bluuebunny/crossref_metadata_2025_split huggingface dataset:
Manganese‐catalyzed Efficient Synthesis of N‐heterocycles and Aminoketones Using Glycerol as a C3 Synthon
Authors: Wei Zeyuan , Ke Zhuofeng , Wang Yujie , Liu Qiang 
Published: January 2024

AbstractGlycerol is one of the important biomass‐derived feedstocks and the high‐value utilizations of glycerol have attracted much attentions in recent years. Herein, we report a manganese catalyzed dehydrogenative coupling of glycerol with amines for the synthesis of substituted 2‐methylquinoxalines, 2‐ethylbenzimidazoles, and α‐aminoketones without any external oxidant. In these reactions, NHC‐based pincer manganese complex featuring a pyridine backbone displayed high catalytic activity and selectivity, in which hydrogen and water were produced as the only by‐products using glycerol as a C3 synthon.
Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations
Authors: Shaaban Tamara , Réal Florent , Maurice Rémi , Vallet Valérie 
Published: January 2024

AbstractThis study explores the distinctive behavior of protactinium (Z=91) within the actinide series. In contrast to neighboring elements like uranium or plutonium, protactinium in the pentavalent state diverges by not forming the typical dioxo protactinyl moiety PaO2+ in aqueous phase. Instead, it manifests as a monooxo PaO3+ cation or a Pa5+. Employing first‐principle calculations with implicit and explicit solvation, we investigate two stoichiometrically equivalent neutral complexes: PaO(OH)2(X)(H2O) and Pa(OH)4(X), where X represents various monodentate and bidentate ligands. Calculating the Gibbs free energy for the reaction PaO(OH)2(X)(H2O)→Pa(OH)4(X), we find that the PaO(OH)2(X)(H2O) complex is stabilized with Cl−, Br−, I−, NCS−, NO3−, and SO42− ligands, while it is not favored with OH−, F−, and C2O42− ligands. Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) methods reveal the Pa mono‐oxo bond as a triple bond, with significant contributions from the 5f and 6d shells. Covalency of the Pa mono‐oxo bond increases with certain ligands, such as Cl−, Br−, I−, NCS−, and NO3−. These findings elucidate protactinium's unique chemical attributes and provide insights into the conditions supporting the stability of relevant complexes.
Switching the on‐surface orientation of oxygen‐functionalized helicene
Authors: Voigt Jan , Hasan Mohammed , Wäckerlin Christian , Karnik Anil V. , Ernst Karl‐Heinz 
Published: January 2024

AbstractHelicenes represent an important class of chiral organic material with promising optoelectronic properties. Hence, functionalization of surfaces with helicenes is a key step toward new organic materials devices. The deposition of a heterohelicene containing two furano groups and two hydroxyl groups onto copper(111) surface in ultrahigh vacuum leads to different adsorbate modifications. At low coverage and low temperature, the molecules tend to lie on the surface in order to maximize van der Waals contact with the substrate. Thermal treatment leads to deprotonation of the hydroxyl groups and in part into a reorientation from lying into a standing adsorbate mode.
Thermoelectric Properties of an Indandione‐Terminated Quinoidal Compound: Effect of the n‐Type Dopants†
Authors: Liu Yingying , Wang Cheng , Wang Tianzuo , Jiao Fei , Dong Shaoqiang , Deng Yunfeng , Geng Yanhou 
Published: January 2024

Comprehensive SummaryThe investigation of n‐type doping holds a significant interest for the application of thermoelectrics. Herein, the doping of an indandione‐terminated compound Q‐4F with a singlet open‐shell ground state was studied using two n‐dopants N‐DMBI and LCV. Both of these two dopants can effectively dope Q‐4F due to the large offset between the singly occupied molecular orbital (SOMO) of dopants and the lowest unoccupied molecular orbital (LUMO) of Q‐4F. N‐DMBI has a higher doping ability than LCV as demonstrated by the UV‐vis‐NIR and EPR measurements. However, in comparison to N‐DMBI doped Q‐4F, LCV doped system exhibits much higher electrical conductivity and power factor due to its unperturbed molecular packing and favorable morphology after doping. The optimal conductivity of LCV doped Q‐4F is 7.16 × 10–2 ± 0.16 S·cm–1 and the highest power factor reaches 12.3 ± 0.85 μW·m–1·K–2. These results demonstrate that the modulation of n‐dopants is a powerful strategy to balance the doping efficiency and microstructure toward a maximum thermoelectric performance.
Designing and Screening of Moisture‐Swing Porous Adsorbents for Rapid CO2 Capture from Air
Authors: Liu Jun , Zhang Zhen , Liang Chenyang , Wang Weishu , Wang Tao 
Published: January 2024

