bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Chloro‐Substituted β‐Ketiminate Palladium Complexes, Spectral and Thermal Investigation of their Structures
Authors: Taher Deeb , AlNaimat Sara , Assaf Khaleel I. , Helal Wissam , Korb Marcus 
Published: January 2025

AbstractThe synthesis and characterization of nine palladium(II) complexes featuring β‐ketoiminato ligands of type [Pd(ArNacac)2] (4) with Ar=2‐chlorolphenyl (a); 3‐chlorophenyl (b); 4‐chlorophenyl (c); 2,3‐dichlorophenyl (d); 2,4‐dichlorophenyl (e); 2,6‐dichlorophenyl (f); 3,5‐dichlorophenyl (g); 2,4,5‐trichlorophenyl (h); 2,4,6‐trichlorophenyl (i) is reported. The molecular structure of 4 a–f, 4 h and 4 i in the solid state was confirmed by single‐crystal X‐ray diffraction studies. All eight crystal structures are centrosymmetric, with the metal positioned in a slightly distorted square plane. Intermolecular non‐covalent interactions such as C−H⋅⋅⋅Pd, Cl⋅⋅⋅Cl, Cl⋅⋅ π, C−H⋅⋅⋅Cl, Cl⋅⋅⋅O, C−H⋅⋅ π, and π⋅⋅⋅π play crucial roles in the formation of the supramolecular structures. The crystal structures of 4 b, 4 c, and 4 e revealed unique intermolecular C−H⋅⋅⋅Pd anagostic interactions between the hydrogen atom on the substituted ligand and the palladium centers, which enable the formation of 1‐D polymeric chains. The intermolecular non‐covalent interactions were analyzed using Hirshfeld surface. The proportional contributions of each individual atom to the formation of these non‐covalent interactions are shown in the 2D fingerprint plots. Furthermore, density functional theory (DFT) has been used to compute the energetic estimation of non‐covalent interactions in 4 b, 4 c and 4 e. Furthermore, computational methods such the non‐covalent interaction (NCI) plot index and quantum theory of atoms in molecules (QTAIM) analysis have been used to study the non‐covalent interactions in 4 b, 4 c, and 4 e.
Empirical Evidence of Dynamic Hydrogeomorphic Feature Inundation in a Lowland Floodplain
Authors: Cain Molly R. , Hixson Jase L. , Jones C. Nathan , Rhoads Bruce L. , Ward Adam S. 
Published: January 2025

ABSTRACTFloodplains along low‐gradient, meandering river systems contain diverse hydrogeomorphic features, ranging from isolated depressions to hydrologically‐connected channels. These ephemerally‐flooded features inundate prior to river water overtopping all banks, enhancing river‐floodplain connectivity during moderately high flow stages. Predicting when and where ecological functions occur in floodplains requires understanding the dynamic hydrologic processes of hydrogeomorphic features, including inundation and exchange. In this study, we examined storm event‐scale inundation and exchange dynamics along a lowland, meandering river system in central Illinois (USA). We monitored surface water presence/absence, surface water level, and groundwater level across floodplain hydrogeomorphic feature types (i.e., isolated depression, backwater channel, and flow‐through channel). Using these data, we evaluated inundation onset and recession characteristics, drivers of groundwater‐surface water interactions, and direction of hydrologic exchange with the river channel. Surface water presence/absence patterns suggested inundation onset timescales were primarily controlled by microtopography and recession timescales were correlated with floodplain elevation. Employing a novel hysteresis approach for characterising groundwater‐surface water interactions, we observed distinct patterns indicating differences in water sources across hydrogeomorphic units and event characteristics. Finally, differences in hydraulic head along floodplain channels revealed that channels with multiple inlets/outlets (i.e., flow‐through channels) conveyed down‐valley flow and channels with single inlets primarily functioned as sinks of river‐derived water to the floodplain with short source periods. These results highlight the heterogeneity of hydrologic processes that occur along lowland, meandering river‐floodplains, and more specifically, point to the important role hydrogeomorphic features play in controlling dynamic connectivity within the river corridor.
Stemflow Measurement on Large Leaning Quercus serrata Trees: Examination of Stem Lean Effect on Stemflow
Authors: Sato Takanori , Ohosawa Khotaro , Ebata Kazunari , Matsumoto Yoshitaka 
Published: January 2025

