bluuebunny/crossref_metadata_2025_split huggingface dataset:
How does aggregation‐induced emission aggregate interdisciplinary research?
Authors: Zhu Jing , Jiang Xuefeng 
Published: November 2023

AbstractIt is a matter of debate whether the discipline independence in discipline formation narrows its interdisciplinarity. It is also less well understood how disruptive works emerge in investigative practice rather than a theory‐driven approach. Aggregation‐induced emission (AIE) is an atypical photophysical phenomenon, in which the whole (aggregate) is brighter than the sum of its parts (single molecule). Through measuring and computing the cognitive extent and evolution of research on AIE, including topics, epistemic‐social collaborative networks, interdisciplinarity, emergent concepts, core concept networks and knowledge flow, this study shows that a cross‐research scales concept and its practice can establish new bridges in the sciences and promote disruptive work. Focusing on mesoscale entities, scientists from many different branches of science are involved in theoretical research on mechanisms, as well as developing different AIE systems for applications. The data analysis in this study provides details showing how non‐reductionist concepts based on new scientific discoveries cross traditional disciplinary boundaries and aggregate interdisciplinary research. The emergence and evolution of the AIE field implies that scientists may be motivated to embrace nonreductionist ideas at different research scales, leading to a more permeable field boundary.
A two‐phase method of moments model for high‐impact polystyrene phase inversion conversion and molecular properties
Authors: Zhu Chen‐Xu , Jin Jie , Wu Yi‐Yang , Figueira Freddy L. , Edeleva Mariya , Van Steenberge Paul H. M. , D'hooge Dagmar R. , Zhou Yin‐Ning , Luo Zheng‐Hong 
Published: November 2023

AbstractA challenge for high‐impact polystyrene (HIPS) production and design is the more accurate and low computational cost prediction of the phase separation and phase inversion conversion, the first conversion determining the onset of the two‐phase system and the second conversion defining the pathway toward a complex, for example, salami‐like morphology. In this work, a two‐phase deterministic method of moments (MoM) model running in several minutes is therefore developed in the intermediate styrene conversion range (up to around 30%), considering for simplicity only diffusional limitations on termination on an average basis. It is showcased that the phase separation conversion can be taken as 2 m%, and the phase inversion conversion should be calculated by algebraic means. Interestingly, the latter conversion varies with the initial reaction conditions either on a time basis (e.g., variation of initial radical concentration) or both a time and conversion basis (e.g., relative contribution of rubber and St partitioning coefficient). A comparison with the commonly used pseudo‐homogeneous MoM model reveals that by accounting for mass transfer in a more representative two‐phase model, the amount of monomer consumed is slightly reduced, the grafting efficiency decreases with increasing conversion instead of increasing, and the styrene composition in the graft copolymer decreases. The current work additionally puts forward two‐phase MoM data to facilitate future benchmarking with other (stochastic) modeling approaches and enables kinetic insights into heterogeneous grafting polymerization, further promoting the production of multiphase industrial polymer products.
Improving Electrocatalytic Oxygen Evolution through Local Field Distortion in Mg/Fe Dual‐site Catalysts
Authors: Zhang Jing , Zhao Yufeng , Zhao Wanting , Wang Jing , Hu Yongfeng , Huang Chengyu , Zou Xingli , Liu Yang , Zhang Dengsong , Lu Xionggang , Fan Hongjin , Hou Yanglong 
Published: November 2023

AbstractTransition metal single atom electrocatalysts (SACs) with metal‐nitrogen‐carbon (M−N−C) configuration show great potential in oxygen evolution reaction (OER), whereby the spin‐dependent electrons must be allowed to transfer along reactants (OH−/H2O, singlet spin state) and products (O2, triplet spin state). Therefore, it is imperative to modulate the spin configuration in M−N−C to enhance the spin‐sensitive OER energetics, which however remains a significant challenge. Herein, we report a local field distortion induced intermediate to low spin transition by introducing a main‐group element (Mg) into the Fe−N−C architecture, and decode the underlying origin of the enhanced OER activity. We unveil that, the large ionic radii mismatch between Mg2+ and Fe2+ can cause a FeN4 in‐plane square local field deformation, which triggers a favorable spin transition of Fe2+ from intermediate (dxy2dxz2dyz1dz21, 2.96 μB) to low spin (dxy2dxz2dyz2, 0.95 μB), and consequently regulate the thermodyna‐mics of the elementary step with desired Gibbs free energies. The as‐obtained Mg/Fe dual‐site catalyst demonstrates a superior OER activity with an overpotential of 224 mV at 10 mA cm−2 and an electrolysis voltage of only 1.542 V at 10 mA cm−2 in the overall water splitting, which outperforms those of the state‐of‐the‐art transition metal SACs.
Importing Antibonding‐Orbital Occupancy through Pd−O−Gd Bridge Promotes Electrocatalytic Oxygen Reduction
Authors: Ning Shuwang , Li Meng , Wang Xuan , Zhang Di , Zhang Baiyu , Wang Caikang , Sun Dongmei , Tang Yawen , Li Hao , Sun Kang , Fu Gengtao 
Published: November 2023