AbstractQuaternary amine(QA)‐functionalized adsorbents using moisture swing method are demonstrated to have vast application prospect in capturing CO2 from the ambient air. However, the poor kinetic performance and limited sorbents remain a great challenge. In this work, the porous resins were screened and membrane with controllable porous structure was designed for CO2 air capture, and the effects of the varieties of QA‐based resins and external environmental conditions (humidity and temperature) on CO2 adsorption performance were quantitatively investigated. The results show that the kinetic performance of porous resins are far superior to the existing QA‐based direct air capture(DAC) materials, and the half‐time of D290 type membrane is only 102 s, much less than that of gelatinous resin, which is about 2400 s. The effect of microporous structure on CO2 adsorption rate increases with the increase of humidity, while only slightly effect was found on macroporous adsorbents. The research results can provide basic data for the application of CO2 capture in different occasions.
Machine Learning Assisted Metal Oxide‐Bismuth Oxy Halide Nanocomposite for Electrochemical Sensing of Heavy Metals in Aqueous Media
Authors: Kailasam Vijayalakshmi , Sankararajan Radha , Kailasam Muthumeenakshi , Suseela Sreeja Balakrishnapillai 
Published: January 2024

AbstractHeavy metal in excess quantity is one of the major inorganic pollutants in water. It causes several hazards to human life and ecosystem. It exists in traces in most of the commonly available drinking water sources from lakes, ponds, wells, etc., However, their presence in treated water is relatively significant. As the treated water is primarily used for agricultural purposes, it is necessary to monitor and measure their concentration. This requires sensing of metals in aqueous medium with good sensitivity and stability. Recently, nanosensors coupled with electrochemical transducer is preferred for analyzing heavy metal in aqueous solutions. In this work, Silver oxide‐bismuth oxy bromide coated with nafion is proposed as an electrochemical sensor for detection of heavy metal ions in aqueous solution. Cyclic voltammetry (CV) behavior of the proposed electrode is observed in different electrolytes. Further, Differential Pulse Voltammetry (DPV) study shows that current increases with trace nickel and copper metal ions of different concentration. Further, machine learning (ML) algorithms such as Naïve Bayes, ANN, SVM and decision trees are employed for nickel ions to train the cyclic voltammetry data and evaluate its performance. Naïve Bayes algorithm provides the best accuracy of 93.2% among all the models.
Power allocation for enhancing energy efficiency in unmanned aerial vehicle networks
Authors: Rose J. T. Anita , Subasini C. A. , Vinnarasi F. Sangeetha Francelin , Karuppiah S. P. 
Published: January 2024

SummaryThe non‐orthogonal multiple access (NOMA) wireless networks are a robust multi‐access mechanism that serves multiple clients accessing the same resource block simultaneously. The fifth‐generation wireless networks offer huge efficiency in spectrum utilization, which can be exploited to deploy NOMA for LOS communication of unmanned aerial vehicles (UAVs). Previous research has extensively analyzed various aspects of NOMA‐UAV communication systems, including user access fairness, coverage, maximizing system capacity, and total energy efficiency. However, only a few researchers have focused on maximizing the EE of NOMA‐UAV wireless networks with user quality of service (QoS) constraints. This paper proposes a fuzzy logic‐based crossover‐based coati optimization algorithm for maximizing the energy efficiency of NOMA‐UAV, along with user scheduling. The main objective of this model is to offer a solution to the joint energy efficiency and user QoS scheduling problem. The fuzzy decision‐making strategy optimizes the energy efficiency (EE) of NOMA‐UAV by selecting appropriate power and time resources. Additionally, the crossover‐based coati optimization algorithm transforms the subchannel allocation problem into a two‐sided matching procedure. The efficiency of the proposed algorithm is evaluated concerning overall residual energy, number of remaining nodes, and time consumption. The experimental outcomes demonstrate the capability of the proposed model in optimizing the energy efficiency of the NOMA‐UAV network by identifying the optimal resource set in terms of time and power while satisfying the clients' QoS.
A Water‐Stable Europium Metal‐Organic Framework as a Turn‐Off Fluorescence Sensor for Ascorbic Acid Detection in Human Serum
Authors: Yin Yu‐Xing , Liu Bing , Zheng Le‐Fang , Zhou Xin , Xu Ling 
Published: January 2024