ABSTRACTStemflow measurements were performed on seven Quercus serrata and canopy structure metrics were obtained to identify factors that affect stemflow. Among the seven stems, two exhibited a large stem lean (> 20°). Although a linear relationship between rainfall and stemflow was shown in all trees, stemflow volume on the highly leaning stems (Nos. 6 and 7) was clearly smaller than those on the others. To extract canopy structure metrics effective on stemflow, GLM analysis was conducted. The objective variable was the slope of the regression line a between rainfall and stemflow. Canopy structure metrics as explanatory variables were the diameter at breast height DBH, tree height H, canopy projection area CPA, stem lean parameters L and Ld, and stem length (SL). L is stem lean from the base to the top and Ld is stem lean at breast height. GLMs were constructed using all combinations of explanatory variables. GLMs that included at least one explanatory variable for which a statistically significant had been shown were selected. First, GLMs constructed using DBH, L, and Ld were selected. The relationship between DBH and a was positive, but the R2 value using all data (R2 = 0.39) was smaller than upon excluding stem Nos. 6 and 7 (R2 = 0.85). This indicated the need to consider DBH and stem lean simultaneously. Second, a GLM constructed only using H was selected. R2 values of DBH with H and SL were 0.57 and 0.72, respectively. According to the definition of H, the more the stem leans, the lower H is measured, at the same value of SL. Thus, H was a parameter that includes the effect of stem lean. Our results indicated that it is necessary to consider stem lean when evaluating the process of canopy interception in deciduous broadleaf forests.
Assessing Water Requirements of Groundwater Dependent Ecosystems Using a Water Balance Approach and Streamflow Separation
Authors: Gurieff Lisa B. , Reading Lucy P. , Dawes Les 
Published: January 2025

ABSTRACTGroundwater supports approximately one ‐third of global water consumption. With increasing pressures on this resource from both anthropogenic users and climatic influences, sustainable management of groundwater has become crucial. This article identifies groundwater requirements by Groundwater Dependent Ecosystems (GDEs) as groundwater evapotranspiration and groundwater discharge to surface water features (baseflow). These requirements are investigated using a soil moisture model combined with a water balance approach, baseflow separation techniques and groundwater level monitoring. The results are compared to groundwater evapotranspiration estimates based on diurnal water level fluctuations. For the period 2000 to 2019, the combined GDE requirements, including groundwater evapotranspiration and environmental baseflow requirements, ranged from 130 to 420 mm/year for the highest ecological indicator level within the study area of approximately 20 km2. These estimates provide valuable information on the short‐term (daily to monthly) to long‐term (yearly to multi yearly) responses to climate variations and can be integrated into water stress assessments. These findings can be used to enhance our understanding of the role of GDEs water requirements and contribute to managing GDEs as part of sustainable management of groundwater resources.
Modelling the Soil Evaporation Loss in Secondary Forests of the Subtropical Monsoon Region, Central South China
Authors: Zhang Yong , Zhang Xinping , Xiao Xiong , Dai Junjie , Jiang Wanjing , Du Zhen , Zhan Xuhong , Liu Lu 
Published: January 2025

ABSTRACTUnder more frequent, extreme global drought events, the use of stable isotopes to quantify soil evaporation losses (SEL) is of great significance for understanding the water supply capacity from soil to plants. During March 2017–September 2019, we continuously monitored meteorological factors, soil temperature (ST) and humidity, and collected precipitation and soil water stable isotope data. The Craig‐Gordon (C‐G) and line‐conditioned excess (lc‐excess) coupled with the Rayleigh fractionation (RL) models were used to quantify SEL in subtropical secondary forests. The results showed: (1) the theoretical evaporation line (EL) slope negatively correlated with air temperature (AT). Water source isotopic values are more positive in autumn and more negative in spring. The aridity index (AI) and soil evaporation loss ratio (f) from both models indicated drier conditions during March–September 2018 compared to 2017 and 2019; (2) comparative analysis showed the C‐G model agreed more closely with measured evapotranspiration (ET0) and water surface evaporation (E) than the RL model, indicating better suitability of the C‐G model in the study region; (3) because the “inverse temperature effect” of the precipitation isotopes, the linear fitting method was not suitable for determining the water source in spring, summer, autumn, and on the annual scale, while the linear fitting method was consistent with the basic principle of soil evaporation in winter. Thus, the theoretical method was more suitable for determining the EL slope in such regions; (4) because of the different fundamentals, the C‐G model positively correlated with AT and negatively correlated with relative humidity (h), while the RL model showed the opposite trends, indicating different applicability. The SEL is influenced by soil thickness, atmospheric evaporation and soil water supply capacity. These findings support stable isotope application techniques for quantifying SEL and are crucial for analysis of soil water resources in subtropical secondary forests.
Intuitionistic Fuzzy Position Embedding Transformer for Motion Artefact Correction in Chemical Exchange Saturation Transfer MRI Series
Authors: Chen Bowei , Khalid Umara , Chai Enhui , Chen Li 
Published: January 2025

