bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bifunctional Hexadentate Pyclen–Based Chelating Agent for Mild Radiofluorination in Aqueous Solution at Room Temperature with a Ga‐18F Ternary Complex
Authors: Dioury Fabienne , San Carine , Gnanalingam Gayathiri , Henoumont Céline , Rousselin Yoann , Haouz Ahmed , Shepard William , Hosten Benoît , Vijayakumar Kamsana , Laurent Sophie , Port Marc 
Published: September 2024

AbstractPositron Emission Tomography (PET) is used in oncology for tumor diagnosis, commonly relying on fluorine‐18 (18F) emission detection. The conventional method of 18F incorporation on to probes by covalent bonding is harsh for sensitive biomolecules, which are nonetheless compounds of choice for the development of targeted probes. This study explores gallium–18F (Ga18F) coordination, a milder alternative method occurring in aqueous media at the final stage of radiosyntheses. Pyclen‐based chelating agents were proposed to capture (GaF) species at room temperature and pH≥5 making the radiofluorination process compatible with heat‐ and acid‐sensitive biomolecules. Highly promising results were obtained with the PC2A–based chelating agent LH2 derived from the new bifunctional PC2A–OAE–NCS compound. The solid‐state structure of GaF(L) was elucidated by X‐ray diffraction and revealed an unconventional heptacoordination of Ga(III). A high radiochemical conversion (RCC) of 86 % was achieved at room temperature, in water at pH 5 within 20 minutes. Stability studies showed the robustness of the GaF(L) complex in aqueous media for at least one day and at least one hour for the radiolabeled analog Ga18F(L). These findings demonstrated that PC2A‐based compounds are chelating agents of choice for (Ga18F) species, suggesting a real technological breakthrough for PET imaging and precision medicine.
6‐Methoxy‐2‐Naphthoate as a Standard Chromophore for Chiroptical Studies by Fluorescence‐Detected Exciton‐Coupled Circular Dichroism
Authors: Nagase Yui , Naka Yoshiki , Nehira Tatsuo 
Published: September 2024

ABSTRACTThis study investigated the applicability of fluorescent chromophores for exciton‐coupled circular dichroism (ECCD) exploiting fluorescence‐detected circular dichroism (FDCD). FDCD had been previously reported useful in allowing the sensitive detection of ECCD in favorable conditions. However, fluorescence detection may prevent applications of the combined method especially when solutions are polarized in emission. Even without polarization of emission, FDCD deviates from circular dichroism (CD) in some cases when the fluorophore of interest interacts with nonfluorescent chromophore. Herein, it was confirmed that employing 6‐methoxy‐2‐naphthoate always yielded interpretable exciton‐coupled FDCD spectra even when coupling with nonfluorescent p‐substituted benzoates. The 6‐methoxy‐2‐naphthoate chromophore (6‐MN) is prescribed in special cases when only a small amount of sample is available for determining the absolute stereochemistry by the CD exciton chirality method observed by FDCD.
Assuring optimality in surrogate‐based optimization: A novel theorem and its practical implementation in pressure swing adsorption optimization
Authors: Rebello Carine Menezes , Costa Erbet Almeida , Sánchez Antonio Santos , Vides Fredy , Nogueira Idelfonso B. R. 
Published: September 2024

AbstractSurrogate‐based optimization has gained significant traction in several engineering fields, given its ability to handle complex systems without significant computational burdens. However, surrogate models are approximations and may have limitations, including the possibility of artificial minima. The main contribution of this work is the derivation of a robustness test that guarantees the optimality of surrogate‐based optimization. The derivation of this metric is based on the universal approximation theorem. The full framework proposed in this work is also composed by a sampling sizing methodology to randomly select samples within a feasible operating region (FOR) resulting from the optimization population, reducing the computational cost of the analysis and avoiding biases in the robustness calculation. The applicability and importance of this methodology are demonstrated through a case study of a complex chemical process—a pressure swing adsorption (PSA) unit—which presents a high computational cost to solve optimization problems. The results highlight the need and importance of evaluating the optimality of surrogate‐based optimization schemes.
Short‐Cut Nitrification–Denitrification Spatial Combination Technology for Treating High‐Concentration Nitrogen‐Containing Wastewater: Influence of pH and Carbon Source
Authors: Chen Shuhe , Gao Yiman , Wang Cheng , Ma Xuemin , Xi Beidou , Tan Wenbing 
Published: September 2024

