bluuebunny/crossref_metadata_2025_split huggingface dataset:
Measuring Thread Timing to Assess the Feasibility of Early‐Bird Message Delivery Across Systems and Scales
Authors: Marts W. Pepper , Dosanjh Matthew G. F. , Schonbein Whit , Levy Scott , Bridges Patrick G. 
Published: December 2024

ABSTRACTEarly‐bird communication is a communication/computation overlap technique that leverages fine‐grained communication to improve application run‐time. Communication is divided such that each individual thread can initiate transmission of its portion of the data upon completion rather than waiting for a dedicated communication phase. The benefit of early‐bird communication depends on the completion timing of the individual threads: On the one hand, if all threads are complete at nearly the same time, the overheads of sending multiple messages will accumulate, leading to performance that is worse than if a single message had been sent. On the other hand, if thread completions are spread out in time, those that complete earlier can send data while others continue working, leading to performance that is better than if a single message had been sent. The challenge is that the completion times are currently unknown and can vary based on application, problem size, system software, and underlying hardware. In this paper, we address this lacuna by measuring and evaluating the potential overlap afforded by early‐bird communication for a selection of proxy applications. These measurements help us understand whether a given application could benefit from early‐bird communication. We present our technique for gathering this data and evaluate data collected from three proxy applications: MiniFE, MiniMD, and MiniQMC. Each application is run on three systems with distinct CPU architectures and strong scales across three run sizes. To characterize the behavior of these workloads, we study the trends of thread timings at both a macro level, across all threads across all runs of an application, and a micro level, that is, within a single process of a single run. We observe that our tested applications exhibit significantly different thread arrival distributions. The machine used had a significant impact, with the window of potential overlap varying by as much as an order of magnitude.
Covalent Functionalisation of rGO and Nanodiamonds: Complementary Versatility and Applicability of Azomethine Ylide, Nitrile Oxide and Nitrone
Authors: Martina Katia , Tagliapietra Silvia , Calsolaro Federica , Paraschiv Andrei , Sacco Mirko , Picollo Federico , Sturari Sofia , Arpà Pietro , Mino Lorenzo , Barge Alessandro , Cravotto Giancarlo 
Published: December 2024

AbstractThe existing synthetic protocols for the direct functionalization of carbon‐based nanomaterials often entail limitations due to their harsh reaction conditions, which require the use of high temperatures for extended periods. This study aims to overcome these limitations by developing mild and efficient synthetic protocols around 1,3‐dipolar cycloaddition. Beginning with the well‐established azomethine ylide derivatization, we progress to the utilization of nitrile oxide, and of nitrone derivatives for the functionalization of reduced graphene oxide (rGO) as well as of nanodiamonds (NDs). This comparative work employs both classical heating and microwave activation with the aim of reducing reaction times and enhancing efficacy. Results demonstrate that nitrone can react at 60 °C and that the reaction temperature may be decreased to 30 °C with nitrile oxide. Excellent progress was made in reducing the large excess of dipoles typically required for derivatization. Nitrile oxide was proved to be the most efficient in terms of derivatization degree, while nitrone was the most versatile reagent, facilitating the decoration of the carbon nanolayer with disubstituted dihydroisoxazole. To accurately assess the degree of functionalization, the reaction products underwent characterization using various spectroscopic and analytical techniques. Additionally, an indirect evaluation of the reaction outcome was conducted through Fmoc deprotection and quantification.
Heteroatom‐Based Ligand Engineering of Metal Organic Frameworks for Efficient and Robust Electrochemical Water Oxidation
Authors: Tan Hong‐Yi , Wang Bing‐Hao , Xu Meng‐Yi , Peng Zhi‐Yong , Wu Wen‐Juan , Shen Sheng , Yin Shuang‐Feng 
Published: December 2024

