bluuebunny/crossref_metadata_2025_split huggingface dataset:
Challenges in renally eliminated medication use: Evaluating cystatin C and serum creatinine eGFR discordance
Authors: Hernandez Brandy N. , Wieruszewski Patrick M. , Barreto Jason N. , Cole Kristin C. , Damani Shivam , Kane‐Gill Sandra L. , Kashani Kianoush B. , Kelly Ellen , Rule Andrew D. , Teaford Hilary R. , Zand Jaleh , Barreto Erin F. 
Published: November 2024

AbstractBackgroundAccurately estimating glomerular filtration rate (GFR) is crucial for dosing medications in hospitalized patients. Due to limitations of serum creatinine for GFR estimation, serum cystatin C (CysC) has been explored as an alternative functional kidney biomarker. This study assessed discordance between eGFRCr and eGFRCysC in a large sample of hospitalized patients and examined the frequency of renally eliminated medications affected by eGFR discordance.MethodsThis multisite historical study included adults hospitalized between 2011 and 2023 with CysC and serum creatinine reported within 24 h of each other. The first concurrent biomarker pair for each patient was analyzed. eGFR discordance and use of renally eliminated medications were described.Results17,718 hospitalized patients with concurrent creatinine and CysC assessments were included. The median eGFRCr was 65 mL/min, and the eGFRCysC was 46 mL/min. The median absolute difference of eGFRCr−eGFRCysC was 15 mL/min, and 7972 patients (45%) had a > 30% absolute difference. There was a significantly greater percentage of patients with an eGFR <30 mL/min based on eGFRCysC (26%) compared to eGFRCr (15%) (p < 0.001). Patients were prescribed an average of 20 medications in the 24 h surrounding the concurrent biomarker assessment. Renally eliminated medications accounted for 39% ± 13% of medication orders, and 80% of patients with eGFR discordance were prescribed five or more renally eliminated medications.ConclusionSubstantial eGFR discordance between eGFRCysC and eGFRCr was observed in hospitalized patients, which directly affects the dosing of renally eliminated medications. Further research is needed to optimize the pharmacotherapy of renally eliminated medications with discordant GFR assessments to improve medication safety and effectiveness.
Recent Advances in Labeling‐Based Quantitative Glycomics: From High‐Throughput Quantification to Structural Elucidation
Authors: Wang Zicong , Zhang Jingwei , Li Lingjun 
Published: November 2024

ABSTRACTGlycosylation, a crucial posttranslational modification (PTM), plays important roles in numerous biological processes and is linked to various diseases. Despite its significance, the structural complexity and diversity of glycans present significant challenges for mass spectrometry (MS)‐based quantitative analysis. This review aims to provide an in‐depth overview of recent advancements in labeling strategies for N‐glycomics and O‐glycomics, with a specific focus on enhancing the sensitivity, specificity, and throughput of MS analyses. We categorize these advancements into three major areas: (1) the development of isotopic/isobaric labeling techniques that significantly improve multiplexing capacity and throughput for glycan quantification; (2) novel methods that aid in the structural elucidation of complex glycans, particularly sialylated and fucosylated glycans; and (3) labeling techniques that enhance detection ionization efficiency, separation, and sensitivity for matrix‐assisted laser desorption/ionization (MALDI)‐MS and capillary electrophoresis (CE)‐based glycan analysis. In addition, we highlight emerging trends in single‐cell glycomics and bioinformatics tools that have the potential to revolutionize glycan quantification. These developments not only expand our understanding of glycan structures and functions but also open new avenues for biomarker discovery and therapeutic applications. Through detailed discussions of methodological advancements, this review underscores the critical role of derivatization methods in advancing glycan identification and quantification.
(Prote)omics for Superior Management of Kidney and Cardiovascular Disease—A Thought‐Provoking Impulse From Nephrology
Authors: Beige Joachim , Masanneck Michael 
Published: November 2024

