distributed target photon counting data
Authors: Hayman Matthew , Stillwell Robert A. , Carnes Josh , Kirchhoff Grant J. , Spuler Scott M. , Thayer Jeffrey P. 
Published: May 2024

AbstractIn this study, we explore the utilization of penalized likelihood estimation for the analysis of sparse photon counting data obtained from distributed target lidar systems. Specifically, we adapt the Poisson Total Variation processing technique to cater to this application. By assuming a Poisson noise model for the photon count observations, our approach yields denoised estimates of backscatter photon flux and related parameters. This facilitates the processing of raw photon counting signals with exceptionally high temporal and range resolutions (demonstrated here to 50 Hz and 75 cm resolutions), including data acquired through time-correlated single photon counting, without significant sacrifice of resolution. Through examination involving both simulated and real-world 2D atmospheric data, our method consistently demonstrates superior accuracy in signal recovery compared to the conventional histogram-based approach commonly employed in distributed target lidar applications.
A Japanese herbal medicine (kampo), hochuekkito (TJ-41), has anti-inflammatory effects on the chronic obstructive pulmonary disease mouse model
Authors: Yuki Masaaki , Ishimori Taro , Kono Shiho , Nagoshi Saki , Saito Minako , Isago Hideaki , Tamiya Hiroyuki , Fukuda Kensuke , Miyashita Naoya , Ishii Takashi , Matsuzaki Hirotaka , Hiraishi Yoshihisa , Saito Akira , Jo Taisuke , Nagase Takahide , Mitani Akihisa 
Published: May 2024

AbstractChronic obstructive pulmonary disease (COPD) is a progressive disease that is characterized by chronic airway inflammation. A Japanese herbal medicine, hochuekkito (TJ-41), is prominently used for chronic inflammatory diseases in Japan. This study aimed to analyze the anti-inflammatory effect of TJ-41 in vivo and its underlying mechanisms. We created a COPD mouse model using intratracheal administration of porcine pancreatic elastase and lipopolysaccharide (LPS) and analyzed them with and without TJ-41 administration. A TJ-41-containing diet reduced inflammatory cell infiltration of the lungs in the acute and chronic phases and body weight loss in the acute phase. In vitro experiments revealed that TJ-41 treatment suppressed the LPS-induced inflammatory cytokines in BEAS-2B cells. Furthermore, TJ-41 administration activated the AMP-activated protein kinase (AMPK) pathway and inhibited the mechanistic target of the rapamycin (mTOR) pathway, both in cellular and mouse experiments. We concluded that TJ-41 administration reduced airway inflammation in the COPD mouse model, which might be regulated by the activated AMPK pathway, and inhibited the mTOR pathway.
Handgrip strength is associated with cognitive function in older patients with stage 3-5 chronic kidney disease: results from the NHANES
Authors: Zhang Jialing , Wang Peixin , Pang Qi , Wang Shiyuan , Zhang Aihua 
Published: May 2024

AbstractIn this study, we aimed to investigate the association between handgrip strength (HGS) and cognitive performance in stage 3-5 chronic kidney disease (CKD) patients aged ≥ 60 years. This cross-sectional study analyzed data from National Health and Nutrition Examination Survey (NHANES) database 2011–2014. Three tests were used to assess the cognitive performance, including consortium to establish a registry for Alzheimer’s disease (CERAD), animal fluency test (AFT), and digit symbol substitution test (DSST). The multivariate linear regression analyses adjusting for confounding factors were utilized to evaluate the association of HGS with cognitive performance. A total of 678 older stage 3-5 CKD patients were included in this study. After adjusting for multiple factors, a higher HGS was positively associated with a higher CERAD-delayed recall and DSST score. In addition, our analysis indicated that HGS probably correlated with better performance of immediate learning ability in male, while working memory, sustained attention, and processing speed in female. HGS may be an important indicator for cognitive deficits in stage 3-5 CKD patients, especially for learning ability and executive function. Further research to explore the sex-specific and domain-specific and possible mechanisms are required.
A stochastic approach for co-evolution process of virus and human immune system
Authors: Ain Qura Tul , Shen Jiahao , Xu Peng , Qiang Xiaoli , Kou Zheng 
Published: May 2024

AbstractInfectious diseases have long been a shaping force in human history, necessitating a comprehensive understanding of their dynamics. This study introduces a co-evolution model that integrates both epidemiological and evolutionary dynamics. Utilizing a system of differential equations, the model represents the interactions among susceptible, infected, and recovered populations for both ancestral and evolved viral strains. Methodologically rigorous, the model’s existence and uniqueness have been verified, and it accommodates both deterministic and stochastic cases. A myriad of graphical techniques have been employed to elucidate the model’s dynamics. Beyond its theoretical contributions, this model serves as a critical instrument for public health strategy, particularly predicting future outbreaks in scenarios where viral mutations compromise existing interventions.
Aggregation of human osteoblasts unlocks self-reliant differentiation and constitutes a microenvironment for 3D-co-cultivation with other bone marrow cells
Authors: Marozin Sabrina , Simon-Nobbe Birgit , Huth Astrid , Beyerer Evelyn , Weber Laurenz , Nüssler Andreas , Lepperdinger Günter 
Published: May 2024