ABSTRACTChemical Exchange Saturation Transfer (CEST) Magnetic Resonance Imaging (MRI) is a cutting‐edge molecular imaging technique that enables non‐invasive in vivo visualization of biomolecules, such as proteins and glycans, with exchangeable protons. However, CEST MRI is prone to motion artefacts, which can significantly reduce its accuracy and reliability. To address this issue, this study proposes an image registration method specifically designed to correct motion artefacts in CEST MRI data, with the objective of improving the precision of CEST analysis. Traditional registration techniques often suffer from premature convergence to local optima, especially in the presence of rigid motion within the ventricular region. The proposed approach leverages an Intuitionistic Fuzzy Set (IFS) position encoding integrated with a multi‐head attention mechanism to achieve accurate global registration. A custom loss function is designed based on the properties of IFS position encoding to further enhance the model's motion correction capabilities. Experimental results demonstrate that this method provides a more robust and accurate solution for motion artefact correction in CEST MRI, offering new potential for improving the precision of CEST imaging in clinical and research settings.
TWIST1 Regulates FOXM1/β‐Catenin to Promote the Growth, Migration, and Invasion of Ovarian Cancer Cells by Activating MFAP2
Authors: Zhao Lingqin , Song Qian , Zheng Chao , Sun Wei , Chen Yaqing 
Published: January 2025

ABSTRACTTWIST1 is aberrantly expressed in ovarian cancer (OC). MFAP2 is a downstream target of TWIST1, and we previously found MFAP2 facilitated OC development by activating FOXM1/β‐catenin. We planned to investigate the mechanisms of TWIST1 in OC. GEPIA (a database for gene expression analysis) and UALCAN (a database containing comprehensive cancer transcriptome and clinical patient data) investigated TWIST1's connection to MFAP2 and patient survival in ovarian serous cystadenocarcinoma (OV). Human OC cells (A2780 and CAOV3) were transfected with si‐TWIST1, oe‐TWIST1, oe‐MFAP2, or si‐TWIST1 + oe‐MFAP2. Cellular apoptosis, viability, migration, and invasion were detected. TWIST1, MFAP2, FOXM1, and β‐catenin protein expressions were tested. Dual‐luciferase and ChIP‐qPCR validated the correlation between MFAP2 and TWIST1. Moreover, OC mice were established by injecting OC cells subcutaneously. The pathology, apoptosis, as well as Ki67, TWIST1, MFAP2, FOXM1, and β‐catenin protein levels of tumors were assessed. TWIST1 expression positively correlated with MFAP2 expression, but negatively related to patients' survival in OV. TWIST1 overexpression promoted malignant behaviors, and increased MFAP2, FOXM1, and β‐catenin protein levels for OC cells. TWIST1 knockdown exhibited the opposite trend. In vivo, TWIST1 knockdown disrupted tissue structure, induced apoptosis, decreased Ki67, TWIST1, MFAP2, FOXM1, and β‐catenin protein levels in tumor. Interestingly, MFAP2 overexpression reversed the effects of TWIST1 knockdown in vitro and in vivo. Additionally, dual‐luciferase and ChIP‐qPCR confirmed MFAP2 was a downstream target for TWIST1 in OC. TWIST1 regulated FOXM1/β‐catenin to promote the growth, migration, and invasion of OC cells by activating MFAP2, indicating that targeting TWIST1 may be effective for treating OC.
The Discovery of New Antibody in Autoimmune Disease Using a Novel Approach of Coombs Test Based on Flow Cytometry Method
Authors: Ullah Anwar , Ding Xuewei , Qi* Xia , Liu* Hui 
Published: January 2025