ABSTRACTChronic kidney disease (CKD) and cardiovascular disease (CVD) are complex conditions often managed by nephrologists. This viewpoint paper advocates for a multi‐omics approach, integrating clinical symptom patterns, non‐invasive biomarkers, imaging and invasive diagnostics to enhance diagnosis and treatment. Early detection of molecular changes, particularly in collagen turnover, is crucial for preventing disease progression. For instance, urinary proteomics can detect early molecular changes in diabetic kidney disease (DKD), heart failure (HF) and coronary artery disease (CAD), enabling proactive interventions and reducing the need for invasive procedures like renal biopsies. For example, urinary proteomic patterns can differentiate between glomerular and extraglomerular pathologies, aiding in the diagnosis of specific kidney diseases. Additionally, urinary peptides can predict CKD progression and HF development, offering a non‐invasive alternative to traditional biomarkers like eGFR and NT‐proBNP. The integration of multi‐omics data with artificial intelligence (AI) holds promise for personalised treatment strategies, optimizing patient outcomes. This approach can also reduce healthcare costs by minimizing unnecessary invasive procedures and hospitalizations. In conclusion, the adoption of multi‐omics and non‐invasive biomarkers in nephrology and cardiology can revolutionize disease management, enabling early detection, personalised treatment and improved patient outcomes.
Tensile and Crystallization Behavior of Melt‐Spun Fibers Derived From Poly(Butylene Terephthalate‐Co‐2,6‐Naphthalate) Copolyester
Authors: Mao Hsu‐I , Wu Wen‐Tzu , Chou Jui‐Yang , Chen Chin‐Wen 
Published: November 2024

ABSTRACTIn this study, a series of poly(butylene terephthalate‐co‐2,6‐naphthalate) (PBTN) copolymers was synthesized via a one‐step polycondensation process. These PBTN copolymers demonstrate excellent thermal stability and semi‐crystalline behavior, with the enthalpy of melting values exceeding 17 J g−1. Crystallization kinetics analysis revealed that the copolymers exhibit significantly higher crystallization rates than neat poly(butylene terephthalate) (PBT) and poly(butylene naphthalate) (PBN), making them well‐suited for fiber production. The copolymers were melt‐spun, followed by a post‐drawing process at a ratio of 2.0, to enhance fiber strength. By adjusting the 2,6‐naphthalene dicarboxylate (NDC) content, the mechanical properties and crystallinity of the PBTN fibers were fine‐tuned. Tensile testing revealed that the copolymer fiber containing 50 mol% NDC, post‐drawn at a ratio of 2.0, exhibits superior toughness, with maximum tenacity and elongation values of 3.13 g den−1 and 69.3%, respectively.
[18F]‐NOTA‐FAPI‐04 PET/CT downgraded the staging of a breast cancer patient and changed their treatment management
Authors: Qin Jingjie , Zhao Jingjing , Yu Jinming , Wei Yuchun 
Published: November 2024

AbstractA 47‐year‐old woman underwent [18F]‐FDG and [18F]‐NOTA‐FAPI‐04 PET/CT to assess the staging of suspected axillary lymph node enlargement following breast‐conserving surgery. The imaging with these two PET agents revealed starkly contrasting results. Significant [18F]‐FDG uptake in the right axillary fossa, intrathoracic muscles, and clavicle lymph nodes led nuclear medicine physicians to suspect metastasis. However, no uptake of [18F]‐NOTA‐FAPI‐04 was observed. Subsequently, the patient underwent an ultrasound‐guided biopsy of the enlarged axillary lymph nodes, which pathologically confirmed the diagnosis as inflammation. After a multidisciplinary discussion, the patient received radiotherapy for the right breast and 2.15Gy/F×28F for the tumor bed. She was discharged following the completion of her radiotherapy. Accurate diagnosis and staging are pivotal in selecting the optimal clinical treatment for breast cancer patients. Notably, [18F]‐NOTA‐FAPI‐04 PET/CT downgraded this patient's staging, significantly influencing the treatment strategy.
3D gamma analysis between treatment plans for nominally beam‐matched medical linear accelerators using PyMedPhys
Authors: Guan Fada , Donahue William , Biggs Simon , Jennings Matthew , Draeger Emily , Chen Huixiao , Wang Yuenan , Nguyen Ngoc , Carlson David J. , Chen Zhe , Han Dae Yup 
Published: November 2024

AbstractBeam‐matched linear accelerators (linacs) enable flexible patient scheduling and efficient treatment delivery in the event of unexpected machine downtime. The purpose of this study was to test the feasibility of 3D gamma index as an additional metric beyond standard measurement‐based comparisons for more efficient evaluation of treatment plans between linacs with nominally matched beam models to ensure safe patient transfer. Seventeen 3D conformal radiotherapy (3DCRT) plans and thirty‐six volumetric‐modulated radiation therapy (VMAT) plans for different disease sites were selected from the original linac. An in‐house script was used to automatically create new plans for the target linac and calculate dose using parameters of the original plans. 3D gamma analysis was performed to compare plan dose distributions between the target and original linacs using PyMedPhys. The 2%/2 mm gamma pass (γ≤1) rate was >99.99% for all 3DCRT plans. The median 1%/1 mm pass rate was 99.86% but two cases failed (< 90%). For VMAT plans, the median and minimum 2%/2 mm gamma pass rates were 99.43% and 93.81%. For 1%/1 mm, the median pass rate was 92.02% but ten cases failed. The results indicated using 3D gamma index can enhance the confidence and add an extra layer for safe patient transfer.
IL7 as a Risk Factor for Prostate Cancer: Implications for T Cell Apoptosis and Infiltration in the Tumor Microenvironment
Authors: He Enyang , Li Yaowen , Zhao Rui , Kong Qinyan , Shao Yi , Wang Cong , Liu Baoqun , Jiang Yvhang , Liu Qian , Cui Hualei 
Published: November 2024

