bluuebunny/crossref_metadata_2025_split huggingface dataset:
The solubility of oxygen in water and saline solutions
Authors: Bok F. , Moog H. C. , Brendler V. 
Published: April 2023

Oxygen is one of the key reaction partners for many redox reactions also in the context of nuclear waste disposal. Its solubility influences radionuclides’ behavior, corrosion processes and even microbial activity. Therefore, a reliable calculation of the solubility of molecular oxygen in aqueous solutions is relevant for any safety assessment. Available geochemical speciation and reactive transport programs handle these data very differently. In some codes, the hypothetical equilibrium between dissolved oxygen and water is used to balance redox reactions. Equilibrium constants are given in “temperature grids” for up to 573.15 K. In other cases, temperature functions for the solubility of gaseous oxygen in water are given, without any reference to a valid temperature range. These settings become even more complicated when used in the context of modeling equilibria in high-saline solutions applying the Pitzer formalism. This raised the question about the experimental foundation of equilibrium constants given in such data files and their validity for the solubility of molecular oxygen in saline solutions. For this article, a thorough literature review was conducted with respect to the solubility of molecular oxygen in pure water and saline solutions. From these primary experimental O2 solubility data a temperature-dependent Henry’s law function as well as temperature-dependent binary and ternary Pitzer ion-interaction coefficients were derived. An internally consistent set of thermodynamic data for dissolved oxygen is presented, along with statements about its validity in terms of temperature and, as far as Pitzer interaction coefficients are concerned, of solution composition. This self-consistent activity-fugacity model containing thermodynamic data, Henry’s law temperature equation, and Pitzer interaction coefficients is capable of providing a more accurate description of redox transformations, allowing a reduction of conservatism in safety assessment calculations, not only in the context of a nuclear repository. The model reproduces well the reliable experimental data available, and is capable to predict the oxygen solubility in complex solution media. The temperature functions used to describe Henry’s constant and the Pitzer interaction coefficients are consistent with the implementation in commonly used geochemical computational programs, allowing direct use without further modification.
Effect of physiological pH on the molecular characteristics, rheological behavior, and molecular dynamics of κ-carrageenan/casein
Authors: Guo Juanjuan , Zhu Siliang , Chen Peilin , Liu Zhiyu , Lin Luan , Zhang Jie 
Published: April 2023

IntroductionDuring gastrointestinal digestion, κ-carrageenan (κ-CGN) undergoes physicochemical changes, which associated with the risk of colitis.MethodsTo understand the effect of physiological pH on the conformational transition and binding stability of κ-CGN and κ-carrageenan/casein (κ-CC), we conducted experiments at pH 3.0 (gastric environment) and pH 7.0 (intestinal environment). We evaluated zeta potential, free sulfate group content, Fourier transform infrared spectroscopy, thermodynamic properties, microstructure, and molecular mechanism.Results and DiscussionOur results revealed that the helical conformation of κ-CGN and κ-CC were more ordered and stable, and sulfate group exposure both lower in the intestinal environment (pH 7.0). However, in gastric environment (pH 3.0), the charge density of κ-CGN decreased, accompanied by random curling conformation and free sulfate group content increased. In contrast, the intermolecular interactions between κ-CGN and casein increased in gastric acid environments due to casein flocculation and secondary structure folding, and significantly reduced the exposure of free sulfate groups of κ-CGN. Our research results provide an important theoretical basis for elucidating the molecular mechanism and structure-activity relationship of κ-CGN under casein matrix to protect the mucosal barrier and inhibit colitis, and are of great significance for guiding and expanding the safe application of κ-CGN, thus assisting food nutrition to be absorbed.
Nutritional deficiencies in low-sociodemographic-index countries: a population-based study
Authors: Li Huansong , Ren Huiming , Guo Xu , Chen Zhu 
Published: April 2023