AbstractMetal‐organic frameworks (MOFs) are promising catalysts for the electrochemical oxygen evolution reaction (OER) due to their high surface area, tunable pore structures, and abundant active sites. Ligand engineering is an important strategy to optimize their performance. Here, we report the synthesis of NiFe‐MOFs based on three different ligands: 1,4‐terephthalic acid (BDC), 2,4‐thiophene dicarboxylic acid (TDC), and 2,5‐furandicarboxylic acid (FDC), to investigate the effects of heteroatom‐based aromatic rings on OER performance. It is revealed that by incorporating electronegative sulfur and oxygen atoms into the ligands, the electron density at the metal sites is reduced, leading to enhanced metal‐oxygen covalency and improved charge transfer kinetics. The NiFe‐FDC/NF catalyst demonstrates an overpotential of 189 mV at 10 mA⋅cm−2 and stable performance over 1300 hours at 1 A cm−2. In situ infrared spectroscopy reveal minimal structural reconstruction in NiFe‐FDC/NF, contributing to its superior stability. The NiFe‐FDC/NF were then subjected to 3600 hours of OER operation and it's metal elution was monitored. These findings offer a novel approach to ligand design for high‐performance MOF‐based OER catalysts, highlighting the potential of furan‐based ligands for MOF ligand engineering.
Iodine(III)‐Mediated Unexpected Ring‐Contraction Rearrangement and Halogenated Addition Reaction to Synthesize 3‐Substituted Phthalides and Isochroman‐1‐One Derivatives
Authors: Meng Fanjing , Zhou Yihang , Cui Wenhui , Si Xinxin , Liu Tao , Cao Yang 
Published: December 2024

AbstractIodine(III)‐mediated ring‐contraction rearrangement and halogenated addition reaction have been realized. A series of 3‐substituted phthalides and isochroman‐1‐one derivatives bearing multiple functional groups were obtained in good to excellent yields under mild reaction conditions. Computational studies indicated that the reaction proceeds via a proton transfer followed by ring opening and ring formation to produce the target product. Moreover, preliminary biological evaluations revealed that both of 3‐substituted phthalides and isochroman‐1‐one derivatives show good antitumor activities.
Expression and Purification of ADAMTSL5 in E. coli and Validation of Activity in Psoriasis Serum
Authors: Qin Ru , Li Shangyang , Wu Boheng , Lin Ruilan , Yuan Yulin 
Published: December 2024

ABSTRACTPurposeA disintegrin and metalloprotease domain containing thrombospondin type 1 motif‐like 5 (ADAMTSL5), a protein linked to psoriasis, was obtained by prokaryotic expression and purification for potential utilization as a new auxiliary diagnostic marker for psoriasis. It was subsequently applied in psoriasis research.Experimental DesignThe designed ADAMTSL5 gene was inserted into the pET‐30a (+) vector and expressed in the BL21 (DE3) strain as a fusion protein. Following this, the recombinant ADAMTSL5 protein was purified using affinity chromatography. Purified ADAMTSL5, obtained in conjunction with magnetic beads, was directly employed in both psoriasis patients and healthy individuals.ResultsThe results indicated that the molecular weight of the ADAMTSL5 protein obtained through prokaryotic expression and purification was approximately 27 kDa, with a protein concentration of 0.96 mg/mL. Analysis of anti‐ADAMTSL5 levels in the serum of both psoriasis patients and healthy individuals using magnetic microparticle chemiluminescence demonstrated that anti‐ADAMTSL5 levels in the serum of psoriasis patients surpassed those of healthy individuals, showing a significant difference with p < 0.001.ConclusionsThe experimental findings presented here may contribute to the utilization of ADAMTSL5 as a marker for diagnosing psoriasis, offering novel insights and experimental avenues for further investigation.
Birth characteristics and the risk of childhood brain tumors: A case–control study in Ontario, Canada
Authors: Cheng Sierra , McLaughlin John R. , Brown M. Catherine , Rutka James , Bouffet Eric , Hawkins Cynthia , Cairney A. Elizabeth , Ranger Adrianna , Fleming Adam J. , Johnston Donna L. , Greenberg Mark , Malkin David , Hung Rayjean J. 
Published: December 2024