ABSTRACTShort‐cut nitrification (SCN) and denitrification (DN) technology is an efficient method for treating high‐concentration nitrogen‐containing wastewater. However, controlling the reaction conditions in single‐reactor systems is difficult. In this study, SCN and DN were performed in separate reactors to investigate the influence of pH on SCN and the effect of carbon sources on DN. The results revealed that a combination of SCN and DN achieved a total nitrogen removal efficiency of 84%. Within a specific pH range (6.5–9.0), the accumulation of nitrite during SCN exhibited an initial increase, followed by a decrease, reaching a maximum at pH 8.5. In addition, this study established two experimental groups to investigate the effect of carbon sources on DN. The blank group (without the addition of a carbon source) exhibited a chemical oxygen demand (COD) concentration of 5.1 mg/L, whereas the control group (sodium acetate used as the carbon source) exhibited a COD concentration of 118.6 mg/L. These results indicate a substantial improvement in DN efficiency with the addition of a carbon source.
Synthesis and Biological Evaluation of N‐(1H‐Indol‐6‐ylmethyl)benzenesulfonamide Analogs as Metabolic Inhibitors of Mitochondrial ATP Production in Pancreatic Cancer Cells
Authors: Brandeburg Zachary C. , Waheed Sakariyau A. , Derewonko Carina A. , Dunn Caroline E. , Pfeiffer Ethan C. , Flusche Ann Marie E. , Sheaff Robert J. , Lamar Angus A. 
Published: September 2024

AbstractA library of 26 indolyl sulfonamides and 12 amide and ester analogs based upon the 6‐indolyl framework has been synthesized in an effort to target pancreatic cancer. The cytotoxicity of the indolyl sulfonamide compounds has been determined using a traditional (48‐h compound exposure) assay against 7 pancreatic cancer cell lines and 1 non‐cancerous cell line. The potential role of the compounds as metabolic inhibitors of ATP production was evaluated using a rapid screening (2‐h compound exposure) assay developed within our laboratories. The IC50 values of the active compounds were determined using the rapid assay and six compounds displayed an IC50 value <5 μM against one or more pancreatic cancer cell lines. The ester analogs also display activity as potential metabolic inhibitors of ATP production with four of the six compounds displaying an IC50 value <5 μM against one or more pancreatic cancer cell lines.
Synthesis and Structure‐Activity Relationship Analysis of 2‐Substituted‐1,2,4‐Triazolo[1,5‐a]Pyrimidin‐7‐Ones and their 6‐Carboxylate Derivatives as Xanthine Oxidase Inhibitors
Authors: Luna Giuseppe , Dolzhenko Anton V. , Mancera Ricardo L. 
Published: September 2024

AbstractHyperuricemia is characterised by high blood levels of uric acid, and it can degenerate into gout when monosodium urate crystals precipitate in joints and other tissues. Uric acid is produced during the catabolism of xanthine by the enzyme xanthine oxidase (XO), which is the primary therapeutic target in gout treatment. Current XO inhibitors approved to treat gout, such as allopurinol and febuxostat, suffer from serious adverse effects, creating the need for new drug molecules. Three libraries comprising 75 purine analogues were designed using a 1,2,4‐triazolo[1,5‐a]pyrimidine scaffold, synthesised and tested in vitro as potential XO inhibitors. The screening identified that 23 compounds exhibited better inhibitory activity than allopurinol, with 2‐(4‐isopropoxyphenyl)‐7‐oxo‐4,7‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidine‐6‐carboxylic acid being 23 times more potent. Enzyme kinetics studies and molecular docking simulations were performed on the most active compounds to identify the mechanism of action and intermolecular interactions between the active site of XO and the inhibitors. The most potent compounds exhibited a mix‐type inhibition mechanism and were predicted to interact with the same amino acid residues as allopurinol. These novel purine analogues are promising hits for further new lead development among purine‐like drug XO inhibitors with therapeutic potential in the treatment of hyperuricemia and associated diseases.
Genotype‐by‐environment interaction for wheat falling number performance due to late maturity α‐amylase
Authors: Fairlie William , Hughes David , Cullis Brian , Edwards James , Kuchel Haydn 
Published: September 2024