AbstractAscorbic acid (AA) is a biomarker of some nervous system diseases, whose detection is of significance in many fields. The hydrothermal reaction of naphthalene‐2,6‐dicarboxylic acid (H2NDBC) with Eu3+ produced a europium MOF, Eu‐NDBC. Eu‐NDBC emits the combined emissions from the intraligand charge transfer (ILCT) of NDBC2− ligand and 5D0→7Fj (j=1–4) transfers of Eu(III). The factors of MOF dosage, pH and fluorescence response time are optimized as 0.6 mg, 7.35, and 5 min respectively. The sensitivity test shows a linear fitting equation of I0/I=0.00239 ⋅ CAA+1.03774 (CAA=AA concentration), with its limit of detection calculated as 4.53 μM in a wide linear range of 0–900 μM. The linear fitting of Stern‐Volmer equation gives KSV=2.46×103 M−1 and Kq=4.96×106 M−1 S−1, suggesting Eu‐NDBC sensing AA is a dynamic fluorescence quenching process. Nine control amino acids can't affect Eu‐NDBC sensing AA and the emission intensity stay stable in five fluorescence quenching‐recovery cycles. The returned CAA closed to the set CAA and the recoveries around 100 % support the accurate AA detection by Eu‐NDBC in human serum. Totally, Eu‐NDBC can be regarded as a quantitative turn‐off fluorescence sensor to AA with high sensitivity and selectivity, rapid response and durability.
Eliciting and stop dose during oral food challenges for peanut and common tree nuts in different age groups
Authors: de Weger Wouter W. , Jansen Diede , van Lente Lidy , van der Meulen Gerbrich N. , Kamps Arvid W. A. 
Published: January 2024

AbstractBackgroundOral food challenges (OFCs) are used to confirm or reject a diagnosis of food allergy. However, younger children may encounter difficulties in consuming all offered doses during an OFC in the absence of symptoms, resulting in inconclusive outcomes. Our aim is to assess the eliciting dose for objective symptoms among various age groups and determine the necessity of consuming the final dose step during an uneventful OFC to avoid false negative outcomes.MethodsOFCs for common food allergens performed between 2012 and 2019 were analyzed retrospectively. The primary outcome was the association of age with stop dose for OFCs with inconclusive outcome. Secondary outcome measures were the association of age with eliciting dose and the potential number of false negative outcomes.ResultsA total of 1327 OFCs were performed in 707 patients. Of these, 514 (38.7%) were positive, 589 (44.4%) negative, and 224 (16.9%) inconclusive. In OFCs with inconclusive outcome, age appeared to be a significant predictor of the stop dose only for almond (p = .005). Objective symptoms occurred after the last dose step in 2%–13% of all OFCs with positive outcome. In our cohort, potential false negative outcomes may have been drawn in 27.6% of uneventful OFCs.ConclusionsTwo third of children under 6 years of age successfully consumed all the provided doses during OFCs with a negative outcome. The eliciting dose for objective symptoms was not associated with age, and in a substantial number of OFCs with positive outcome, symptoms occurred after eating the final dose. These findings suggest that in case of an uneventful OFC, the outcome should be drawn only after a cumulative dose of 4.4 g has been consumed to avoid the risk of a potential false negative outcome.
Survival nomograms for vulvar squamous cell carcinoma based on the SEER database and a Chinese external validation cohort
Authors: Zhao Zhongyi , Zhen Shihan , Liu Ning , Ding Ding , Zhang Dandan , Kong Juan 
Published: January 2024