AbstractVarious birth characteristics may influence healthy childhood development, including the risk of developing childhood brain tumors (CBTs). In this study, we aimed to investigate the association between delivery methods, obstetric history, and birth anthropometrics with the risk of CBTs. This study used data from the Childhood Brain Tumour Epidemiology Study of Ontario (CBREO) which included children 0–15 years of age and newly diagnosed with CBTs from 1997 to 2003. Multivariable logistic regressions were performed to explore the association between delivery methods, obstetric history, and birth anthropometric variables, with subsequent CBT development. Models were adjusted for maternal and index child characteristics, and stratified by histology where sample size permitted. The use of assistive instruments (forceps or suction) during childbirth was significantly associated with overall CBTs (OR 1.84, 95% CI 1.30–2.61) and non‐glial tumors (OR 2.57, 95% CI 1.60–4.13). Compared to first‐born children, those second‐born or greater had a lower risk of overall CBT development (OR 0.74, 95% CI 0.55–0.98), and glial histological subtype. All other birth characteristic variables explored were not associated with CBTs. The use of assistive devices such as forceps or suction during vaginal delivery carries potential risks, including increased risk of CBT development. There is an inverse association between birth order and CBTs, and future studies examining early childhood common infection may be warranted.
Effects of Gamma Irradiation on Structural, Chemical, Bioactivity and Biocompatibility Characteristics of Bioactive Glass–Polymer Composite Film
Authors: Sujon Mamun Khan , Samsurrijal Siti Fatimah , Baharin Ruzalina , Isa Naurah Mat , Zabidi Muhammad Azrul , Mohd Noor Siti Noor Fazliah 
Published: December 2024

ABSTRACTGamma irradiation is an effective technique for biocomposite films intended for application in tissue engineering (TE) to ensure sterility and patient safety prior to clinical applications. This study proposed a biocomposite film composed of natural polymer chitosan (CS) and synthetic polymer poly‐Ɛ‐caprolactone (PCL) reinforced with sol–gel‐derived bioactive glass (BG) for potential application in TE. The BG/PCL/CS biocomposite film was sterilized using 25 kGy gamma rays, and subsequent changes in its characteristics were analyzed through mechanical and physical assessment, bioactivity evaluation via immersion in simulated body fluid (SBF) and biocompatibility examination using human primary dermal fibroblasts (HPDFs). Results indicated a homogeneous distribution of BG particles within the BG/PCL/CS polymer matrix which enhanced bioactivity, and the polymer blend provide a structurally stable film. Gamma irradiation induced an increase in the film's surface roughness due to photo‐oxidative degradation; however, this did not adversely affect the integrity of glass particles and polymer chains. In vitro assessments demonstrated hydroxyapatite formation on the film's surface, suggesting bioactivity. Biocompatibility testing confirmed enhanced cell adhesion and proliferation. These multifunctional properties highlight the potential of the fabricated BG/PCL/CS biocomposite film for TE and regenerative medicine applications.
The Influence of the Solvation on the Bonding of Molecular Complexes of Diatomic Halogens With Nitrogen‐Containing Donors and Their Stability With Respect to the Heterolytic Halogen‐Halogen Bond Splitting
Authors: Pomogaeva Anna V. , Lisovenko Anna S. , Timoshkin Alexey Y. 
Published: December 2024

ABSTRACTIn the framework of SMD approach a systematic computational study of structural, electronic and thermodynamic properties of molecular complexes of Cl2, ICl and I2 with series of N‐containing Lewis bases in solvents of different polarity was carried out. Results indicate that molecular complexes of Cl2 with strong and medium‐strong LB undergo spontaneous ionization in the acetonitrile solution. The increase of the solvent polarity can change the nature of interaction in X'XLB systems from molecular X'X ← LB donor‐acceptor complexes to 3‐center 4‐electron bound X'→X+ ← LB in solvents of medium polarity and to the contact ion pairs X'→[XLB]+ in polar solvents. Thus, the controlled generation of cationic [LB∙X]+ species is possible by varying the nature of LB, varying the nature of the solvent, and varying the nature of the halogen X. Molecular Cl2 has the greatest tendency to form ionic species in polar solvents. Spontaneous ionization of molecular nσ complexes of chlorine with strong LB in medium‐polar solvents (starting from OEt2, ε = 4.24) should not be neglected and single point solvation energy computations on gas phase optimized geometries are not reliable for such systems.
Quadriceps muscle strength of the affected limb in medial meniscus posterior root tears is negatively correlated with the progression of postoperative medial joint space narrowing
Authors: Kawada Koki , Fukuba Mikao , Okazaki Yuki , Tamura Masanori , Yokoyama Yusuke , Ozaki Toshifumi , Furumatsu Takayuki 
Published: December 2024

