bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Transdiagnostic Childhood Externalizing Pathology Within an Electronic Medical Records Database and Application to the Analysis of Rare Copy Number Variation
Authors: Reddy India A. , Han Lide , Sanchez‐Roige Sandra , Niarchou Maria , Ruderfer Douglas M. , Davis Lea K. 
Published: January 2025

ABSTRACTExternalizing traits and behaviors are broadly defined by impairments in self‐regulation and impulse control that typically begin in childhood and adolescence. Externalizing behaviors, traits, and symptoms span a range of traditional psychiatric diagnostic categories. In this study, we sought to generate an algorithm that could reliably identify transdiagnostic childhood‐onset externalizing cases and controls within a university hospital electronic health record (EHR) database. Within the Vanderbilt University Medical Center (VUMC) EHR, our algorithm identified cases with a clinician‐validated positive predictive value of 90% and controls with a negative predictive value of 88%. In individuals of genetically defined European ancestry (CEU‐clustered; Ncase = 487, Ncontrol = 5638), case status was significantly associated with psychiatric comorbidity and with elevated externalizing polygenic scores (OR: 1.20; 95% CI: 1.09–1.33; p = 1.14 × 10−3; based on published genome‐wide association data). To test whether our cohort definitions could be applied to generate novel genetic insights, we examined rare (allele frequency < 0.5%) copy number variation. An association (OR: 9.70; CI: 3.24–29.0) was identified in the CEU‐clustered cohort on chromosome 2 (chr2: 45,408,678–45,551,530; duplication), although the statistical strength of this association was modest (p = 0.052). We also examined the role of an externalizing burden score based on the number of externalizing diagnoses present in cases and found similar results to our case–control analysis. This analysis identified several other statistically significant CNV region associations. This study provides a framework for identifying childhood externalizing case–control cohorts within an EHR. Future work should validate this framework within other health systems. A broadly applicable algorithm, like this one, may allow for detection of rare outcomes or outcomes in populations historically excluded from genomic research through meta‐analysis of data across health care systems.
Detecting Optical Correlations via Local Photon Subtraction
Authors: Li Huihui , Luo Shunlong , Zhang Yue 
Published: January 2025

AbstractDetecting and characterizing correlations are common subjects in quantum information theory, which have recently become increasingly essential in various quantum information tasks. A quantifier of correlations is introduced for two‐mode Bosonic states defined as the difference between global and local coherence caused by local photon subtraction. The fundamental properties and physical significance of this quantifier are revealed. Additionally, the amount of correlations is analyzed in the output states resulting from input product states through bilinear interactions. The quantifier of correlations is illustrated using typical two‐mode Bosonic states and its effectiveness is compared with other existing measures of correlations, such as entanglement and quantum discord.
Segregation of Constitutional Isomers of Some Aromatic Amines Exploiting the Changes of Photo‐Luminescence Behaviour of Isoreticular Metal‐Organic Frameworks
Authors: Das Pintu , Dinda Susanta , Kumar Rakesh , Ghoshal Debajyoti 
Published: January 2025

AbstractThree different two dimensional Cd(II)‐based metal−organic frameworks (MOFs) have been synthesized by utilizing same N,N′‐donor ligand and three different functionalized dicarboxylate linkers namely isophthalate, 5‐nitroisophthalate and 5‐hydroxyisophthalate for compound 1, 2 and 3 respectively. The compounds that are isoreticular bi‐walled 2D frameworks, show dual fluorescence emission spectra for their π‐π* and n‐π* excitation. Compound 1 is consists of unsubstituted bridging isophthalate whereas 2 and 3 are made with bridging isophthalate that are substituted by electron withdrawing –NO2 group and electron donating –OH group respectively. These different electronic environments in three MOFs are found effective to respond differently towards the constitutional isomers of aromatic amines having suitable electronic environment. Compound 1 responses towards non‐polar –CH2 group containing picolylamine moieties, showing maximum fluorescence emission enhancement for 2‐picolylamine in comparison to 3‐ and 4‐ isomer of picolylamine derivates. Compound 2, consisting electron withdrawing –NO2 group, responses more significantly towards the electron rich phenylenediamines showing maximum quenching in case of m‐phenylenediamine compared to their ortho and para isomers. The change of functionalisation from –NO2 to –OH in 3, helps to detect the electron deficient aminopyridines; where the maximum fluorescence quenching has been observed in presence of 3‐aminopyridine in contrast to its other isomers.
Gender Equality in Sustainability Reporting: A Systematic Literature Review
Authors: Ojeda Lucy , Ginieis Matías , Papaoikonomou Eleni 
Published: January 2025