ABSTRACTBackgroundProstate cancer's complex interplay with the immune microenvironment prompted an investigation into immune‐related pathogenic mechanisms and potential therapeutic targets.MethodsWithin the GSE176031 data set, Seurat meticulously dissected single‐cell profiles from radical prostatectomy patients. Leveraging CellMarker and SingleR cell identities were precisely annotated. Then, monocle traced pseudotime trajectories, illuminating cellular paths, complemented by CellChat's insights into intricate intercellular communications. Furthermore, mendelian randomization (MR) robustly substantiated causal associations within prostate cancer contexts.ResultsEmploying single‐cell analysis on intraoperative tumor and normal tissue, we identified 15 distinct cell types, notably observing a significant T cell reduction in tumor samples. Intercellular communication analysis revealed multiple pathways between epithelial cells and T cells, highlighting interleukin (IL)‐IL7R–IL2RG interactions. IL7R, crucial in T cell apoptosis, showed differential expression across T cell development stages. Patients with IL7 amplification had poorer outcomes (p < 0.05), supported by MR in two cohorts (ieu‐b‐4809 cohort: odds ratio [OR] = 1.005, p = 0.002, 95% confidence interval [CI] [1.002–1.008]; ebi‐a‐GCST90018905: OR = 1.063, p = 0.032, 95% CI [1.005–1.125]), confirming IL7 as a prostate cancer risk factor.ConclusionsThese findings suggest T cell depletion via IL7–IL7R signaling may drive prostate cancer progression, offering novel therapeutic insights.
Illuminating the Arctic: Unveiling seabird responses to artificial light during polar darkness through citizen science and remote sensing
Authors: Balazy Kaja , Jakubas Dariusz , Kotarba Andrzej , Wojczulanis‐Jakubas Katarzyna 
Published: November 2024

AbstractArtificial light at night (ALAN) has global impacts on animals, often negative, yet its effects in polar regions remains largely underexplored. These regions experience prolonged darkness during the polar night, while human activity and artificial lighting are rapidly increasing. In this study, we analyzed a decade of citizen science data on light‐sensitive seabird occurrences in Longyearbyen, a High‐Arctic port settlement, to examine the impact of environmental factors including ALAN during polar night. Our investigation incorporated remote sensing data on nighttime lights levels, sea ice presence, and air temperature measurements from local meteorological station. Our findings reveal that artificial light may potentially impact seabird diversity in this region, with overall diversity decreasing alongside light intensity. However, the relationship between artificial light and seabird diversity was not uniformly negative; individual species exhibited varied responses. We also detected a correlation between artificial light and air temperature, emphasizing the complexity of environmental interactions. Notably, the piscivorous Black Guillemot (Cepphus grylle), the dominant species in Longyearbyen during the polar night, showed increased contribution in the local seabird assemblage with higher light levels. In contrast, the zooplanktivorous Little Auk (Alle alle) exhibited reduced contribution with higher light intensity and increased presence with higher air temperatures. We hypothesize that these differing responses are closely tied to the distinct dietary habits, varying sensitivity to artificial light due to individual adaptations, and overall ecological flexibility of these species, underscoring the need for further research. This study, which uniquely combines citizen science with remote sensing data, represents the first effort to systematically assess the effects of artificial lighting on seabirds during the polar night. The findings underscore the potential importance of this issue for seabird conservation in polar regions.
Surfactant‐Free, Simple Hydrothermal Synthesis of Morphologically Porous, Three‐Dimensional SnS2 Nanomaterial as Long term Stable Electrode for Supercapacitor Application
Authors: James Jithu P , Jose Lolly Maria , Rani S Deepa , Kumar S Santhosh , Isaac R S Rimal , Sajan D. , Aravind Arun 
Published: November 2024

