bluuebunny/crossref_metadata_2025_split huggingface dataset:
Miscible Polymer Blend Membranes Bearing Pyrrolidone for Fractioning Sulfuric Acid and Sulfates
Authors: Yang Danni , Luo Tao , Zhang Tao , Lv Li , Zou Zongpeng , Tang Shengwei 
Published: January 2025

ABSTRACTIon exchange membranes of new chemistry based on polymer blends are proposed through a convenient solution‐blending process using the hydrophobic commodity polymer polyvinyl chloride (PVC) and the hydrophilic polyvinylpyrrolidone (PVP), which are completely miscible. The pyrrolidone groups can be protonated to form oxonium ions, functioning as transient fixed positive charges for fractioning sulfuric acid and sulfates via diffusion. The influence of PVC molecular weight and the membrane composition on the physical, chemical properties, and mass transfer performance of PVC‐PVP blend membranes was systematically investigated. After equilibrium in 2.68 mol/L sulfuric acid, the sulfuric acid, and water contents in the blend membranes increase with the increase of the membrane PVP contents (20–75 wt%). The permeability coefficients of sulfuric acid and ferrous sulfate for the blend membranes also exhibit a gradual increase. Membranes of mass transfer properties comparable to commercial ones can be easily obtained by tuning the membrane PVP contents. It is proved that the larger sulfuric acid permeability over sulfates (FeSO4 as an example) is due to both larger solubility and diffusion coefficient of sulfuric acid in the membrane phase. The optimal PVC‐PVP blend membranes have shown nice performance in fractioning sulfuric acid from sulfates, when treating titania waste acid. This study provides valuable guidance for the design of high‐performance yet low‐cost ion exchange membranes with pyrrolidone chemistry from commodity polymers for resource recovery.
HPTLC‐Bioautography–MS‐Guided Strategy for the Detection of Phthalides With Antimicrobial and Antioxidant Activities From Ligusticum chuanxiong Essential Oil
Authors: Wang Zhijun , Tang Xiaomeng , Lv Lei , Qiao Sicong , Chen Mengxin , Song Hongjie 
Published: January 2025

ABSTRACTIntroductionAntimicrobial resistance and free radical‐mediated oxidative stress and inflammation involved in many pathological processes have become treatment challenges. One strategy is to search for antimicrobial and antioxidant ingredients from natural aromatic plants. This study established a rapid and high‐throughput effect‐component analysis method to screen active ingredients from Ligusticum chuanxiong essential oil (CXEO).ObjectiveThe study aims to screen phthalides with antimicrobial and antioxidant activities from CXEO by high‐performance thin‐layer chromatography (HPTLC)‐bioautography combined with HPLC‐TOF/MS method.MethodsAntimicrobial activity was evaluated by disc diffusion and micro broth dilution methods. Antioxidant capacity was performed by DPPH scavenging test. Phthalides in CXEO were identified using HPLC‐TOF/MS method. HPTLC–bioautography technique was established to screen phthalides of antifungal and antioxidant activities.ResultsCXEO had significant inhibitory activity against Candida albicans, weak or undetected inhibitory activity against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. For tested strains of C. albicans, inhibition zone diameters ranged from 13 to 17 mm, and MICs were from 0.5 to 2 mg mL−1. CXEO also had strong antioxidant activity, IC50 value for scavenging DPPH free radicals was 1.014 ± 0.014 mg mL−1. Nine phthalides in CXEO were tentatively identified. Ligustilide and senkyunolide A were screened to have both antimicrobial activity against C. albicans and strong DPPH scavenging property.ConclusionHPTLC‐bioautography–MS‐guided strategy is very practical for high‐throughput screening of antifungal and antioxidant phthalides from CXEO. In vitro experiments have shown that phthalides and CXEO have good biological activities, which may be used to the treatment of C. albicans infection or oxidative stress damage caused by various diseases. The therapeutic potential should be validated in vivo in the future.
Core Concepts: Self‐Controlled Designs in Pharmacoepidemiology
Authors: Bots Sophie H. , Brown Jeremy , Wong Angel Y. S. , Martin Ivonne , Douglas Ian , Klungel Olaf H. , Schultze Anna 
Published: January 2025