ABSTRACTGender equality is one of the Sustainable Development Goals and companies are key actors that need to disclose any progress made towards this goal. But we lack a clear understanding of the specifics of gender equality reporting in previous empirical research. We conducted a systematic literature review of empirical articles until year 2022 in the Web of Science and Scopus databases following the PRISMA guidelines. We found that most studies that examine gender equality reporting in companies usually do not follow a specific set of reporting guidelines and that the indicators employed are often limited to diversity in the highest governance body and committees, women in leadership and workforce gender representation. Also, we observed a lack of methodological diversity in previous studies. As a result, we have identified several gaps and propose various research lines to further advance research in the field. Additionally, we suggest policy and managerial implications to accelerate the growth of gender‐sensitive reporting.
Lignin Tandem Catalytic Transformation to Phenolic Aryl Acrylic Esters as Plant Growth Regulators
Authors: Luo Bingbing , Zhang Chaofeng , Zhang Huijun , Su Kaiyi , Jiang Bo , Cheng Jinlan , Jin Yongcan 
Published: January 2025

AbstractBased on the concept “Derived from Agroforestry, belong to (Servicing) Agroforestry”, we herein achieved the tandem catalytic transformation of lignin to phenolic aryl acrylic esters, which can work as plant growth regulators. The transformation involves the first catalytic oxidative fractionation (COF) of lignin into aromatic aldehydes, which can further undergo Knoevenagel condensation with acids/esters with active Cα−H to generate the phenolic aryl acrylic esters. For the first lignin transformation, the Cu salt (CuSO4) in a 7.5 wt % NaOH aqueous solution could achieve the selective cleavage of lignin C−C bonds to provide a 25.0 wt % yield of aromatic aldehydes. Subsequently, the unique basic sites of the self‐assembled hybrid system of CeO2 and 2‐cyanopyridine could overcome the limitations of traditional homogeneous/heterogeneous bases and facilitate the condensation between phenolic‐containing aromatic aldehydes and malonic ester to aryl acrylic esters. Furthermore, the lignin‐based phenolic aryl acrylic esters showed different plant growth regulation activity based on the various structural groups for peppermint seed cultivation. The above results can expand the high‐value utilization of lignin in the agroforestry field.
Quartz Oscillator Based Complex Capacitive Sensor for Nondestructive Sensing Inside RC Structures
Authors: Yokoyama Taketeru , Takahashi Ryosuke , Iwamoto Keigo , Sohgawa Masayuki , Abe Takashi 
Published: January 2025

ABSTRACTThis research developed a complex capacitance sensor using a quartz oscillator for non‐invasively imaging of a rebars position in reinforced concrete structures. The use of different electrode structures and a floating electrode located on the backside allowed for control of the sensing depth. This technology is expected to realize a simpler maintenance and management process for infrastructure quality.
Physiologically Based Pharmacokinetic Modeling and Simulation to Support a Change in the FDA‐Labeled Dosing Frequency of RHB‐105 Low‐Dose Rifabutin Triple Therapy for Helicobacter pylori Eradication
Authors: Vakil Nimish , Howden Colin W. , Shah Shailja C. , Chen Kuan‐Fu , Offman Elliot , Almenoff June S. , Sheldon Kely L. 
Published: January 2025

AbstractPatient adherence is vital for Helicobacter pylori eradication. Simplifying therapy dosing schedules may promote patient adherence, enhance treatment success rates, and help mitigate the development of antibiotic resistance. We aimed to assess plasma and intragastric rifabutin, amoxicillin, and omeprazole concentrations comparing two dosing schedules of RHB‐105 (every 8 h and a more flexible three‐times daily schedule, at 8 a.m., 12 p.m., and 6 p.m.) using a validated physiologically based pharmacokinetic (PBPK) model. Leveraging in vitro and in vivo information on the pharmacokinetics of the three components of RHB‐105, we developed mechanistic absorption PBPK models to predict plasma and intragastric concentration–time profiles for each component. There were only negligible differences in the area under the concentration–time curves (AUC) for plasma and the intragastric compartment, and maximal concentration (Cmax) with only up to a 1.1‐fold difference for rifabutin, amoxicillin, and omeprazole between dosing schedules. Overlapping 90% confidence intervals for both AUC and Cmax support that overall exposures are comparable regardless of dosing every 8 h or three‐times daily for all three drugs. Drug exposure was highly similar for rifabutin, amoxicillin, and omeprazole with each dosing schedule. Novel mechanistic absorption PBPK modeling supports the approval and use of the more flexible dosing schedule for RHB‐105, simplifying patient experience and potentially increasing adherence.
Risk of Acute Cholecystitis Based on Combination of Patient Age, Patient Sex, Leukocytosis, and Sonographic Murphy Sign
Authors: Patel Anika G. , Chen Lea , Young Scott W. , Dahiya Nirvikar , Zhang Nan , Patel Maitray D. 
Published: January 2025