AbstractThe active‐site density, intrinsic activity, and durability of Pd−based materials for oxygen reduction reaction (ORR) are critical to their application in industrial energy devices. This work constructs a series of carbon‐based rare‐earth (RE) oxides (Gd2O3, Sm2O3, Eu2O3, and CeO2) by using RE metal–organic frameworks to tune the ORR performance of the Pd sites through the Pd−RExOy interface interaction. Taking Pd−Gd2O3/C as a representative, it is identified that the strong coupling between Pd and Gd2O3 induces the formation of the Pd−O−Gd bridge, which triggers charge redistribution of Pd and Gd2O3. The screened Pd−Gd2O3/C exhibits impressive ORR performance with high onset potential (0.986 VRHE), half‐wave potential (0.877 VRHE), and excellent stability. Similar ORR results are also found for Pd−Sm2O3/C, Pd−Eu2O3/C, and Pd−CeO2/C catalysts. Theoretical analyses reveal that the coupling between Pd and Gd2O3 promotes electron transfer through the Pd−O−Gd bridge, which induces the antibonding‐orbital occupancy of Pd−*OH for the optimization of *OH adsorption in the rate‐determining step of ORR. The pH‐dependent microkinetic modeling shows that Pd−Gd2O3 is close to the theoretical optimal activity for ORR, outperforming Pt under the same conditions. By its ascendancy in ORR, the Pd−Gd2O3/C exhibits superior performance in Zn‐air battery as an air cathode, implying its excellent practicability.
High‐efficiency self‐repairing polyurethane based on synergy of disulfide bonds and graded hydrogen bonds
Authors: Song Yinghu , Song Guojun , Li Jialiang , Tang Xiangsi , Yin Shuang , Mai Jiayan , Li Xiaoru 
Published: November 2023

AbstractDesigning an elastomer that possesses both mechanical strength and self‐healing properties is a challenging. In this study, a polyurethane elastomer (PUSTP) was successfully synthesized, featuring disulfide bonds along the main chain and graded intermolecular hydrogen bonds. The results demonstrated that the mechanical properties of the polyurethane elastomer improved with an increase in the number of disulfide bonds increased. Specifically, when the molar ratio of disulfide bonds to IPDA was 5:5, the tensile strength of the composite elastomeric film was 5.22 MPa, with an elongation of 1820.26%. Furthermore, the material exhibited robust thermal stability after undergoing repair at 70°C for 12 h, the mechanical strength of the polyurethane membrane remained unchanged, showing outstanding self‐healing capabilities. Additionally, the polyurethane film served as the substrate material for crafting self‐healing conductive devices, which maintained excellent electrical conductivity even after damage repair. This flexible material, combining impressive mechanical recovery capabilities with electrical performance, holds significant promise for a wide array of applications.
Dietary cholesterol and aggression in Nile tilapia Oreochromis niloticus
Authors: ZeinEddine Razan , Tabbara Magida , Saoud Imad Patrick 
Published: November 2023