BackgroundWe aimed to estimate the burden of nutritional deficiency according to sex and age in countries with a low sociodemographic index (SDI).MethodsFollowing the methods of the Global Burden of Diseases, Injuries, and Risk Factors Study 2019, estimated annual percentage changes (EAPCs) were calculated to determine trends in the age-standardized rates of incidence and disability-adjusted life-years (DALYs) of nutritional deficiency and its main subcategories from 1990 to 2019 in low-SDI countries.FindingsFrom 1990 to 2019, the age-standardized incidence and DALY rates of nutritional deficiency showed decreasing trends, with EAPCs of −0.90 [95% confidence interval (CI), 1.06 to −0.75] and −3.20 (95% CI, −3.29 to −3.10), respectively, in low-SDI countries. In 2019, of the subcategories analyzed, vitamin A deficiency had the highest age-standardized incidence rate and protein–energy malnutrition had the highest age-standardized DALY rate. From 1990 to 2019, the greatest decrease in the age-standardized incidence rate was observed for vitamin A deficiency and the greatest decrease in the age-standardized DALY rate was observed for protein–energy malnutrition. At the national level, from 1990 to 2019, the greatest increase in the age-standardized incidence rate of overall nutritional deficiency was observed in males in Afghanistan (EAPC: 0.28; 95% CI, 0.07 to 0.49). Of the age groups analyzed, the highest incidence and DALY rates of overall nutritional deficiency and dietary iron deficiency were observed in children aged 1–4 years.InterpretationThe age-standardized incidence and DALY rates of nutritional deficiency decreased significantly from 1990 to 2019, especially for vitamin A deficiency and protein–energy malnutrition. Overall nutritional deficiency and dietary iron deficiency occurred primarily in children aged 1–4 years.
Spatial transcriptomics reveals the heterogeneity and FGG+CRP+ inflammatory cancer-associated fibroblasts replace islets in pancreatic ductal adenocarcinoma
Authors: Ren Zhangyong , Pan Bing , Wang Fangfei , Lyu Shaocheng , Zhai Jialei , Hu Xiumei , Liu Zhe , Li Lixin , Lang Ren , He Qiang , Zhao Xin 
Published: April 2023

BackgroundUnderstanding the spatial heterogeneity of the tumor microenvironment (TME) in pancreatic cancer (PC) remains challenging.MethodsIn this study, we performed spatial transcriptomics (ST) to investigate the gene expression features across one normal pancreatic tissue, PC tissue, adjacent tumor tissue, and tumor stroma. We divided 18,075 spatial spots into 22 clusters with t-distributed stochastic neighbor embedding based on gene expression profiles. The biological functions and signaling pathways involved in each cluster were analyzed with gene set enrichment analysis.ResultsThe results revealed that KRT13+FABP5+ malignant cell subpopulation had keratinization characteristics in the tumor tissue. Fibroblasts from adjacent tumor tissue exhibited a tumor-inhibiting role such as “B-cell activation” and “positive regulation of leukocyte activation.” The FGG+CRP+ inflammatory cancer-associated fibroblasts replaced the islets in tumor stroma. During PC progression, the damage to pancreatic structure and function was heavier in the pancreatic exocrine (AMYA2+PRSS1+) than in the endocrine (INS+GCG+).ConclusionOur results revealed the spatial heterogeneity of dynamic changes and highlighted the significance of impaired exocrine function in PC.
Body mass index and baseline platelet count as predictive factors in Merkel cell carcinoma patients treated with avelumab
Authors: Incorvaia Lorena , Dimino Alessandra , Algeri Laura , Brando Chiara , Magrin Luigi , De Luca Ida , Pedone Erika , Perez Alessandro , Sciacchitano Roberta , Bonasera Annalisa , Bazan Russo Tancredi Didier , Li Pomi Federica , Peri Marta , Gristina Valerio , Galvano Antonio , Giuffrida Dario , Fazio Ivan , Toia Francesca , Cordova Adriana , Florena Ada Maria , Giordano Antonio , Bazan Viviana , Russo Antonio , Badalamenti Giuseppe 
Published: April 2023