AbstractObjectiveThe aim of study was to construct a nomogram to effectively predict the overall survival (OS) and cancer‐specific survival (CSS) for patients with vulvar squamous cell carcinoma (VSCC).MethodsThe training cohort consisted of 5405 patients with VSCC, extracted from the Surveillance, Epidemiology, and End Results (SEER) database between 2004 and 2015. Eighty‐four patients with VSCC were selected from the disease database of the Shengjing Hospital of China Medical University from 2014 to 2020, and enrolled as the external validation cohort. Significant independent prognostic factors were identified using Cox regression analysis and used to develop nomograms to predict 1‐, 3‐, and 5‐year OS and CSS in patients with VSCC.ResultsThe nomogram predicting OS was developed based on tumor size, histological grade, International Federation of Gynecology and Obstetrics (FIGO) stage, regional lymph node involvement, distant metastases, surgery, chemotherapy, age, and race. The nomogram for CSS was constructed using the similar factors, excluding race but including marital status. The nomogram for 1‐, 3‐, and 5‐year OS demonstrated robust performance with receiver operating characteristic curves (AUCs) exceeding 80% (0.86, 0.84, and 0.82), outperforming the FIGO staging alone (0.77, 0.75, and 0.72). Similarly, for CSS, our nomograms achieved larger AUCs of 0.89, 0.88, and 0.86 compared with FIGO staging alone (0.81, 0.79, and 0.78).ConclusionThe nomograms more accurately predict prognosis than simple FIGO staging. Moreover, the nomograms developed in this study provide a convenient, operable, and reliable tool for individual assessment and clinical decision‐making for patients with VSCC.
Tortoise health. Part 1: husbandry and husbandry‐related conditions
Authors: Kubiak Marie 
Published: January 2024

Background: As with many non‐traditional companion animals, husbandry is a crucial part of maintaining the health of captive tortoises. Husbandry deficiencies are a common factor in the development of clinical disease, and awareness of the species‐specific requirements and common consequences of husbandry failings, are critical in managing these patients in practice.Aim of the article: This article outlines basic husbandry requirements and husbandry‐related conditions for the more common tortoise species that may present to first‐opinion practice. Descriptions to assist in species identification are included, as these become relevant when assessing hibernation suitability of individual animals. Hibernation‐related health concerns are also discussed.
Managing weaning issues in lambs and ewes
Authors: Forster Rachel , Falder Nicola 
Published: January 2024

Background: Weaning has long been considered a stressful time for both lambs and ewes and, as such, many problems can be encountered during this time. The timing of weaning is generally when lambs reach ages of between 12 and 14 weeks; however, rather than being a fixed time event this should be based on the grazing available, ewe body condition score and lamb growth rates.Aim of the article: This article discusses common issues encountered by both ewes and lambs at weaning time and outlines how to minimise these problems.
Latest developments in testing for equine helminths
Authors: Matthews Jacqueline , Peczak Natalia , Engeham Sarah 
Published: January 2024

Background: Helminths are found in most grazing horses. When high burdens occur, these worms can cause serious disease. Historically, the threat of parasite‐associated pathology led to control programmes that comprised regular all‐group anthelmintic treatments. Unfortunately, this approach encouraged selection for drug resistance, in particular, in cyathostomins. For over 25 years, parasitologists have recommended that prophylactic treatments be avoided and, instead, tests be applied to indicate which helminths are present in populations and at what levels worms are found in, or excreted by, individuals. These evidence‐based approaches have had variable uptake across regions. In the UK, there has been a gradual rise in testing, especially the use of faecal egg count analysis to inform treatment decisions to reduce egg shedding from horses that contribute most to pasture contamination. Antibody‐based tests are also being used to enable assessment of burdens of Anoplocephala perfoliata and cyathostomins in order to provide information on the presence of these parasites in populations.Aim of the article: This article provides an update on how to use diagnostics alongside improved pasture management in equine worm control programmes to reduce anthelmintic treatment frequency.
Solvent‐cast 3D printing with molecular weight polymer blends to decouple effects of scaffold architecture and mechanical properties on mesenchymal stromal cell fate
Authors: Tolbert John W. , French Tyler , Kitson Andrew , Okpara Chiebuka , Hammerstone Diana E. , Lazarte Santiago , Babuska Tomas F. , Gonzalez‐Fernandez Tomas , Krick Brandon A. , Chow Lesley W. 
Published: January 2024