AbstractLate maturity α‐amylase (LMA) is known to reduce falling number (FN) in wheat (Triticum aestivum L.), similar to the effect of preharvest sprouting (PHS) and frost, which can result in grain parcels testing below trading thresholds. Hence, Grains Australia mandates that new Australian wheat cultivars must be at a low risk of LMA expression to receive a milling classification. The multi‐environment trial dataset contained 34 environments not affected by PHS or frost and was analyzed using a five‐factor analytic linear mixed model. Factor 1 accounted for 71.4% of the genetic variation in FN, factor 2 accounted for 8.8%, factor 3 accounted for 5.7%, factor 4 accounted for 3.5%, and factor 5 accounted for 3.1%. The interaction class (iClass) summary method was used to assist in the characterization of crossover genotype‐by‐environment interaction (G × E). Poorer FN performance was best observed in the “ppp” iClass, which indicated a minor, but significant, response to crossover G × E. The environment loadings for factor 1 were associated with mild ripening conditions, characterized by fewer days above 28°C, increased rainfall, and increased variation in daily maximum temperature and relative humidity. Factors 2 and 3 were associated with “cool shock” conditions, where the maximum temperature for 1 day was above 24°C followed by at least three consecutive days below 18°C during the grain fill period. This study provides further evidence of the crossover G × E present for FN associated with LMA, poor FN performance in genotypes that express higher levels of LMA, and the environmental conditions that contribute to LMA expression.
Seamless healthcare access: An efficient solution to access medical data using Internet of Things based multimedia communication
Authors: Madan Kumar C , Obaidat Mohammad S. , Al‐Shehari Taher , Kadrie Mohammed , Alfakih Taha , Alsalman Hussain , Amin Ruhul 
Published: September 2024

SummaryIn the present‐day scenario, multimedia technology serves as a vital medium for communication, facilitating the exchange of information among individuals across various sectors such as education, mass media, banking, and healthcare. In our proposal for a centralized system to store patient data, we aim to enhance healthcare services by enabling doctors to access the medical history of every patient seamlessly. To ensure hassle‐free services, we have devised a for authenticated key sharing protocol leveraging cryptographic hash functions for the Internet of Things healthcare system. A key advantage of our approach is that patients need not undergo medical tests repeatedly, unless it is deemed necessary due to diagnostic requirements. We have provided informal proof of the protocol's ability to safeguard against security threats. Furthermore, we have conducted simulations using the Scyther simulation tool to verify the strength of our protocol, affirming its safety and effectiveness. Our performance analysis section demonstrates significantly improved complexities compared to existing protocols, further emphasizing the reliability and efficiency of our proposed solution.
Outcomes of multi‐hole self‐expandable metal stents versus fully covered self‐expandable metal stents for malignant distal biliary obstruction in unresectable pancreatic cancer
Authors: Takeda Tsuyoshi , Sasaki Takashi , Okamoto Takeshi , Mie Takafumi , Sato Yoichiro , Maegawa Yuri , Hirai Tatsuki , Suzuki Yukari , Furukawa Takaaki , Ozaka Masato , Sasahira Naoki 
Published: September 2024