ObjectivesTo combine sonographic Murphy sign (SMS) with clinical parameters to effectively stratify patients into risk groups for acute cholecystitis.MethodsConsecutive emergency department patients from April 1, 2019 to August 31, 2022 with possible acute cholecystitis were grouped using patient age, sex, and white blood cell count to determine the rate of acute cholecystitis found in subgroups. Three distinct clinical risk groups were established and then regrouped by prospective assessment of SMS into three non‐imaging risk groups. Differences in the rate of acute cholecystitis for clinical parameters, clinical risk groups, and non‐imaging risk groups were statistically analyzed.ResultsOf 1231 patients (mean [SD] age, 51.2 [19.5]; 476 [38.7%] male), 156 had acute cholecystitis (mean [SD] age, 62.0 [15.4]; 85 [54.5%] male). Rates differed based on sex (9.4% female vs 17.9% male, P < .001), age group (1.8% for patients <30 years, 9.0% for patients 30–59 years, 22.3% for patients ≥60 years; P < .001), and white blood cell count (23.1% elevated vs 6.6% not elevated; P < .001). The low, average, and high non‐imaging risk groups had acute cholecystitis rates of 1.8%, 14.0%, and 43.1%, respectively. Relative risk (95% CI) for the low non‐imaging group compared with others was 0.07 (0.04, 0.12; P < .001); relative risk for the high non‐imaging risk group compared with others was 7.05 (5.32, 9.43; P < .001).ConclusionsSonographic Murphy sign assessment combined with patient age, sex, and white blood cell count effectively stratifies acute care patients into distinct acute cholecystitis risk groups.
Pressure‐Synergistic Ligand Engineering Toward Enhanced Emission and Remarkable Piezochromism in Cadmium Sulfide Nanocrystals
Authors: Wang Feng , Lv Pengfei , Yang Songrui , Yang Jiayi , Xiao Guanjun , Zou Bo 
Published: January 2025

AbstractChallenge of passivating defects to harvest the high‐efficiency emission in semiconductor materials significantly limit their practical applications in solid‐state lighting. Here, a robust strategy is developed through pressure‐synergistic ligand engineering to achieve enhanced emission and remarkable piezochromism in the synthesized cadmium sulfide (CdS) nanocrystals (NCs) that exhibits both band‐edge (BE) emission and strong defect emission. With increasing pressure, the CdS NCs experienced a piezochromism from orange emission to white emission. Note that by introducing additional ligand of cadmium oleate, a marked transition is achieved in emission color from orange to blue–violet with high color purity of 71.4% under high pressure. Furthermore, through the pressure‐enhanced defect passivation with capping ligand, the CdS NCs realized a considerable BE emission enhancement, accompanied by the gradually decreased defect emission. In situ high‐pressure experiments and first‐principles calculations indicate that the interaction between ligand and CdS NCs is indeed enhanced under high pressure, thus facilitating the defects passivation and ultimately leading to the observed piezochromism and emission enhancement. This study endows high pressure as an efficient tool to enhance the surface defect passivation, paving the way for precise control over piezochromism and high‐efficiency emission through materials design.
A hydrogel miscible azelaic acid‐ionic liquids for the treatment of acne vulgaris: Enhanced solubility and skin retention
Authors: Fang Zhezheng , Zheng Xianzi , Ma Yanyun , Wu Wei , Lu Yi 
Published: January 2025