AbstractTin disulfide (SnS2) is a prominent candidate in the class of transition metal dichalcogenides (TMD), whose multiple electrical and electrochemical applications have recently steered much attention to energy storage devices like batteries and supercapacitors. Previous studies on the material came under the efforts to improve its applications by doping, creating composites, and other heterogeneous structures, which are complicated and less economical. Thus, pristine SnS2, utilizing its morphological features in conjunction with a suitable synthesis method, was investigated to improve efficiency and reduce cost without confusing processes or structural iterations. In this work, SnS2 is synthesized in its bare form using the hydrothermal method to investigate its potential supercapacitor application. The synthesis route followed a cost‐efficient and simple protocol, and the material shows a porous morphology favoring electrode–electrolyte interaction desirable for supercapacitors. A comprehensive study on the structural, morphological, and surface features done by XRD, FESEM, EDX, XPS, and nitrogen adsorption–desorption analysis confirmed the formation of SnS2 and interior structure. Supercapacitor analysis by CV, GCD, EIS, and cyclic stability tests reveal an intermittent energy storage mechanism, with a capacitance of 109.6 F g−1 at 1 A g−1 and high cyclic retention of 106% at 5 A g−1 after 7000 cycles.
Modification of Vancomycin Structure to Combat against Emerging Vancomycin Resistance
Authors: Ozverel Cenk Serhan , Bagkur Cemile , Erdag Emine 
Published: November 2024

AbstractThe rise of multidrug‐resistant bacteria, such as Enterococcus faecium and Staphylococcus aureus, has compromised the efficacy of glycopeptide antibiotics like vancomycin. Consequently, novel strategies are urgently needed to combat vancomycin‐resistant strains. In this study, novel vancomycin derivatives with disulfide groups targeting the D‐alanyl‐D‐alanine for wild‐type, D‐alanyl‐D‐lactate, and D‐alanyl‐D‐serine regions for resistant strains were designed. Using ChemDraw Pro 12.0, the derivatives were created, and their binding affinities were assessed through molecular docking with AutoDock Vina. Molecular dynamics (MD) simulations were conducted with GROMACS 5.1.4, followed by MM/PBSA and quantum mechanical calculations. Pharmacokinetic properties were evaluated via ADMETlab 3.0. The derivatives showed enhanced binding energies across all target regions, irrespective of aromatic moieties or aliphatic groups. All three derivatives demonstrated higher logP values, improved gastrointestinal absorption, increased plasma protein binding percentages, better tissue distribution, and comparable half‐lives to vancomycin, along with favorable safety profiles. Among the vancomycin derivatives designed, derivative I emerged as a particularly promising candidate against vancomycin‐resistant strains, demonstrating superior binding energies and improved pharmacokinetic properties, thereby making it a strong candidate for further development.
Electrocyclization for the Synthesis of Mono‐ and Disulfonyl‐substituted Pyrazoles From Sulfonyl Hydrazines and 1,3‐Diketones
Authors: Wu Yuanyuan , Liu Qiping , Ning Zhitao , Du Zhengyin 
Published: November 2024

AbstractThe tunable electrocyclic reactions for the synthesis of a series of mono‐ and disulfonyl‐substituted pyrazoles from sulfonyl hydrazines and 1,3‐diketones were investigated by utilizing inexpensive electrolytes under electrochemical conditions in an undivided cell. When nBu4NBF4 was used as an electrolyte, it afforded monosulfonyl‐substituted pyrazoles. By contrast, when NH4I was used as an electrolyte, it gave disulfonyl‐substituted pyrazoles. The mechanistic investigation shows that they all underwent a free radical process but formed N‐centered sulfonyl hydrazine radical and S‐centered sulfonyl radical in the synthesis of mono‐ and disulfonyl‐substituted pyrazoles, respectively.
Cation‐Modified Co‐Based Borophosphates for Efficient and Robust Oxygen Evolution Reaction
Authors: Meng Yan , Pan Dong‐Sheng , Wang Ao , Song Jun‐Ling 
Published: November 2024

AbstractThe development of cost‐effective electrocatalysts for oxygen evolution reaction (OER) is critical and challenging in the field of electrocatalytic water splitting for industrial applications. Herein, a series of cations (Fe, Ni, and Zn)‐doped Co‐based borophosphates with an anion skeleton (Na2CoB3P2O11(OH)·nH2O are prepared by a simple hydrothermal method, in which the cation dopants could be easily achieved via a simple cation exchange during the hydrothermal reaction process. Especially, the Fe dopant increases active sites, improves charge‐mass transfer, and tunes the electronic structures of the Co‐based borophosphate electrode. The optimal Fe‐doped NaCBPO (NaC3FBPO), with the cobalt to iron molar ratio of 3, shows a low overpotential of 289 mV at the current density of 10 mA cm−2, and it can be stable for 16 h at this current density. Above all, it has a fast reaction rate with a low Tafel slope of 84.25 mV·dec−1. This work provides a promising transition metal‐based borophosphates materials with high efficiency and durability toward water splitting.
Phenoxaphosphonium Mixed Ylides in Reactions With Alkynes
Authors: Nenashev Anton , Zavaruev Mikhail , Levina Irina , Roznyatovsky Vitaly , Pisarev Sergey , Pavlova Anna , Potapov Ilia , Motyakin Mikhail , Shutkov Ilya , Timchenko Yury , Rodin Igor , Nazarov Alexey , Podrugina Tatyana 
Published: November 2024