BackgroundMerkel cell carcinoma (MCC) is a rare and aggressive skin cancer, associated with a worse prognosis. The Immune Checkpoint Inhibitors (ICIs) avelumab and pembrolizumab have been recently approved as first-line treatment in metastatic MCC (mMCC). The clinical observation of improved outcomes in obese patients following treatment with ICIs, known as the “obesity paradox”, has been studied across many types of tumors. Probably due to the rarity of this tumor, data on mMMC patients are lacking.Patients and methodsThis is an observational, hospital-based, study to investigate the role of Body Mass Index (BMI) as predictive biomarker of ICI response in mMCC patients treated with avelumab as first-line treatment. The study population included the patients treated from February 2019 to October 2022 in an Italian referral center for rare tumors. Clinico-pathological characteristics, BMI, laboratory parameters (NLR and platelet count), and response to avelumab were analyzed from a MCC System database prospectively collected.ResultsThirty-two (32) patients were included. Notably, the presence of pre-treatment BMI ≥ 30 was significantly associated with longer PFS [BMI &lt; 30 Group: median PFS, 4 months (95% CI: 2.5-5.4); BMI ≥ 30 Group: median PFS, not reached; p&lt;0.001)[. Additionally, the median PFS was significantly higher in patients with higher PLT (median PFS: 10 months in the “low PLT” Group (95% CI: 4.9, 16.1) vs 33 months (95% CI: 24.3, 43.2) in the “high PLT” Group (p=0.006). The multivariable Cox regression model confirmed these results.ConclusionTo our knowledge, this is the first study that investigates the predictive role of BMI in MCC patients. Our data were consistent with the clinical observation of improved outcomes in obese patients across other tumor types. Thus, advanced age, a weakened immune system, and the obesity-associated “inflammaging”, are key factors that could impact the cancer immune responses of mMCC patients.
Clinical features and molecular genetics associated with brain metastasis in suspected early-stage non-small cell lung cancer
Authors: Kim Kangjoon , Lee Jibeom , Lee Jeong-Yun , Yong Seung Hyun , Kim Eun Young , Jung Ji Ye , Kang Young Ae , Park Moo Suk , Kim Young Sam , Oh Chang-Myung , Lee Sang Hoon 
Published: April 2023

IntroductionRegarding whether brain magnetic resonance imaging (MRI) should be routine in patients with suspected early-stage lung cancer, guideline recommendations are inconsistent. Therefore, we performed this study to evaluate the incidence of and risk factors for brain metastasis (BM) in patients with suspected early-stage non-small-cell lung cancer (NSCLC).MethodsA review of the medical charts of consecutive NSCLC patients diagnosed between January 2006 and May 2020 was performed. We identified 1,382 NSCLC patients with clinical staging of T1/2aN0M0 (excluding BM), and investigated the incidence, clinical predictors, and prognosis of BM in the cohort. We also performed RNA-sequencing differential expression analysis using transcriptome of 8 patients, using DESeq2 package (version 1.32.0) with R (version 4.1.0).ResultsAmong 1,382 patients, nine hundred forty-nine patients (68.7%) underwent brain MRI during staging, and 34 patients (3.6%) were shown to have BM. Firth’s bias-reduced logistic regression showed that tumor size (OR 1.056; 95% CI 1.009-1.106, p=0.018) was the only predictor of BM, and pathologic type was not a predictor of BM in our cohort (p&gt;0.05). The median overall survival for patients with brain metastasis was 5.5 years, which is better than previously reported in the literature. RNA-sequencing differential expression analysis revealed the top 10 significantly upregulated genes and top 10 significantly downregulated genes. Among the genes involved in BM, Unc-79 homolog, non-selective sodium leak channel (NALCN) channel complex subunit (UNC79) was the most highly expressed gene in the lung adenocarcinoma tissues from the BM group, and an in vitro assay using A549 cells revealed that the NALCN inhibitor suppressed lung cancer cell proliferation and migration.ConclusionsGiven the incidence and favorable outcome of BM in patients with suspected early-stage NSCLC, selective screening with brain MRI may be considered, especially in patients with high-risk features.
Pediatricians’ experiences of managing outpatient care during the COVID-19 pandemic: A qualitative study in Germany
Authors: von Sommoggy Julia , Grepmeier Eva-Maria , Apfelbacher Christian , Brandstetter Susanne , Curbach Janina 
Published: April 2023