AbstractPurposeThe effect of quadriceps muscle strength on medial joint space (MJS) narrowing after repair for medial meniscus (MM) posterior root tears (MMPRTs) has not yet been determined. This study aimed to evaluate the effect of preoperative and postoperative quadriceps muscle strength on the change in MJS (ΔMJS) in MMPRTs.MethodsThirty patients who underwent pullout repair for MMPRTs were retrospectively evaluated. The MJS width using fixed‐flexion view radiographs, MM extrusion (MME) using magnetic resonance imaging, quadriceps muscle strength using the Locomo Scan‐II and clinical scores were measured and compared preoperatively and 1 year postoperatively. Correlations between the ΔMJS, change in MME (ΔMME), and preoperative and postoperative quadriceps muscle strength were evaluated using Spearman's rank correlation coefficient.ResultsMJS narrowing and MME progressed significantly at 1 year postoperatively (p < 0.001). Quadriceps muscle strength in MMPRT knees and all clinical scores significantly improved at 1 year postoperatively (p < 0.001). ΔMJS and ΔMME showed a significant positive correlation (0.50 ± 0.70 and 1.22 ± 0.92 mm, respectively; r = 0.516, p = 0.004). Both preoperative and postoperative quadriceps muscle strength in MMPRT knees showed significant negative correlations with ΔMJS (preoperative: r = −0.529, p = 0.003; postoperative: r = −0.477, p = 0.008) and ΔMME (preoperative: r = −0.431, p = 0.018; postoperative: r = −0.443, p = 0.014).ConclusionsIn pullout repair for MMPRTs, preoperative and postoperative quadriceps muscle strength in MMPRT knees was negatively correlated with the progression of MJS narrowing and MME. Rehabilitation with a focus on quadriceps muscle strengthening, including preoperative rehabilitation, may delay knee‐osteoarthritis progression after pullout repair for MMPRTs.Level of EvidenceLevel IV.
A risk index tool to minimize the risk of nitrogen loss from land to water
Authors: McDowell R. W. , Snow V. O. , Tamepo R. , Lilburne L. , Cichota R. , Muraoka K. , Soal E. 
Published: December 2024

AbstractSimple models can help reduce nitrogen (N) loss from land and protect water quality. However, the complexity of primary production systems may impair the accuracy of simple models. A tool was developed that assessed the risk of N loss as the product of N source inputs and relative transport by leaching and runoff. A dynamic process‐based model was used to estimate the long‐term monthly N loss risk by leaching and runoff in response to the interaction of static biophysical factors like soil type, slope, and long‐term climate. Source inputs included dung and urine (from livestock), fertilizer, crop residues, and soil erosion. Estimates of the rank of N loss risk were related (r2 = 0.69, p < 0.001) to 96 observations of N loss (kg ha−1 year−1) across nine land uses; all but two of the observations fell within 95% prediction intervals. Across land uses, leaching accounted for 84% of N loss risk. Additional observations are needed to determine if N loss risk is representative of short‐rotation vegetables and to account for potential lag times between calculated and measured losses. The good performance of the tool suggests that when displayed spatially, the tool can be used to target high‐risk areas with actions to reduce the risk of N loss and the likelihood of water quality impairment.
Technique considerations for implementing volumetric‐modulated arc therapy for total body irradiation within an Australian tertiary institution
Authors: La Macchia Gabriella , Wan Clare , Dass Joshua , Taylor Mandy , Neveri Gabor , Skorska Malgorzata 
Published: December 2024