AbstractSkeletal bone function relies on both cells and cellular niches, which, when combined, provide guiding cues for the control of differentiation and remodeling processes. Here, we propose an in vitro 3D model based on human fetal osteoblasts, which eases the study of osteocyte commitment in vitro and thus provides a means to examine the influences of biomaterials, substances or cells on the regulation of these processes. Aggregates were formed from human fetal osteoblasts (hFOB1.19) and cultivated under proliferative, adipo- and osteoinductive conditions. When cultivated under osteoinductive conditions, the vitality of the aggregates was compromised, the expression levels of the mineralization-related gene DMP1 and the amount of calcification and matrix deposition were lower, and the growth of the spheroids stalled. However, within spheres under growth conditions without specific supplements, self-organization processes occur, which promote extracellular calcium deposition, and osteocyte-like cells develop. Long-term cultivated hFOB aggregates were free of necrotic areas. Moreover, hFOB aggregates cultivated under standard proliferative conditions supported the co-cultivation of human monocytes, microvascular endothelial cells and stromal cells. Overall, the model presented here comprises a self-organizing and easily accessible 3D osteoblast model for studying bone marrow formation and in vitro remodeling and thus provides a means to test druggable molecular pathways with the potential to promote life-long bone formation and remodeling.
Detection of clonal plasma cells in POEMS syndrome using multiparameter flow cytometry
Authors: Ishii Arata , Tsukamoto Shokichi , Mimura Naoya , Miyamoto-Nagai Yurie , Isshiki Yusuke , Matsui Shinichiro , Nakao Sanshiro , Shibamiya Asuka , Hino Yutaro , Kayamori Kensuke , Oshima-Hasegawa Nagisa , Muto Tomoya , Takeda Yusuke , Suichi Tomoki , Misawa Sonoko , Ohwada Chikako , Yokote Koutaro , Kuwabara Satoshi , Nakaseko Chiaki , Takamatsu Hiroyuki , Sakaida Emiko 
Published: May 2024

AbstractPOEMS syndrome (polyneuropathy, organomegaly, endocrinopathy, monoclonal protein [M-protein], and skin changes) is a rare systemic disorder characterized by various symptoms caused by underlying plasma cell (PC) dyscrasia. Detection of monoclonal PCs is mandatory for the diagnosis of POEMS syndrome; however, the usefulness of EuroFlow-based next-generation flow cytometry (EuroFlow-NGF) in POEMS syndrome for detecting monoclonal PCs in bone marrow (BM) and the gating strategy suitable for flow cytometry study of POEMS syndrome remain unknown. We employed EuroFlow-NGF-based single-tube eight-color multiparameter flow cytometry (MM-flow) and established a new gating strategy (POEMS-flow) to detect the monoclonal PCs in POEMS syndrome, gating CD38 broadly from dim to bright and CD45 narrowly from negative to dim compared to MM-flow. MM-flow detected monoclonal PCs in 9/25 (36.0%) cases, including 2/2 immunofixation electrophoresis (IFE)-negative cases (100%). However, POEMS-flow detected monoclonal PCs in 18/25 cases (72.0%), including 2/2 IFE-negative cases (100%). POEMS-flow detected monoclonal PCs with immunophenotypes of CD19− in 17/18 (94.4%). In six cases where post-treatment samples were available, the size of the clones was significantly reduced after the treatment (P = 0.031). POEMS-flow can enhance the identification rate of monoclonal PCs in POEMS syndrome and become a valuable tool for the diagnosis of POEMS syndrome.
The use of stem cells in the treatment of mastitis in dairy cows
Authors: Pokorska Joanna , Sawicki Sebastian , Gabryś Julia , Kułaj Dominika , Bauer Edyta Agnieszka , Lenart-Boroń Anna , Bulanda Klaudia , Kuchta-Gładysz Marta , Grzesiakowska Anna , Kemilew Jerzy , Barton Patryk Mikołaj , Lasek Olga , Bugno-Poniewierska Monika 
Published: May 2024

AbstractMastitis is a multifactorial inflammatory disease. The increase in antibiotic resistance of bacteria that cause mastitis means that cattle breeders would prefer to reduce the use of antibiotics. Recently, therapies using mesenchymal stem cells (MSCs) from various sources have gained significant interest in the development of regenerative medicine in humans and animals, due to their extraordinary range of properties and functions. The aim of this study was to analyze the effectiveness of an allogeneic stem cells derived from bone marrow (BMSC) and adipose tissue (ADSC) in treating mastitis in dairy cattle. The research material consisted of milk and blood samples collected from 39 Polish Holstein-Friesian cows, 36 of which were classified as having mastitis, based on cytological evaluation of their milk. The experimental group was divided into subgroups according to the method of MSC administration: intravenous, intramammary, and intravenous + intramammary, and according to the allogeneic stem cells administered: BMSC and ADSC. The research material was collected at several time intervals: before the administration of stem cells, after 24 and 72 h, and after 7 days. Blood samples were collected to assess hematological parameters and the level of pro-inflammatory cytokines, while the milk samples were used for microbiological assessment and to determine the somatic cells count (SCC). The administration of allogeneic MSCs resulted in a reduction in the total number of bacterial cells, Staphylococcus aureus, bacteria from the Enterobacteriaceae group, and a systematic decrease in SCC in milk. The therapeutic effect was achieved via intravenous + intramammary or intramammary administration.