AbstractThe biochemical and physical properties of a scaffold can be tailored to elicit specific cellular responses. However, it is challenging to decouple their individual effects on cell‐material interactions. Here, we solvent‐cast 3D printed different ratios of high and low molecular weight (MW) poly(caprolactone) (PCL) to fabricate scaffolds with significantly different stiffnesses without affecting other properties. Ink viscosity was used to match processing conditions between inks and generate scaffolds with the same surface chemistry, crystallinity, filament diameter, and architecture. Increasing the ratio of low MW PCL resulted in a significant decrease in modulus. Scaffold modulus did not affect human mesenchymal stromal cell (hMSC) differentiation under osteogenic conditions. However, hMSC response was significantly affected by scaffold stiffness in chondrogenic media. Low stiffness promoted more stable chondrogenesis whereas high stiffness drove hMSC progression toward hypertrophy. These data illustrate how this versatile platform can be used to independently modify biochemical and physical cues in a single scaffold to synergistically enhance desired cellular response.
MRI Assessment of Myocardial Deformation for Risk Stratification of Major Arrhythmic Events in Patients With Non‐Ischemic Cardiomyopathy Eligible for Primary Prevention Implantable Cardioverter Defibrillators
Authors: Ghanbari Fahime , Cirillo Julia , Rodriguez Jennifer , Yue Jennifer , Morales Manuel A. , Kramer Daniel B. , Manning Warren J. , Nezafat Reza , Ngo Long H. 
Published: January 2024

BackgroundImplantable cardioverter‐defibrillator (ICD) intervention is an established prophylactic measure. Identifying high‐benefit patients poses challenges.PurposeTo assess the prognostic value of cardiac magnetic resonance imaging (MRI) parameters including myocardial deformation for risk stratification of ICD intervention in non‐ischemic cardiomyopathy (NICM) while accounting for competing mortality risk.Study TypeRetrospective and prospective.PopulationOne hundred and fifty‐nine NICM patients eligible for primary ICD (117 male, 54 ± 13 years) and 49 control subjects (38 male, 53 ± 5 years).Field Strength/SequenceBalanced steady state free precession (bSSFP) and three‐dimensional phase‐sensitive inversion‐recovery late gadolinium enhancement (LGE) sequences at 1.5 T or 3 T.AssessmentPatients underwent MRI before ICD implantation and were followed up. Functional parameters, left ventricular global radial, circumferential and longitudinal strain, right ventricular free wall longitudinal strain (RV FWLS) and left atrial strain were measured (Circle, cvi42). LGE presence was assessed visually. The primary endpoint was appropriate ICD intervention. Models were developed to determine outcome, with and without accounting for competing risk (non‐sudden cardiac death), and compared to a baseline model including LGE and clinical features.Statistical TestsWilcoxon non‐parametric test, Cox's proportional hazards regression, Fine‐Gray competing risk model, and cumulative incidence functions. Harrell's c statistic was used for model selection. A P value <0.05 was considered statistically significant.ResultsFollow‐up duration was 1176 ± 960 days (median: 896). Twenty‐six patients (16%) met the primary endpoint. RV FWLS demonstrated a significant difference between patients with and without events (−12.5% ± 5 vs. −16.4% ± 5.5). Univariable analyses showed LGE and RV FWLS were significantly associated with outcome (LGE: hazard ratio [HR] = 3.69, 95% CI = 1.28–10.62; RV FWLS: HR = 2.04, 95% CI = 1.30–3.22). RV FWLS significantly improved the prognostic value of baseline model and remained significant in multivariable analysis, accounting for competing risk (HR = 1.73, 95% CI = 1.12–2.66).Data ConclusionsIn NICM, RV FWLS may provide additional predictive value for predicting appropriate ICD intervention.Level of Evidence2Technical EfficacyStage 5
How do suppliers respond to institutional complexity? Examining voluntary public environmental disclosure in a global manufacturing supply network
Authors: Diebel William , Gualandris Jury , Klassen Robert D. 
Published: January 2024

AbstractWhen making decisions about their commitments to environmental practices and performance, suppliers face heterogenous institutional logics and their diverse prescriptions for action. How do suppliers respond to such institutional complexity? We examine this question in the context of suppliers' voluntary public environmental disclosures (disclosure). Specifically, our study assembles a unique panel data set of global manufacturing suppliers and their annual contractual relationships with buyers. Building on the institutional logics perspective and the sustainable supply network literature, we hypothesize that suppliers selectively mimic the disclosure of their buyers by following market, corporate, and sustainability logics. Our study contributes to the institutional logics perspective and the sustainable supply network literature by indicating that in the context of disclosure, market and sustainability logics both actively shape suppliers' responses to institutional complexity. Furthermore, we find support for mimicry as a mechanism of buyer influence that can lead to disclosure heterogeneity across suppliers even when they follow the same logic, which opens new avenues for research. Our findings can be leveraged by buyers, policymakers, and other stakeholders interested in advancing transparency and sustainability in supply networks.