AbstractAzelaic acid (AzA) is a natural dicarboxylic acid used to treat acne vulgaris but is greatly limited by poor aqueous solubility. This study aims to enhance the solubility and skin retention of AzA by ionic liquids (ILs). AzA‐ILs were synthesized by a decomposition reaction with amine compounds. AzA‐ILs synthesized with Tris‐(hydroxymethyl)‐aminomethane ([AzA][Tris]) and meglumine ([AzA][Meg]) at a molar ratio of 1:2 were liquid at room temperature and miscible with water. 1H‐NMR and FT‐IR confirmed the synthesis of AzA‐ILs. [AzA][Tris] got higher transdermal transport and skin retention of AzA than [AzA][Meg]. ZEN has a lower viscosity and better spreadability than Carbomer and thus was adopted as the gel matrix. [AzA][Tris] was also miscible with the ZEN matrix at any concentration. Hydrogels containing 10% (w/w) AzA exhibited the highest transdermal transport and skin retention among hydrogels with higher or lower concentrations of AzA. AzA‐IL hydrogel (10%, w/w) obtained similar therapeutic efficacy but lower skin irritation than the Finacea® (a marketed hydrogel of 15% AzA). In conclusion, ILs greatly enhanced the aqueous solubility of AzA to develop transparent hydrogel and skin retention to achieve good treatment for acne vulgaris.
Fixed‐Angle Surface Plasmon Resonance Thermometer for Accurate Temperature Monitoring
Authors: Garcia‐Ortiz Cesar E. , Peña‐Gomar Marycarmen , López Rubén , Galaviz‐Mosqueda Alejandro , Coello Victor 
Published: January 2025

ABSTRACTIn this study, we introduce a novel optical thermometer utilizing surface plasmon resonance for single‐wavelength, real‐time measurements, eliminating the need for extensive data analysis. We define operational temperature intervals and assess sensitivity to temperature variations in water within each interval, with a maximum sensitivity of approximately −1.3% per°C at an incidence angle of 66.5°. This approach offers potential integration with existing biological or chemical sensors, facilitating real‐time monitoring of both endothermic and exothermic reactions. Our results show that the thermometer is highly sensitive and accurate within a temperature range of 15°C to 45°C, with an RMSE of 0.02°C during the cooling process. Experimental data align closely with numerical calculations. Additionally, thermographic measurements provided visual and quantitative data on the temperature distribution on the sensing surface, allowing for a better understanding of the thermal behavior of the sensor. The primary advantage of this device is its ability to provide instantaneous temperature readings, making it particularly suitable for integration with existing biological and chemical sensors.
Symposium zur organischen Synthese im Südwesten
Authors: Richert Clemens 
Published: January 2025

AbstractAm 11. Oktober 2024 fand der 27. Tag der Organischen Chemie an der Universität Stuttgart (Tocus) statt. Die Veranstaltung bot ausgewählten Promovierenden aller universitären Chemiestandorte in Baden‐Württemberg ein Forum, ihre Ergebnisse zu präsentieren; zwölf hielten einen Vortrag. Die Veranstaltung gipfelte im Festvortrag von Burkhard König zu besseren Synthesen mit Licht.
20. Deutscher Fluortag in Schmitten
Authors: Pérez‐Bitrián Alberto 
Published: January 2025

AbstractAlle zwei Jahre treffen sich die Fluorchemiker:innen zum Deutschen Fluortag – in diesem Jahr zum zwanzigsten Mal. Vom 23. bis 25. September 2024 versammelten sich in Schmitten im Taunus etwa 90 Wissenschaftler:innen aus Akademia und Industrie. 28 Doktorand:innen stellten ihre Ergebnisse vor.
Gender Equality and Green Entrepreneurship in Farms
Authors: Fertő Imre , Bojnec Štefan 
Published: January 2025

ABSTRACTGender dynamics in agricultural sustainability, particularly within the framework of Agri‐Environmental‐Climate‐Schemes (AECS), play a critical role in advancing green entrepreneurship. This study explores gender‐based differences in the adoption and intensity of AECS practices among Hungarian farms, emphasising the implications for gender equality in sustainable agricultural development. Utilising the Hungarian Farm Accountancy Data Network panel data from 2014 to 2021, we apply Blinder‐Oaxaca and Recentered Influence Function decomposition models to dissect disparities in AECS engagement between male‐ and female‐headed farms. Findings indicate that, while male‐headed farms receive greater AECS subsidies due to larger economic scales and resource availability, female‐headed farms demonstrate comparable levels of AECS intensity when controlled for these factors. These insights highlight the potential for gender‐sensitive policies within the European Union's Common Agricultural Policy framework to empower female farmers in green entrepreneurship and sustainable practices. The study's findings contribute to a broader understanding of gender's influence on green entrepreneurship and sustainable development in agriculture, with significant implications for policy frameworks that support inclusive and climate‐resilient agricultural practices globally.
Optical Bionanosensors for Sepsis Diagnostics
Authors: Derichsweiler Christina , Herbertz Svenja , Kruss Sebastian 
Published: January 2025