AbstractTilapia farmers would benefit tremendously if they could decrease aggression among fish. Conspecific aggression affects the growth, feed conversion, and general well‐being of fish. Previous studies established an inverse relationship between blood cholesterol levels and aggression in fish, whereby a decrease in cholesterol led to an increase in aggression. The present study assessed the effect of an increase in dietary cholesterol on blood cholesterol and a possible decrease in the aggression of Nile tilapia oreochromis niloticus. Nile tilapia were stocked in an outdoor recirculation system and then offered one of five diets: 0% cholesterol, 0.5% cholesterol, 1% cholesterol, 1.5% cholesterol, and 2% cholesterol. Five fish of each treatment were moved to a glass tank and monitored for signs of aggression for 10 min, twice a day. This experimental procedure was repeated five times using a new set of fish every time. Results show an increase in cholesterol levels in the blood but that there are no significant differences in aggression among treatments. Accordingly, the present study suggests that an increase in dietary cholesterol increases blood cholesterol in fish but does not have a significant effect on antagonistic patterns in Nile tilapia.
Towards the Lowest Efficacious Dose: Results From a Multicenter Noninferiority Randomized Open‐Label Controlled Trial Assessing Tocilizumab or Abatacept Injection Spacing in Rheumatoid Arthritis in Remission
Authors: Kedra Joanna , Dieudé Philippe , Giboin Caroline , Marotte Hubert , Salliot Carine , Schaeverbeke Thierry , Perdriger Aleth , Soubrier Martin , Morel Jacques , Constantin Arnaud , Dernis Emmanuelle , Royant Valérie , Salmon Jean‐Hugues , Pham Thao , Gottenberg Jacques‐Eric , Pertuiset Edouard , Dougados Maxime , Devauchelle‐Pensec Valérie , Gaudin Philippe , Cormier Grégoire , Goupille Philippe , Mariette Xavier , Berenbaum Francis , Alcaix Didier , Rouidi Sid‐Ahmed , Berthelot Jean‐Marie , Monnier Agnès , Piroth Christine , Lioté Frédéric , Goëb Vincent , Gaujoux‐Viala Cécile , Chary‐Valckenaere Isabelle , Hajage David , Tubach Florence , Fautrel Bruno ,   for the CRI‐IMIDIATE clinical research network
Published: November 2023

ObjectiveWe assess the clinical and structural impact at two years of progressively spacing tocilizumab (TCZ) or abatacept (ABA) injections versus maintenance at full dose in patients with rheumatoid arthritis in sustained remission.MethodsThis multicenter open‐label noninferiority (NI) randomized clinical trial included patients with established rheumatoid arthritis in sustained remission receiving ABA or TCZ at a stable dose. Patients were randomized to treatment maintenance (M) at full dose (M‐arm) or progressive injection spacing (S) driven by the Disease Activity Score in 28 joints every 3 months up to biologics discontinuation (S‐arm). The primary end point was the evolution of disease activity according to the Disease Activity Score in 44 joints during the 2‐year follow‐up analyzed per protocol with a linear mixed‐effects model, evaluated by an NI test based on the one‐sided 95% confidence interval (95% CI) of the slope difference (NI margin 0.25). Other end points were flare incidence and structural damage progression.ResultsOverall, 202 of the 233 patients included were considered for per protocol analysis (90 in S‐arm and 112 in M‐arm). At the end of follow‐up, 16.2% of the patients in the S‐arm could discontinue their biologic disease‐modifying antirheumatic drug, 46.9% tapered the dose and 36.9% returned to a full dose. NI was not demonstrated for the primary outcome, with a slope difference of 0.10 (95% CI 0.10–0.31) between the two arms. NI was not demonstrated for flare incidence (difference 42.6%, 95% CI 30.0–55.1) or rate of structural damage progression at two years (difference 13.9%, 95% CI −6.7 to 34.4).ConclusionThe Towards the Lowest Efficacious Dose trial failed to demonstrate NI for the proposed ABA or TCZ tapering strategy.
Validation of a robust and rapid liquid chromatography tandem mass spectrometric method for the quantitative analysis of VK‐2019, a selective EBNA1 inhibitor
Authors: Davis Michael T. , Anders Nicole M. , Colevas A. Dimitrios , Messick Troy E. , Rudek Michelle A. 
Published: November 2023

AbstractEBNA1 is an Epstein Barr virus (EBV) protein expressed in all EBV‐associated cancers. EBNA1 plays a critical role in the replication and maintenance of EBV episomes in latently infected cells. VK‐2019 was developed as a highly specific inhibitor of EBNA1 DNA binding activity and is currently in phase 1 development as a treatment for EBV‐associated carcinomas. A sensitive and reliable method was developed to quantify VK‐2019 in human plasma using liquid chromatography with tandem mass spectrometry to perform detailed pharmacokinetic studies. VK‐2019 was extracted from plasma using protein precipitation with acetonitrile. Separation of VK‐2019, two purported metabolites, and the internal standard, VK‐2019–d6, was achieved with a Zorbax XDB C18 column using a gradient flow over 6 min. VK‐2019 was detected using a SCIEX 4500 triple quadrupole mass spectrometer operating in positive electrospray ionization mode. The assay range was 0.5–500 ng/mL and proved to be accurate and precise. Dilutions of 1:10 were accurately quantified. VK‐2019 was stable in plasma at −70°C for approximately 18 months. The method was applied to assess the total plasma concentrations of VK‐2019 in a patient who received a single and multiple oral daily doses of 120 mg.
Improved efficiency of daratumumab treatment of multiple myeloma adopting the subcutaneous route: A micro‐costing analysis in three Italian hematology centers
Authors: Pradelli Lorenzo , Massaia Massimo , Todisco Elisabetta , Gherlinzoni Filippo , Furlan Anna , La Targia Maria , Grande Elisabetta , Tripoli Ignazio Ezio , Occhipinti Francesca , Comello Francesco , Iannello Fabrizio , Bellucci Stefania 
Published: November 2023