AbstractObjectivesThe multi‐hole self‐expandable metal stent (MHSEMS) is a novel SEMS with multiple small side holes on the covering membrane to prevent stent migration while minimizing tumor ingrowth. This study aimed to evaluate the clinical outcomes of MHSEMS in comparison with conventional covered SEMS (c‐CMS).MethodsConsecutive patients with unresectable pancreatic cancer who underwent initial SEMS placement (MHSEMS or c‐CMS) for malignant distal biliary obstruction were analyzed. Technical success, clinical success, causes of recurrent biliary obstruction (RBO), non‐RBO adverse events, time to RBO (TRBO), and endoscopic reintervention were compared between groups.ResultsA total of 65 patients were included (MHSEMS: 27, c‐CMS: 38). The technical success, clinical success, and non‐RBO adverse event rates were similar between groups. Although stent migration was less frequently observed in the MHSEMS group (0% vs. 17.6%, p = 0.032), overall RBO rates were similar between groups (53.8% vs. 55.9%, p > 0.99). The most common cause of RBO within 14 days in the MHSEMS group was non‐occlusion cholangitis. Median TRBO was significantly shorter in the MHSEMS group (101 vs. 227 days, p = 0.030) and MHSEMS was an independent predictor for shorter TRBO in multivariate analysis (hazard ratio, 2.27; 95% confidence interval, 1.06–4.86; p = 0.034). Outcomes after endoscopic interventio were not significantly different between groups. Stent removal was successful in all attempted cases in both groups.ConclusionsMHSEMS was associated with a significantly shorter TRBO compared to c‐CMS. Further modifications of the present MHSEMS may be needed.
Perforation of the bile duct caused by endoscopic papillary large balloon dilation: A case report
Authors: Sato Yoichiro , Okano Naoki , Hoshi Kensuke , Iwata Shuntaro , Kimura Yusuke , Iwasaki Susumu , Takuma Kensuke , Igarashi Yoshinori , Matsuda Takahisa 
Published: September 2024

AbstractThe patient was a woman in her 70s with multiple large biliary stones. Lithotripsy was attempted after endoscopic papillary large balloon dilatation. During balloon dilation, inflator resistance, and body movement due to patient pain were observed, and maximum pressure was required for the disappearance of the balloon waist. A bile duct perforation was observed when the balloon was deflated. Computed tomography after endoscopic retrograde cholangiopancreatography showed free air from the duodenal peritoneum to the right retroperitoneum. The patient was conservatively treated with nasobiliary drainage. Endoscopic large balloon dilatation is useful for large bile duct stones that are difficult to remove using endoscopic sphincterotomy alone or endoscopic papillary balloon dilation. Perforation is a potentially fatal adverse event; therefore, imaging of the intrapancreatic bile ducts should be performed before endoscopic retrograde cholangiopancreatography and attention should be paid to the balloon dilation method.
Ventral body wall closure: Mechanistic insights from mouse models and translation to human pathology
Authors: Formstone Caroline , Aldeiri Bashar , Davenport Mark , Francis‐West Philippa 
Published: September 2024

AbstractThe ventral body wall (VBW) that encloses the thoracic and abdominal cavities arises by extensive cell movements and morphogenetic changes during embryonic development. These morphogenetic processes include embryonic folding generating the primary body wall; the initial ventral cover of the embryo, followed by directed mesodermal cell migrations, contributing to the secondary body wall. Clinical anomalies in VBW development affect approximately 1 in 3000 live births. However, the cell interactions and critical cellular behaviors that control VBW development remain little understood. Here, we describe the embryonic origins of the VBW, the cellular and morphogenetic processes, and key genes, that are essential for VBW development. We also provide a clinical overview of VBW anomalies, together with environmental and genetic influences, and discuss the insight gained from over 70 mouse models that exhibit VBW defects, and their relevance, with respect to human pathology. In doing so we propose a phenotypic framework for researchers in the field which takes into account the clinical picture. We also highlight cases where there is a current paucity of mouse models for particular clinical defects and key gaps in knowledge about embryonic VBW development that need to be addressed to further understand mechanisms of human VBW pathologies.
Eating Disorders in Children, Adolescents, and Young Adults During and After the COVID‐19 Pandemic: A Danish Nationwide Register‐Based Study
Authors: Sonne Heidi , Kildegaard Helene , Strandberg‐Larsen Katrine , Rasmussen Lotte , Wesselhoeft Rikke , Bliddal Mette 
Published: September 2024