ABSTRACTOne of the key challenges in pharmacoepidemiological studies is that of uncontrolled confounding, which occurs when confounders are poorly measured, unmeasured or unknown. Self‐controlled designs can help address this issue, as their key comparison is not between people, but periods of time within the same person. This controls for all time‐stable confounders (genetics) and in the absence of time‐varying confounding negates the need for an external control group. However, these benefits come at the cost of strong assumptions, not all of which are verifiable. This review briefly introduces the reader to different types of self‐controlled study designs, their terminology and highlights key publications through an annotated reference list. We include a practical description of how these designs can be implemented and visualised using recent examples, and finish by discussing recent developments. We hope this review will serve as a starting point for researchers looking to apply self‐controlled designs in their own work.
Glucagon‐Like Peptide 1 Receptor Agonists and Chronic Lower Respiratory Disease Among Type 2 Diabetes Patients: Replication and Reliability Assessment Across a Research Network
Authors: Conover Mitchell M. , Albogami Yasser , Hardin Jill , Reich Christian G. , Ostropolets Anna , Ryan Patrick B. ,   Observational Health Data Sciences and Informatics (OHDSI) Research Network
Published: January 2025

ABSTRACTIntroductionThe aim of this study is to use observational methods to evaluate reliability of evidence generated by a study of the effect of glucagon‐like peptide 1 receptor agonists (GLP‐1RA) on chronic lower respiratory disease (CLRD) outcomes among Type‐2 diabetes mellitus (T2DM) patients.Research Design and MethodsWe independently reproduced a study comparing effects of GLP‐1RA versus dipeptidyl peptidase‐4 inhibitors (DPP4‐i) on CLRD outcomes among patients with T2DM and prior CLRD. We reproduced inputs and outputs using the original study data (national administrative claims) and evaluated the robustness of results in comparison to alternate design/analysis decisions. To evaluate generalizability, we applied an analysis protocol and conducted a meta‐analysis across a research network that includes a diverse array of populations and data sources. We also produced additional analyses evaluating individual drugs within the GLP‐1RA class and CLRD outcomes.ResultsWe confirmed alignment of study inputs and outputs and closely reproduced effect estimates and sensitivity analyses. Adjusted effect estimates were robust to empirical calibration. Network meta‐analysis confirmed original findings but indicated weaker effects than originally published. Meta‐analysis of drugs within the GLP‐1RA class against DPP4‐i provided evidence that effects vary within the GLP‐1RA class, indicating stronger effects for exenatide and weaker effects of dulaglutide.ConclusionsThis study supports and establishes the reliability of the original study by (1) producing consistent findings in a range of alternate databases and populations, (2) demonstrating effects for multiple drugs within the GLP‐1RA class, and (3) independently confirming the reproducibility of the original study and its findings. This reliability evaluation provides the beginnings of a broader framework for using standardized tools and distributed data networks to systematically interrogate the reliability of findings generated using observational data.
Evaluation of Drug–Drug Interactions in Pharmacoepidemiologic Research
Authors: Chen Cheng , Pham Nguyen Thanh Phuong , Hughes John E. , Hennessy Sean , Leonard Charles E. , Miano Todd A. , Douros Antonios , Gagne Joshua J. , Bykov Katsiaryna 
Published: January 2025

ABSTRACTDrug–drug interactions (DDIs) represent a significant concern for clinical care and public health, but the health consequences of many DDIs remain largely underexplored. This knowledge gap underscores the critical need for pharmacoepidemiologic research to evaluate real‐world health outcomes of DDIs. In this review, we summarize the definitions commonly used in pharmacoepidemiologic DDI studies, discuss common sources of bias, and illustrate through examples how these biases can be mitigated.
Long‐Term Opioid Therapy and Risk of Opioid Overdose by Derived Clinical Indication in North Carolina, 2006–2018
Authors: DiPrete Bethany L. , Ranapurwala Shabbar I. , Pettifor Audrey E. , Powers Kimberly A. , Delamater Paul L. , Fulcher Naoko , Pence Brian W. 
Published: January 2025