AbstractBackgroundDaratumumab is a humanized monoclonal antibody approved for the treatment of adult patients with newly diagnosed or relapsed/refractory multiple myeloma (RRMM). Subcutaneous (SC) formulation proved to be non‐inferior in comparison with intravenous (IV) administration route. This study aimed at assessing the economic and time impact associated with the use of SC versus IV daratumumab in patients with RRMM from the perspective of the hematology center.MethodsThis was a 5‐month multicenter time‐and‐motion cross‐sectional micro‐costing study conducted in three Italian hematology centers among adult patients diagnosed with RRMM with ongoing treatment with IV or SC daratumumab. Measurements were performed by an ad hoc App.ResultsNineteen (20%) IV and 76 (80%) SC administration procedures were measured. Patients spent a mean of 4.85 ± 0.91 or 1.08 ± 0.56 h in the hematology center to receive IV or SC daratumumab, respectively. Healthcare professionals (HCPs) spent a mean of 49.38 ± 16.13 and 20.37 ± 7.88 min of active working time to manage IV and SC administrations, respectively. The infusion chair was occupied for a mean of 4.85 ± 0.91 and 0.99 ± 0.55 h during IV or SC administration, respectively. On average, considering the costs due to HCP and chair time, materials, and overhead costs, every IV and SC administration costed €80.33 and 34.90, respectively.ConclusionsIn conclusion, as compared with IV administration, SC daratumumab was associated with 78%, 59%, 80% savings in terms of patient time, HCP active working time, and infusion chair, respectively, and 56.6% budget savings.
TI17, a novel compound, exerts anti‐MM activity by impairing Trip13 function of DSBs repair and enhancing DNA damage
Authors: Chang Shuaikang , Xiao Wenqin , Xie Yongsheng , Xu Zhijian , Li Bo , Wang Guanli , Hu Ke , Zhang Yong , Zhou Jinfeng , Song Dongliang , Zhu Huabin , Wu Xiaosong , Lu Yumeng , Shi Jumei , Zhu Weiliang 
Published: November 2023

AbstractBackgroundThyroid hormone receptor interacting protein 13 (Trip13) is an AAA‐ATPase that regulates the assembly or disassembly protein complexes and mediates Double‐strand breaks (DSBs) repair. Overexpression of Trip13 has been detected in many cancers and is associated with myeloma progression, disease relapse and poor prognosis inmultiple myeloma (MM).MethodsWe have identified a small molecular, TI17, through a parallel compound‐centric approach, which specifically targets Trip13. To identify whether TI17 targeted Trip13, pull‐down and nuclear magnetic resonance spectroscopy (NMR) assays were performed. Cell counting kit‐8, clone formation, apoptosis and cell cycle assays were applied to investigate the effects of TI17. We also utilized a mouse model to investigate the effects of TI17 in vivo.ResultsTI17 effectively inhibited the proliferation of MM cells, and induced the cycle arrest and apoptosis of MM cells. Furthermore, treatment with TI17 abrogates tumor growth and has no apparent side effects in mouse xenograft models. TI17 specifically impaired Trip13 function of DSBs repair and enhanced DNA damage responses in MM. Combining with melphalan or HDAC inhibitor panobinostat triggers synergistic anti‐MM effect.ConclusionsOur study suggests that TI17 could be acted as a specific inhibitor of Trip13 and supports a preclinical proof of concept for therapeutic targeting of Trip13 in MM.
Spectroscopy‐based prediction of 73 wheat quality parameters and insights for practical applications
Authors: Nagel‐Held Johannes , El Hassouni Khaoula , Longin Friedrich , Hitzmann Bernd 
Published: November 2023