ABSTRACTBackground and ObjectiveThe objective of this study was to investigate the antibody to RBC in autoimmune disease patients with ANA using sensitive Coombs test based on flow cytometry method.Materials and MethodsAntinuclear antibodies (ANA) of autoimmune disease patients were added to red blood cells (RBCs) of blood group O. At the same time, healthy individuals' serums were also checked. The sample tubes were incubated for 30 min at 37°C. After incubation, each sample was analyzed on flow cytometry.ResultsThe agglutination of antinuclear antibodies in autoimmune patients was observed, while in healthy people, there was no agglutination between RBCs and serum. A significant difference was found between the disease group and healthy group (p < 0.0001) showing that a statistical analysis was conducted to compare the presence of ANA agglutination between the two groups. The reported p‐value of less than 0.0001 shows that the observed difference is highly significant. The serum stability test conducted over ten consecutive days demonstrated a CV of 6.90% in the test results, indicating favorable stability.ConclusionIn conclusion, this study emphasizes the effectiveness of flow cytometry as a valuable tool for detecting RBC‐bound antibodies and new antibodies in autoimmune disease patients. Its high sensitivity and accuracy have the potential to greatly improve diagnostic capabilities in clinical laboratories.
Efficacy of 2‐Mercaptoethane Sulfonate Sodium (MESNA) in the Prevention of Pancreatitis After Endoscopic Retrograde Cholangiopancreatography: A Randomized Open Label Trial
Authors: Sadeghi Amir , Samar Hesamoddin , Abbasinazari Mohammad , Mohammadi Parvaneh , Abazarikia Ali , Ziaie Shadi 
Published: January 2025

ABSTRACTBackground and AimOxidative stress has been considered a factor in the development of post‐endoscopic retrograde cholangiopancreatography pancreatitis (PEP). The present clinical trial evaluated whether adding intravenous mesna to rectal indomethacin could prevent or alleviate PEP.MethodsAn open‐labeled clinical trial was done on 698 participants undergoing endoscopic retrograde cholangiopancreatography (ERCP). Eligible patients received 100 mg indomethacin suppository 30 min before undergoing ERCP. Randomly, the participants received 400 mg intravenous mesna or nothing 30 min before doing the procedure. The PEP incidence and degree were measured in the patients as the main outcome.ResultsThe total rate of PEP was equal to 13.7%. No significant difference was seen in the rate and severity of PEP between the mesna plus indomethacin and indomethacin alone arms (14% vs. 13.4%, respectively, p = 0.671). In high‐risk patients, PEP rate and severity were lower in the mesna plus indomethacin group compared with indomethacin alone group and the statistical analysis showed that the difference was significant (41.7% vs. 51.8%, respectively, p = 0.033).ConclusionIn high‐risk patients undergoing ERCP, a combination of intravenous mesna plus rectal indomethacin may decrease the PEP rate and severity.
Comparative Study of Remimazolam and Midazolam During Sedated Upper Gastrointestinal Endoscopy: A Propensity Score Matching Analysis
Authors: Ichijima Ryoji , Ikehara Hisatomo , Sugita Tomomi , Yamaguchi Daisuke , Nagata Yasuhiko , Ogura Kanako , Esaki Mitsuru , Minoda Yosuke , Ono Hiroyuki , Maeda Yuki , Kiriyama Shinsuke , Sumiyoshi Tetsuya , Kanmura Yuichi 
Published: January 2025

ABSTRACTAimThis study aimed to compare the use of remimazolam and midazolam in upper gastrointestinal endoscopy in Japan as a sub‐analysis of data from an investigator‐initiated clinical trial of remimazolam.Methods and ResultsPatients in two groups were matched using propensity score matching. We evaluated the time from the end of the gastrointestinal endoscopy until discharge, the time from the end of the procedure until awakening, and adverse events. Overall, 36 participants from the clinical trial population who underwent upper gastrointestinal endoscopy using remimazolam and 199 patients who underwent the procedure with midazolam during the same period were included in this study. Following propensity score matching, 34 patients in both groups were matched. The median time from the end of the procedure until awakening was 27.0 min (23.0–40.5 min) in the midazolam group (Group M) and 0 min (0–5.0 min) in the remimazolam group (Group R); the median time from the end of the upper gastrointestinal endoscopy until discharge was 39.0 min (35.0–52.5 min) in Group M and 5.0 min (0–5.0 min) in Group R (p < 0.01). Reported adverse events were hypotension and hypoxemia in one patient in Group R.ConclusionCompared with midazolam, remimazolam significantly shortened the time to patient awakening and duration until the patient could leave the endoscopy room.Trial Registration: The main study (REM‐IICT JP1) is registered with the Japan Registry of Clinical Trails: jRCT2031200360
Patient‐derived xenograft model in cancer: establishment and applications
Authors: Gu Ao , Li Jiatong , Li Meng‐Yao , Liu Yingbin 
Published: January 2025