ABSTRACTPurposeLong‐term opioid therapy (LTOT) has been shown to be associated with opioid overdose, but the definition of LTOT varies widely across studies. We use a rigorous LTOT definition to examine risk of opioid overdose by duration of treatment.MethodsData were from a large private health insurance provider in North Carolina linked to mortality records from 2006–2018. Eligible patients were adults (18–64) newly initiating opioid therapy after a pain diagnosis or surgery. We defined LTOT as ≥ 1 opioid prescription per month totaling ≥ 60 days' supply within 90 days. We used inverse probability (IP)‐weighted cumulative incidence functions to estimate three‐year risk of opioid overdose and IP‐weighted Fine–Gray models to estimate sub‐distribution hazard ratios, comparing LTOT to short‐ to medium‐term opioid therapy (SMTOT). We also examined modification by derived indication of acute pain or surgery versus chronic pain.ResultsWe identified 491 369 patients, and 1.7% were exposed to LTOT. The three‐year risk of opioid overdose was 0.3 percentage points (RDw = 0.003, 95% CI: 0.001, 0.005) higher in LTOT patients compared to patients with SMTOT. The weighted hazard of opioid overdose was 4.4 times as high (HRw 4.42, 95% CI 2.41, 8.11) among patients exposed to LTOT versus SMTOT. We did not find meaningful modification by clinical indication for opioid therapy.ConclusionsExposure to LTOT was associated with increased risk of opioid overdose in this population of privately insured patients using a rigorous definition of LTOT. These findings confirm the importance of guidelines to minimize duration of opioid therapy whenever possible.
p53 and ΔNp63 Transcriptional Programs in Coordination With TGF‐β1 and RAS Activation Regulate HAS2 and HAS3 in Epithelial Cells
Authors: Basu Kaustuv , Li Yanshuang , Parnigoni Arianna , Vasilaki Eleftheria , Kolliopoulos Constantinos , Heldin Paraskevi 
Published: January 2025

ABSTRACTHyaluronan, p53, and transforming growth factor‐β1 (TGF‐β1) play important roles in skin function. They are involved in keratinocyte growth, migration, and differentiation, although the way they interact is not well understood. Analysis of p63 genome‐wide chromatin immunoprecipitation and sequencing (ChIP‐seq) revealed that ΔNp63, a paralogue of p53, binds to the genomic loci of HAS2 and HAS3, encoding hyaluronan synthases, in human‐immortalized keratinocyte HaCaT cells which express mutant p53. Additionally, ΔNp63 binding to these loci, particularly onto the HAS2 gene, was further increased by constitutively active (ca)RAS‐ and TGF‐β1‐mediated suppression of p53. We found that p53 suppressed HAS2 and HAS3 mRNA expression, while ΔNp63 increased their expression. When mutant p53 was silenced, there was a significant increase in HAS2 and HAS3 expression in unstimulated HaCaT cells. After TGF‐β1 stimulation, HAS2 expression was further increased while HAS3 expression was suppressed. Additionally, p53 mutation and abrogation affected the levels of secreted hyaluronan. Moreover, activation of RAS played a key role in regulating TGF‐β1‐mediated expression of HAS2 and the hyaluronan receptor CD44 in a cell‐specific manner. The level of HAS3 was associated with the malignant phenotype in the MCF10A breast cancer progression model. In conclusion, we found that endogenous p53 and ΔNp63 activities are pivotal in regulating HAS2 and HAS3 mRNA expression in connection to TGF‐β1 stimulation and RAS activation.
Oxidative Destruction of p‐Chloroaniline in a Dielectric Barrier Discharge at Atmospheric Pressure in Oxygen
Authors: Gushchin Andrey , Kvitkova Elena , Ignatev Andrey , Izvekova Tatyana , Sharova Julia , Rybkin Vladimir 
Published: January 2025

ABSTRACTThe paper presents the results of studies of the kinetics of decomposition of an aqueous solution of p‐chloroaniline (PCA) under the action of a dielectric barrier discharge at atmospheric pressure in an oxygen flow. The range of PCA concentrations was 10–150 mg/L, and the power density was 1.3 W/cm3. It was found that the decomposition of PCA proceeds formally according to the 1st kinetic order equation with a rate constant of (3.1–1.1) s‐1. The energy yield of decomposition (number of decomposed molecules per 100 eV of input energy) was 0.071–0.38. Data on the kinetics of the formation of degradation products (NH4+, NO2−, NO3−, Cl−, CO, CO2, carboxylic acids, aldehydes), as well as the results of biotesting of treated solutions are presented.
Microbial Ecology of Permafrost Soils: Populations, Processes, and Perspectives
Authors: Waldrop Mark P. , Ernakovich Jessica Gilman , Vishnivetskaya Tatiana A. , Schaefer Sean R. , Mackelprang Rachel , Barta Jiri , O′Brien Joy M. , Winkel Matthias , Barbato Robyn A. , Heffernan Liam , Leewis Mary‐Cathrine , Hewitt Rebecca E. , Hultman Jenni , Sun Yanchen , Biasi Christina , Bradley James A. , Liebner Susanne , Ricketts Michael P. , Muscarella Mario E. , Schütte Ursel , Abuah Fumnanya , Whalen Emily , Timling Ina , Voigt Carolina , Taş Neslihan , Lloyd Karen G. , Siljanen Henri M. P. , Rivkina Elizaveta M. , Voříšková Jana , Tao Jing , Liang Renxing , Li Zhen , Lennon Jay T. , Onstott T. C. 
Published: January 2025