AbstractOver the past decade, our institution delivered conventional total body irradiation (TBI) using Elekta's Monaco treatment planning system (TPS) with an extended SSD field arrangement and 18 megavoltage (MV) energy lateral fields. In 2020, there was a transition to the Eclipse™ treatment planning system and Truebeam® linear accelerators with 6 MV and 10 MV energies. These changes meant that essential components of the existing technique were unavailable for clinical use and a new approach to the institution technique was required to ensure continuation of service. The aim was to implement a volumetric‐modulated arc therapy (VMAT) TBI technique using existing infrastructure, the new planning system and treatment hardware to continue providing a TBI service for patients of all ages, including those under general anaesthetic (GA). A multidisciplinary team within the institution was created to evaluate existing literature and to implement a VMAT TBI technique that was feasible within our institution. This article will discuss the resultant technique, the practicalities faced and the radiation therapy pathway within our institution.
Pre‐operative transcranial Doppler ultrasound assessment of cerebral collateral circulation in children undergoing veno‐arterial extracorporeal membrane oxygenation or cardiac surgery
Authors: Reddan Tristan , Malouf Michael , Venugopal Prem , Powell Jennifer 
Published: December 2024

AbstractChildren requiring veno‐arterial extracorporeal membrane oxygenation (VA ECMO) or cardiac surgery often undergo cervical cannulation or carotid artery clamping, which can interrupt cerebral circulation. Inadequate collateral flow through the circle of Willis (CoW) may lead to cerebral ischaemia within the vascular territory and/or watershed regions. Pre‐cannulation survey of the CoW using transcranial Doppler (TCD) ultrasound may be performed to predict and plan neuroprotection. It is important to note in this article TCD refers to Duplex or colour coded trans‐cranial Doppler (TCCD) using radiology‐based machines, which is distinct from the more traditional trans‐cranial Doppler technique that does not incorporate a B‐mode image. This article describes our technique, in use since 2019, to guide surgical approaches and neuroprotective measures when an incomplete CoW is identified. High‐end radiology‐based ultrasound platforms and various transducers are used to assess brain morphology and haemorrhage through the anterior fontanelle in neonates. TCD is performed with the highest frequency transducer possible, utilising Doppler imaging to visualise cerebral arteries. Manual carotid compression can be used to functionally assess collateral flow when segments appear aplastic or hypoplastic. Potential pitfalls include mistaking the anterior choroidal artery for a hypoplastic posterior communicating artery (PCommA). Since implementing this protocol 5 years ago, no catastrophic infarcts related to cervical cannulation have occurred. This technique provides a practical solution for pre‐operative assessment of cerebral collateral circulation in children undergoing VA ECMO or cardiac surgery, allowing for consideration of neuroprotective measures and improving patient safety.
How does fertilizer management strategy in soilless blueberry cultivation change the phytochemical profile and phenoloxidases activity during fruit ripening?
Authors: Jasminka Milivojević , Vuk Maksimović , Dragan Radivojević , Slavica Spasojević , Dragišić Maksimović Jelena 
Published: December 2024

AbstractBACKGROUNDHighbush blueberry fruits have attracted a lot of attention from consumers due to their exquisite taste and considerable quantities of bioactive compounds. This premium‐class foodstuff also contains antioxidant enzymes (phenoloxidases) implicated in the degradation of polyphenols that lead to discoloration and loss of antioxidant activity during fruit ripening. Despite substantial progress in research focused on fruit quality, unanswered questions remain about the effect of fertilizer strategy in soilless blueberry cultivation on the phytochemical content and phenoloxidases activities. Therefore, this study aimed to compare the individual effect of mineral fertilizers (Min treatment) and combined application of organic and mineral fertilizers (Org‐Min treatment) the content of targeted primary and secondary metabolites, as well as phenoloxidases activities of blueberry cultivar ‘Bluecrop’ grown in pots.RESULTSThe sugar content and sweetness index were not affected by the fertilizer treatment, while the predominant organic acids content (citrate and malate) increased significantly by the Org‐Min treatment in both years studied. The Org‐Min treatment also stimulated the synthesis of phenolic acids, primarily chlorogenic and p‐coumaric acid, while the Min treatment contributed to significant increase in polyphenol oxidase (PPO) activity in both years of the study.CONCLUSIONThe Org‐Min treatment in annual amounts of 72 kg ha−1 nitrogen, 48 kg ha−1 phosphorus, and 68 kg ha−1 potassium had the most pronounced positive effect on the content of phenolic bioactives, which indicates that a partial replacement of mineral by organic fertilizers can be recommended in soilless cultivation of blueberries. © 2024 Society of Chemical Industry.