AbstractThe patient‐derived xenograft (PDX) model is a crucial in vivo model extensively employed in cancer research that has been shown to maintain the genomic characteristics and pathological structure of patients across various subtypes, metastatic, and diverse treatment histories. Various treatment strategies utilized in PDX models can offer valuable insights into the mechanisms of tumor progression, drug resistance, and the development of novel therapies. This review provides a comprehensive overview of the establishment and applications of PDX models. We present an overview of the history and current status of PDX models, elucidate the diverse construction methodologies employed for different tumors, and conduct a comparative analysis to highlight the distinct advantages and limitations of this model in relation to other in vivo models. The applications are elucidated in the domain of comprehending the mechanisms underlying tumor development and cancer therapy, which highlights broad applications in the fields of chemotherapy, targeted therapy, delivery systems, combination therapy, antibody–drug conjugates and radiotherapy. Furthermore, the combination of the PDX model with multiomics and single‐cell analyses for cancer research has also been emphasized. The application of the PDX model in clinical treatment and personalized medicine is additionally emphasized.
A novel allosteric driver mutation of β‐glucuronidase promotes head and neck squamous cell carcinoma progression through STT3B‐mediated PD‐L1 N‐glycosylation
Authors: Liu Zhonglong , Meng Xiaoyan , Tang Xiao , Zhang Jian , Zhang Zhiyuan , He Yue 
Published: January 2025

AbstractHead and neck squamous cell carcinoma (HNSCC) develops and advances because of the accumulation of somatic mutations located in orthosteric and allosteric areas. However, the biological effects of allosteric driver mutations during tumorigenesis are mostly unknown. Here, we mapped somatic mutations generated from 10 tumor‐normal matched HNSCC samples into allosteric sites to prioritize the mutated allosteric proteins via whole‐exome sequencing and AlloDriver, identifying the specific mutation H351Q in β‐glucuronidase (GUSB), a lysosomal enzyme, as a novel allosteric driver mutation, which considerably encouraged HNSCC progression both in vitro and in vivo. Mechanistically, the allosteric mutation of H351Q remarkably attenuated protein trafficking from the endoplasmic reticulum (ER) to lysosomes, leading to ER retention, in which GUSB‐H351Q facilitated the aberrant N‐glycosylation of PD‐L1 through increasing protein stability and mRNA transcripts of the STT3 oligosaccharyltransferase complex catalytic subunit B, an oligosaccharyltransferase complex. Moreover, GUSB‐H351Q reshaped a more immunosuppressive microenvironment featuring increased infiltration of exhausted CD8+ T cells and remodeled tumor metabolism, characterized by increased activity of the purine metabolism pathways and pyruvic acid accumulation. This study provides a mechanism‐driven approach to overcoming HNSCC progression and immune evasion and identifies novel druggable targets based on the presence of GUSB allosteric driver mutation.
Targeting intracellular cancer proteins with tumor‐microenvironment‐responsive bispecific nanobody‐PROTACs for enhanced therapeutic efficacy
Authors: Deng Changping , Ma Jiacheng , Liu Yuping , Tong Xikui , Wang Lei , Dong Jiayi , Shi Ping , Wang Meiyan , Zheng Wenyun , Ma Xingyuan 
Published: January 2025

AbstractProteolysis targeting chimeras (PROTACs) are pivotal in cancer therapy for their ability to degrade specific proteins. However, their non‐specificity can lead to systemic toxicity due to protein degradation in normal cells. To address this, we have integrated a nanobody into the PROTACs framework and leveraged the tumor microenvironment to enhance drug specificity. In this study, we engineered BumPeD, a novel bispecific nanobody‐targeted PROTACs‐like platform, by fusing two nanobodies with a Furin protease cleavage site (RVRR) and a degron sequence (ALAPYIP or KIGLGRQKPPKATK), enabling the tumor microenvironment to direct the degradation of intracellular proteins. We utilized KN035 and Nb4A to target PD‐L1 (programmed death ligand 1) on the cell surface and intracellular Survivin, respectively. In vitro experiments showed that BumPeD triggers Survivin degradation via the ubiquitin‐proteasome pathway, inducing tumor apoptosis and suppressing bladder tumor cell proliferation and migration. In vivo experiments further confirmed BumPeD's robust anti‐tumor efficacy, underscoring its potential as a precise protein degradation strategy for cancer therapy. Our platform provides a systematic approach to developing effective and practical protein degraders, offering a targeted theoretical basis and experimental support for the development of novel degradative drugs, as well as new directions for cancer therapy.