ABSTRACTPermafrost microbial research has flourished in the past decades, due in part to improvements in sampling and molecular techniques, but also the increased focus on the permafrost greenhouse gas feedback to climate change and other ecological processes in high latitude and alpine permafrost soils. Permafrost microorganisms are adapted to these extreme environments and remain active at low temperatures and when resources are limited. They are also an important component of global elemental cycles as they regulate organic matter turnover and greenhouse gas production, particularly as permafrost thaws. Here we review the permafrost microbiology literature coupled with an exploration of its historical aspects, with a particular focus on a new understanding advanced by molecular biology techniques. We further identify knowledge gaps and ways forward to improve our understanding of microbial contributions to ecosystem biogeochemistry of permafrost‐affected systems.
Is there any skill in daily global precipitation forecasts over the Maritime Continent?
Authors: Mittermaier Marion P. 
Published: January 2025

AbstractThe presence of and spatial variation in daily precipitation forecast skill from a global deterministic Numerical Weather Prediction (NWP) model is explored over the Maritime Continent (MC). Location specificity and the variation of forecast performance with topographic height were of primary interest. The localised Fractions Skill Score (LFSS) was used alongside one well‐known derivative, the Skilful Spatial Scale (SSS). In this study a new temporal factorisation, the Lead Time Potential (LTP), is introduced and applied. It was found that whilst scores can be high, these do not necessarily imply useful skill. This is because of the impact of observed frequency of occurrence or base rate f in the 0.5 + f/2 useful skill criterion which underpins the SSS and LTP. For regions with high rainfall, such as the MC, it is not uncommon for f → 1, especially for modest thresholds, such that 0.5 + f/2 → 1. This means that even a near‐perfect score is not associated with any useful skill. Thus, if f/2 is ignored, the scales with useful skill are either considered as being smaller than they are, or worse, suggesting there is useful skill when there is none. The new LTP identifies many locations where useful skill is present up to seven days ahead. Typhoons are associated with some of the highest scores and skill, whereas persistence over land can be locally as skilful as the model forecast, though model forecasts show larger regions with better (lower) SSS and better (higher) LTP.
Enhanced Designs for the Multi‐Region Run Sum X¯${{\bar{X}}}$ Control Chart Based on the Median Run Length Metric
Authors: Teoh Wei Lin , Teoh Jing Wei , Goh Kai Le , Song Zhi , Saha Sajal 
Published: January 2025

ABSTRACTExtensive research has focused on the multi‐region run sum control chart, a sophisticated procedure for monitoring process mean shifts, particularly utilising the average run length (ARL) metric. Nevertheless, the skewed nature of the run‐length distribution can render the ARL metric misleading, and occasionally ineffective, when assessing a control chart's performance. The employment of the ARL metric in designing the run sum chart can erode practitioners’ confidence. This might be due to its complexities and difficulties in interpreting the complicated statistical concepts involved. To address this issue, the median run length (MRL) metric is proposed in this paper, which has been endorsed by various researchers due to its robustness towards skewness in the run‐length distribution. We design two novel optimal run sum charts utilising MRL and expected MRL (EMRL) metrics, under the assumptions of deterministic and unknown shit‐size scenarios, respectively. Specifically, the performances of the 4‐region and 7‐region run sum charts in both the zero‐state and steady‐state scenarios are developed using the Markov chain approach. Our comparative studies reveal that the proposed MRL‐ and EMRL‐optimal run sum charts surpass the optimal Shewhart and exponentially weighted moving average (EWMA) charts in terms of their average detection speeds, especially for moderate to large levels of process mean shifts. Practical examples from different industries are demonstrated using the proposed optimal run sum chart.
Measuring soil carbon stocks with greater simplicity, accuracy, and repeatability
Authors: Wuest Stewart 
Published: January 2025

AbstractIf soil samples are collected using the traditional linear depth methods, comparisons of soil constituents are most often confounded with differences in soil bulk density. Recent interest in quantifying soil C stocks will therefore require improved soil sampling protocols. The dry mass per unit area method eliminates soil bulk density as a measurement factor and therefore allows unbiased comparisons between sampling dates, soil conditions, soil types, sampling techniques, and treatments that affect soil bulk density. This note explains how this simple change in quantifying soil depth eliminates soil bulk density as a factor and improves the quantification of soil C stocks.
Exploring the Antidiabetic Potential of Pyrimidine‐Derived Chalcones: Synthesis, Biological Evaluation, and Molecular Modeling
Authors: Fatima Miraj , Aslam Samina , Fatima Aroog , Muhammed Muhammed Tilahun , Chaudhry Faryal , Irfan Ali , Rani Sadia , Raish Mohammad , Mateev Emilio , Jardan Yousef A. Bin 
Published: January 2025