BackgroundPediatricians are important sources of information for parents regarding their children's health. During the COVID-19 pandemic, pediatricians faced a variety of challenges regarding information uptake and transfer to patients, practice organization and consultations for families. This qualitative study aimed at shedding light on German pediatricians’ experiences of providing outpatient care during the first year of the pandemic.MethodsWe conducted 19 semi-structured, in-depth interviews with pediatricians in Germany from July 2020 to February 2021. All interviews were audio recorded, transcribed, pseudonymized, coded, and subjected to content analysis.ResultsPediatricians felt able to keep up to date regarding COVID-19 regulations. However, staying informed was time consuming and onerous. Informing the patients was perceived as strenuous, especially when political decisions had not been officially communicated to pediatricians or if the recommendations were not supported by the professional judgment of the interviewees. Some felt that they were not taken seriously or adequately involved in political decisions. Parents were reported to consider pediatric practices as sources of information also for non-medical inquiries. Answering these questions was time consuming for the practice personnel and involved non-billable hours. Practices had to adapt their set-up and organization immediately to the new circumstances of the pandemic, which proved costly and laborious as well. Some changes in the organization of routine care, such as the separation of appointments for patients with acute infection from preventive appointments, were perceived as positive and effective by some study participants. Telephone and online consultations were established at the beginning of the pandemic and considered helpful for some situations, whereas for others these methods were deemed insufficient (e.g. for examinations of sick children). All pediatricians reported reduced utilization mainly due to a decline in acute infections. However, preventive medical check-ups and immunization appointments were reported to be mostly attended.ConclusionPositive experiences of reorganizing pediatric practice should be disseminated as “best practices” in order to improve future pediatric health services. Further research could show how some of these positive experiences in reorganizing care during the pandemic are to be maintained by pediatricians in the future.
Predicting respiratory decompensation in mechanically ventilated adult ICU patients
Authors: Tan Yvette , Young Michael , Girish Akanksha , Hu Beini , Kurian Zina , Greenstein Joseph L. , Kim Han , Winslow Raimond L , Fackler James , Bergmann Jules 
Published: April 2023

Introduction: Mechanical ventilation is a life-saving treatment in the Intensive Care Unit (ICU), but often causes patients to be at risk of further respiratory complication. We created a statistical model utilizing electronic health record and physiologic vitals data to predict the Center for Disease Control and Prevention (CDC) defined Ventilator Associated Complications (VACs). Further, we evaluated the effect of data temporal resolution and feature generation method choice on the accuracy of such a constructed model.Methods: We constructed a random forest model to predict occurrence of VACs using health records and chart events from adult patients in the Medical Information Mart for Intensive Care III (MIMIC-III) database. We trained the machine learning models on two patient populations of 1921 and 464 based on low and high frequency data availability. Model features were generated using both basic statistical summaries and tsfresh, a python library that generates a large number of derived time-series features. Classification to determine whether a patient will experience VAC one hour after 35 h of ventilation was performed using a random forest classifier. Two different sample spaces conditioned on five varying feature extraction techniques were evaluated to identify the most optimal selection of features resulting in the best VAC discrimination. Each dataset was assessed using K-folds cross-validation (k = 10), giving average area under the receiver operating characteristic curves (AUROCs) and accuracies.Results: After feature selection, hyperparameter tuning, and feature extraction, the best performing model used automatically generated features on high frequency data and achieved an average AUROC of 0.83 ± 0.11 and an average accuracy of 0.69 ± 0.10.Discussion: Results show the potential viability of predicting VACs using machine learning, and indicate that higher-resolution data and the larger feature set generated by tsfresh yield better AUROCs compared to lower-resolution data and manual statistical features.
Exogenous 24-epibrassinolide promoted growth and nitrogen absorption and assimilation efficiency of apple seedlings under salt stress
Authors: Yu Bo , Wang Laiping , Guan Qiuzhu , Xue Xiaomin , Gao Wensheng , Nie Peixian 
Published: April 2023