ABSTRACTObjectiveTo assess incidence rates of clinically diagnosed eating disorders among Danish youth before, during, and after the COVID‐19 pandemic.MethodThis study used a population‐based time series analysis with individual‐level data from Danish healthcare registries. Participants included all Danish individuals aged 6–24 years from January 1, 2015, to December 31, 2023. Monthly incident cases of any eating disorder, anorexia nervosa, and bulimia nervosa were analyzed using interrupted time‐series analysis. We estimated the cumulative number of excess cases of incident eating disorder diagnoses and risk ratios (RR) associated with the pandemic and post‐pandemic periods compared with pre‐pandemic predictions.ResultsThe study population encountered a mean of 1,310,542 individuals during the study period. The study included 11,693 individuals diagnosed with an eating disorder, median age 17 (IQR 14–20 years). Incident cases increased during the pandemic (RR 1.29, 95% CI 1.15–1.45) and normalized post‐pandemic (RR 1.07, 95% CI 0.91–1.25) compared with pre‐pandemic predictions. Similar patterns were seen for anorexia and bulimia. Increases were significant for ages 13–16 (RR 1.19, 95% CI 1.02–1.38), 17–19 (RR 1.51, 95% CI 1.25–1.83), and 20–24 (RR 1.35, 95% CI 1.12–1.64). Post‐pandemically, a continued increase was observed only for ages 20–24 (RR 1.32, 95% CI 1.02–1.71).ConclusionsThe study documents a temporary increase in diagnosed eating disorders among Danish youths during the COVID‐19 pandemic, with rates later returning to pre‐pandemic levels. These results provide insights into the pandemic's impact on adolescents and youths.
Biotic and abiotic factors associated with genome size evolution in oaks
Authors: Moreira Xoaquín , Hervella Pablo , Lago‐Núñez Beatriz , Galmán Andrea , de la Fuente María , Covelo Felisa , Marquis Robert J. , Vázquez‐González Carla , Abdala‐Roberts Luis 
Published: September 2024

AbstractThe evolutionary processes that underlie variation in plant genome size have been much debated. Abiotic factors are thought to have played an important role, with negative and positive correlations between genome size and seasonal or stressful climatic conditions being reported in several systems. In turn, variation in genome size may influence plant traits which affect interactions with other organisms, such as herbivores. The mechanisms underlying evolutionary linkages between plant genome size and biotic and abiotic factors nonetheless remain poorly understod. To address this gap, we conducted phylogenetically controlled analyses testing for associations between genome size, climatic variables, plant traits (defenses and nutrients), and herbivory across 29 oak (Quercus) species. Genome size is significantly associated with both temperature and precipitation seasonality, whereby oak species growing in climates with lower and less variable temperatures but more variable rainfall had larger genomes. In addition, we found a negative association between genome size and leaf nutrient concentration (found to be the main predictor of herbivory), which in turn led to an indirect effect on herbivory. A follow‐up test suggested that the association between genome size and leaf nutrients influencing herbivory was mediated by variation in plant growth, whereby species with larger genomes have slower growth rates, which in turn are correlated with lower nutrients. Collectively, these findings reveal novel associations between plant genome size and biotic and abiotic factors that may influence life history evolution and ecological dynamics in this widespread tree genus.
Seismic response analysis of monopile wind turbine under obliquely incident seismic waves
Authors: Wang Piguang , Lu Haiqiang , Gao Zhidong , Zhao Mi , Du Xiuli 
Published: September 2024

AbstractWhen the seismic source is shallow or the wind turbine structure is moderately distant from the epicenter, it is necessary to consider the oblique incidence of planar body waves. To investigate the dynamic response law of wind turbine structures under oblique seismic wave incidence, this study establishes an integrated approach for analyzing the dynamic response of wind turbine structures considering oblique seismic wave incidence, incorporating one‐dimensional time‐domain site response analysis and viscoelastic artificial boundaries. By using the above seismic input method, the dynamic response law of a 5 MW monopile wind turbine under the obliquely incident P and SV waves are analyzed in detail when different characteristics, incident angles, propagation angles and vibration directions of waves are considered. Numerical studies show that the above factors have an important influence on the seismic response of the wind turbine structure.