AbstractIn the current research work, we have prepared a series of pyrimidine moiety‐containing molecules due to their promising medicinal profile. First of all, we prepared two acetyl derivatives of pyrimidine (15, 16), and then they reacted with different aryl aldehydes to form various chalcones in a 63–84% yield. The synthesized compounds were characterized by different analytical techniques and screened for their antidiabetic activity. Almost all synthesized compounds (17–43) showed good to excellent antidiabetic activity. Among all the synthesized compounds, 17 and 30 showed remarkable antidiabetic activity with IC50 values of 5.118 µm and 5.187 µm respectively, as compared to the standard reference drug acrabose (IC50 = 37.38 µm). While compounds 18, 19, 21, 22, 23, 27, 31, 33, 38, 42, and 43 also showed excellent antidiabetic activity. Additionally, most biopotent drugs' molecular docking studies supported the distinct connections between substituent moieties and docking domains and agreed with the experimental findings. The molecular dynamics simulation study of the active compounds with the highest binding propensity to the enzyme revealed the robustness of the complexes from the docking study.
Cesium Iron (III) Pyrophosphate Prepared Using a Solid‐State Process: Structure, Mössbauer Spectroscopy, and Relaxation Dynamics
Authors: Karray Mayssa , Garoui Iheb , Nasri Saber , Znaidia Sami , Mahmoud Abdelfattah , Oueslati Abderrazek 
Published: January 2025

AbstractThis study aims to synthesize the cesium iron (III) pyrophosphate compound CsFeP2O7 using a conventional solid‐state reaction method. The refinement of the X‐ray diffraction pattern indicated that the sample crystallized in a monoclinic structure at room temperature. The morphology and composition of the CsFeP2O7 compound were further analyzed using scanning electron microscopy (SEM) in conjunction with energy‐dispersive X‐ray spectroscopy (EDX). The Mössbauer spectroscopy confirmed the paramagnetic behavior of the CsFeP2O7 phosphate material at room temperature. The FTIR spectrum revealed absorption peaks corresponding to the fundamental modes of P2O74− anion vibrations. The electrical and dielectric properties were characterized using impedance spectroscopy as a function of frequency and temperature. The activation energy for continuous conductivity, (σdc), was found to be 0.13 eV for the temperature range [453–533 K] and 0.44 eV for the temperature range [553–673 K]. The permittivity behavior was analyzed using the Maxwell–Wagner model of interfacial polarization. The contribution of the grains and grain boundaries to the conduction mechanism was confirmed by Nyquist plots, which were fitted with an appropriate equivalent circuit. The imaginary parts of impedance (Z″) and modulus (M″) curves indicate a dielectric relaxation in the sample.
Recent Advances in Polymorphism of Organic Solar Cells
Authors: Xin Jingming , He Zemin , Liu Zefeng , Liu Xingpeng , Zhu Huiyao , Zhang Zhe , Song Chunpeng , Yin Xipeng , Liang Qiuju , Liu Jiangang 
Published: January 2025

AbstractAs organic solar cells (OSCs) achieve notable advancements, a significant consensus has been highlighted that the device performance is intricately linked to the active layer morphology. With conjugated molecules being widely employed, intermolecular interactions exert substantial influence over the aggregation state and morphology formation, resulting in distinct molecular packing motifs, also known as polymorphism. This phenomenon is closely associated with processing conditions and exerts a profound impact on functional properties. Consequently, understanding the mechanisms underlying polymorphism formation and establishing a definitive correlation between polymorphism and photophysical behavior is crucial for driving high‐performance OSCs. In this review, a comprehensive synthesis of recent developments is provided and emphasizing its pivotal role in the field of OSC polymorphism. The thermodynamic and kinetic principles governing polymorphism formation are examined. Then, representative polymorphisms are classified in OSC materials, segmenting them into homopolymers, copolymers, and IDTT‐ and BTP‐based small molecules. Additionally, prevalent strategies are evaluated for manipulating polymorphism. This review culminates with an analysis of the critical effects of polymorphism on OSCs, including charge carrier characteristics, photovoltaic efficiency, and long‐term stability. By offering novel perspectives and practical insights, this work seeks to guide future efforts in the morphological optimization of high‐efficiency OSCs.