IntroductionHigh salinity significantly hampers global agricultural productivity. Plants typically undergo lower nitrogen utilization efficiency (NUE) under salt stress. As an active byproduct from brassinolide biosynthesis, 24-epibrassinolide (EBR) is involved in regulating the stress-treated plant N absorption and assimilation. However, the exogenous EBR application effects’ on N absorption and assimilation in apple exposed to the salt-stressed condition remains unclear.MethodsWe sprayed exogenous EBR (0.2 mg L−1) on apple dwarf rootstock (M9T337) seedlings (growing hydroponically) under salt (NaCl) stress in a growth chamber. We analyzed the seedling development, photosynthesis and its-mediated C fixation, N (NO3−) absorption and assimilation in reponse to exogenous EBR application under salt stress.ResultsThe findings demonstrated that NaCl stress greatly hampered seedlings’ root growth and that exogenous EBR application obviously alleviated this growth suppression. Exogenous EBR-treated plants under NaCl stress displayed the more ideal root morphology and root activity, stronger salt stress tolerance and photosynthetic capacity as well as higher C- and N-assimilation enzyme activities, NO3− ion flow rate and nitrate transporter gene expression level than did untreated plants. Furthermore, the results of isotope labeling noted that exogenous EBR application also enhanced 13C-photoassimilate transport from leaves to roots and 15NO3− transport from roots to leaves under NaCl stress.ConclusionOur findings imply that exogenous EBR application, through strengthening photosynthesis, C- and N-assimilation enzyme activities, nitrate absorption and transport as well as synchronized optimizing the distribution of seedlings’ C and N, has a fundamental role in improving NUE in apple rootstock seedlings under salt stress.
Older adults’ experiences with using information and communication technology and tech support services in New York City: findings and recommendations for post-pandemic digital pedagogy for older adults
Authors: Finkelstein Ruth , Wu Yiyi , Brennan-Ing Mark 
Published: April 2023

IntroductionAlthough Information and Communication Technology (ICT) has great potential to help older adults cope with challenges associated with aging, the intended benefits of ICT are not always realized in this population due to access barriers and low digital literacy. During the COVID-19 pandemic, numerous tech support initiatives for older adults got underway. However, evaluation of the effectiveness of these initiatives is less common. This research partnered with a large, multi-service organization in New York City that gave some groups of their clients ICT devices, unlimited broadband, and access to technology training in response to COVID-19 lockdowns. This study investigates older adults’ experiences with ICT and ICT support services to better inform the existing and emerging tech support for older adults during and beyond the pandemic.MethodsData were obtained from interviewer-administered surveys of 35 older adult recipients of ICT devices, connectivity, and training in New York City. The average age was 74 years (range = 55–90 years). The group was diverse regarding race/ethnicity (Black 29%, Latino 19%, White 43%). All had low incomes. Surveys consisted of multiple-choice items and open-ended responses.ResultsThe study found that one size does not fit all when it comes to ICT training and support for older adults. While connection to devices and services and tech support led to a degree of ICT adoption, the newly learned skills did not always lead to expanded device usage. The readily available tech support training and support do not guarantee service utilization, as success with tech services is related to one’s pre-existing ICT competence.DiscussionThe study concludes that customized training based on individuals’ skills rather than age is needed. Tech support training should start by understanding an individual’s interests and incorporate tech education to help users identify a wide range of existing and emerging online services that can meet their needs. Service organizations should consider including an assessment of ICT access, use, and skills into their standard intake protocols to ensure effective service delivery.