AbstractBackground and ObjectivesQuality assessment of bread wheat is time‐consuming and requires the determination of many complex characteristics. Because of its simplicity, protein content prediction using near‐infrared spectroscopy (NIRS) serves as the primary quality attribute in wheat trade. To enable the prediction of more complex traits, information from Raman and fluorescence spectra is added to the NIR spectra of whole grain and extracted flour. Model robustness is assessed by predictions across cultivars, locations, and years. The prediction error is corrected for the measurement error of the reference methods.FindingsSuccessful prediction, robustness testing, and measurement error correction were achieved for several parameters. Predicting loaf volume yielded a corrected prediction error RMSECV of 27.5 mL/100 g flour and an R² of 0.86. However, model robustness was limited due to data distribution, environmental factors, and temporal influences.ConclusionsThe proposed method was proven to be suitable for applications in the wheat value chain. Furthermore, the study provides valuable insights for practical implementations.Significance and NoveltyWith up to 1200 wheat samples, this is the largest study on predicting complex characteristics comprising agronomic traits; dough rheological parameters measured by Extensograph, micro‐doughLAB, and GlutoPeak; baking trial parameters like loaf volume; and specific ingredients, such as grain protein content, sugars, and minerals.
A case of bullous systemic lupus erythematosus: Diagnostic challenges and clinical implications
Authors: Bhandari Samikchhya Keshary , Gautam Naveen , Pandeya Anupama , Jha Saket 
Published: November 2023

Key Clinical MessageSkin involvement in systemic lupus erythematosus (SLE) is common. Bullous lesions in SLE patients are usually due to other autoimmune conditions or rarely, due to lupus itself. Bullous SLE is rare blistering disorder characterized by subepidermal blisters. We, hereby, present a case of bullous SLE in a 24‐year‐old female who responded well to systemic glucocorticoids, mycophenolate mofetil, and dapsone.
Setting behavior and mechanical properties of geopolymers from fly ash and real construction waste
Authors: Kugler Felix , Krcmar Wolfgang , Teipel Ulrich 
Published: November 2023

AbstractSustainability is becoming an increasingly important factor in the development of new building materials. In terms of the sustainability of concrete components, the biggest challenge is the high energy consumption and associated greenhouse gas emissions in the production of Portland cement. A common strategy used by the construction industry to improve sustainability is to use residuals to develop lower‐emission geopolymer concretes that eliminate high‐emission cement‐based concretes. Because construction and demolition waste, at 3 trillion tons per year worldwide, also represents an environmental risk, this work will investigate the suitability of geopolymers based on real construction waste. In the course of the investigations, the manufactured geopolymer samples are examined for the material parameters relevant to building materials, namely compressive strength, flexural strength, raw density, total porosity, and thermal conductivity. The setting behavior and the forming structures are investigated by infrared spectroscopy, X‐ray diffraction analysis and scanning electron microscopy. The present study is intended to contribute to the development of a suitable recycling strategy for the material recycling of construction waste in novel geopolymer material.
Access to NHC–Boryl Mono‐ and Bis‐Selenide and Utility as Mild Selenium Transfer Reagent Including to the C−F Bond
Authors: Kundu Gargi , Amrutha P. R. , Tothadi Srinu , Sen Sakya S. 
Published: November 2023

AbstractReactions of 5‐SIDipp ⋅ BH3 (5‐SIDipp=1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐ylidene) (1) with diphenyldiselenide provide access to 5‐SIDipp–boryl mono‐ (5‐SIDipp ⋅ BH2SePh) (2) and bis‐selenide (5‐SIDipp ⋅ BH(SePh)2) (3). The facile cleavage of the B−Se bond makes 2 a neutral source of selenium nucleophiles in substitutions reactions with benzyl bromides, and provide access to the corresponding selenoethers. The direct transformations of one of the C(sp2)−F bonds of C5F5N and C6F5CF3 to C−Se bonds have also been achieved by the use of 2 without employing transition‐metal catalysts. While it was previously established that C6F6 could undergo complete defluoroselenation under harsh conditions, we successfully achieved partial defluorination of C6F6 by employing 2 as a mild selenide transfer reagent. During the formation of C−Se bonds through the cleavage of C−F bonds, the potential by‐product NHC ⋅ BH2F undergoes ring expansion of the NHC, leading to the formation of the six‐membered diaazafluoroborinane (7).