AbstractSepsis is a global health challenge, characterized by a dysregulated immune response, leading to organ dysfunction and death. Despite advances in medical care, sepsis continues to claim a significant toll on human lives, with mortality rates from 10–25% for sepsis and 30–50% for septic shock, making it a leading cause of death worldwide. Current diagnostic methods rely on clinical signs, laboratory parameters, or microbial cultures and suffer from delays and inaccuracies. Therefore, there is a pressing need for novel diagnostic tools that can rapidly and accurately identify sepsis. This review highlights advances in biosensor development that could ultimately lead to faster and more accurate sepsis diagnostics. The focus is on nanomaterial‐based optical approaches that promise rapid diagnostics without the need for large equipment or trained personnel. An overview of sepsis is provided, highlighting potential molecular targets and the challenges they present for assay development. The requirements for an ideal point‐of‐care test (POC) are discussed, including speed, simplicity, and cost‐effectiveness. Different nanomaterials suitable for various optical detection methods are reviewed and innovative nanosensors are discussed for sepsis diagnostics, focusing on chemical design and approaches to increase selectivity by multiplexing.
Amphibious Soft Robots Based on Programmable Actuators Fabricated by Brushing Chinese Ink on Paper
Authors: Li Haoyao , Wang Yubo , Luo Zhiling , Lin Jian , Qian Yongqiang , Zhang Wei , Chen Luzhuo 
Published: January 2025

AbstractSoft robots based on actuators that can work in both on‐ground and on‐water situations are environmentally adaptable and can accomplish tasks in complex environments. However, most current amphibious actuators need external stimuli to move on water and require complex preparation processes. Herein, amphibious Ink‐paper/polyethylene programmable actuators and robots are proposed, which are fabricated by rapidly brushing Chinese ink on paper. The actuator can bend on the ground and move autonomously on the water. On one hand, the actuator shows a maximum bending curvature of 2.66 cm−1 under near‐infrared light, and the actuation performance can be programmed by ink concentration. Moreover, actuators with pen‐brushed information can be shape‐programmed for dynamic information display. On the other hand, the actuator can autonomously move on the water by using Chinese ink as Marangoni fuel. The maximum moving velocity is 4.73 cm s−1. When the ink is saturated in the water, the actuator can further be driven by an infrared laser. Finally, three soft robots with diverse programmable amphibious motions are designed. Both the crawling/bending motion on the ground and autonomous linear/rotary movement on the water can be programmed by altering actuator structures. This research will provide new inspirations for next‐generation amphibious actuators and soft robots.
Porphyrin‐Based Covalent Organic Polymer Wrapped MWCNT Electrodes under Moderate Salt Concentration for Super‐Stable Aqueous Sodium‐Ion Intercalated Sustainable Supercapacitor
Authors: Tasleem Mohammad , Ahmad Ikrar , Sankar Muniappan 
Published: January 2025

AbstractTo rival commercial organic electrolytes, it is important to focus on safe, cheap aqueous electrolytes with lower salt concentration (≈5.0 m) and a wider electrochemical stable potential window (ESPW). This study reports the facile synthesis of porphyrin‐based covalent organic polymers (PTZ‐COP, CBZ‐COP, and TPA‐COP) through a one‐pot aromatic electrophilic polycondensation reaction between pyrrole and monomeric aldehydes (PTZ‐CHO, CBZ‐CHO and TPA‐CHO). To enhance conductivity, these covalent organic polymers (COPs) were noncovalently wrapped on multiwall carbon nanotubes (MWCNTs), forming MWCNT@PTZ‐COP, MWCNT@CBZ‐COP and MWCNT@TPA‐COP. Among all, phenothiazine‐based COPs wrapped on MWCNT viz. MWCNT@PTZ‐COP stands out, exhibiting notable surface area and redox‐active moieties with high heteroatom (N, S) contents in the framework. These properties contribute to its superior performance in the form of an electrochemical double‐layer capacitor (EDLC) and pseudocapacitor. In the three‐electrode, the MWCNT@PTZ‐COP achieves a wider ESPW of 2.2 V, demonstrates a remarkable specific capacitance of 292.7 F g−1 along with an energy density 196.8 Wh kg−1 and power density of 752 W kg−1, at a current density of 0.7 A g−1 in 5 m NaClO4. As‐designed symmetric supercapacitor cell of MWCNT@PTZ‐COP demonstrates an impressive specific capacitance of 55.5 F g−1 and energy density 37.3 Wh kg−1, respectively. Additionally, it exhibits a high areal capacitance of 46.4 mF cm−2 in 5 m NaClO4. Moreover, it exhibits outstanding 100% capacitance retention after running 20 000 GCD cycles at 3.2 A g−1. This system demonstrates the highest cell voltage for a porphyrin‐based COPs aqueous symmetric supercapacitor with a high energy density and stability.