AbstractThe reactivity of ylides possessing additional iodonium functionality is driven by the departure of the iodonium group, which generates highly reactive intermediates. The scope of these reactions depends on both the nature of the reacting partner and the functional groups present at the ylidic center. In this study, we investigate the reactivity of phosphonium–iodonium ylides, where the ylidic carbon atom is bonded to a cyclic phenoxaphosphonium moiety and various electron‐withdrawing substituents. The study examines these ylides in reactions with nitriles and alkynes, continuing our investigation of acyclic phosphonium–iodonium ylides with triple‐bond‐containing compounds. The incorporation of phosphorus into a cyclic structure reveals new bond‐making and bond‐breaking patterns in reactions with alkynes, leading to novel reaction pathway and the formation of enone‐functionalized phosphonates. Phenoxaphosphonium–iodonium ylides and furans have been shown to have antiproliferative activity in vitro against several human cancer cell lines.
Revisiting Metal Dihalide Complexes with Phosphine Ligands: Isostructurality, Steric Effects, Anagostic Interactions, Crystal Voids, and Energetic Calculations
Authors: Pérez Hiram , Gil Diego M. , Gomila Rosa M. , Frontera Antonio 
Published: November 2024

AbstractThe crystal structures of seven metal dihalide complexes with triphenylphosphine (PPh₃) and two with tribenzylphosphine (PBz₃) have been reanalyzed. The studied complexes include [FeCl₂(PPh₃)₂], [CoCl₂(PPh₃)₂], [CoBr₂(PPh₃)₂], [NiCl₂(PPh₃)₂], [NiBr₂(PPh₃)₂], [NiI₂(PPh₃)₂], [ZnCl₂(PPh₃)₂], [NiCl₂(PBz₃)₂], and [NiBr₂(PBz₃)₂]. A detailed geometric analysis revealed high isostructurality among several pairs. Ligand steric effects were assessed using cone angles and percentage surface coverage. Crystal packing is stabilized by weak C─H⋯π and C─H⋯X (X = Cl, Br, and I) interactions. Notably, [NiCl₂(PBz₃)₂] and [NiBr₂(PBz₃)₂] feature rare intramolecular C─H⋯Ni anagostic interactions. Reduced density gradient (RDG) and noncovalent interaction (NCI) plots confirmed weakly attractive C─H⋯π contacts in all complexes. Void‐volume analysis assessed the mechanical strength of the crystals, while pixel energy and energy frameworks clarified structural stability and dominant interactions. Density Functional Theory (DFT) calculations, along with QTAIM/NCIplot and NBO analyses, as well as electron density (ED) versus electrostatic potential (ESP) plots, were performed to better understand the C─H···Ni interactions and distinguish between agostic and anagostic interactions.
High Performance Perovskite Photodiodes via Molecule‐Assisted Interfacial and Bulk Modulations
Authors: Yan Yuting , Zhou Bin , Lin Xi , Shi Jian , Wang Shasha , Qu Duo , Tu Yongguang , Luo Xiaoguang , Huang Wei 
Published: November 2024

AbstractMetal halide perovskites have attracted significant attention in photodetection due to their superior photophysical properties and improved stability. However, the performance of their photodiodes is predominantly limited by non‐radiative recombination within the perovskite layer or at interfaces. Here, molecular engineering via phenylethylammonium chloride for interfacial modulation and methylenediammonium dichloride for bulk modulation is introduced into vertical perovskite photodiodes to boost the photodetection performance. The responsivity at 635 nm excitation increased from 0.09 to 0.33 A W−1 with interfacial modulation, compared to the original perovskite device, and is further improved to 0.40 A W−1 with the combined effects of interfacial and bulk modulations (i.e., synergistic bimolecular engineering). The optimized photodiodes demonstrated high detectivity of over 1011 Jones, a rapid response time of ≈1 µs, and a linear dynamic range of ≈100 dB. Furthermore, the photocurrent exhibited a U‐shaped dependence on temperature ranging from 10 to 300 K, with linearity breaking under strong illumination at low temperatures. These results confirmed that molecular engineering is the promising strategy for achieving high‐performance perovskite photodetectors.