bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simultaneous multi‐transient linear‐combination modeling of MRS data improves uncertainty estimation
Authors: Zöllner Helge Jörn , Davies‐Jenkins Christopher , Simicic Dunja , Tal Assaf , Sulam Jeremias , Oeltzschner Georg 
Published: April 2024

AbstractPurposeThe interest in applying and modeling dynamic MRS has recently grown. Two‐dimensional modeling yields advantages for the precision of metabolite estimation in interrelated MRS data. However, it is unknown whether including all transients simultaneously in a 2D model without averaging (presuming a stable signal) performs similarly to one‐dimensional (1D) modeling of the averaged spectrum. Therefore, we systematically investigated the accuracy, precision, and uncertainty estimation of both described model approaches.MethodsMonte Carlo simulations of synthetic MRS data were used to compare the accuracy and uncertainty estimation of simultaneous 2D multitransient linear‐combination modeling (LCM) with 1D‐LCM of the average. A total of 2,500 data sets per condition with different noise representations of a 64‐transient MRS experiment at six signal‐to‐noise levels for two separate spin systems (scyllo‐inositol and gamma‐aminobutyric acid) were analyzed. Additional data sets with different levels of noise correlation were also analyzed. Modeling accuracy was assessed by determining the relative bias of the estimated amplitudes against the ground truth, and modeling precision was determined by SDs and Cramér‐Rao lower bounds (CRLBs).ResultsAmplitude estimates for 1D‐ and 2D‐LCM agreed well and showed a similar level of bias compared with the ground truth. Estimated CRLBs agreed well between both models and with ground‐truth CRLBs. For correlated noise, the estimated CRLBs increased with the correlation strength for the 1D‐LCM but remained stable for the 2D‐LCM.ConclusionOur results indicate that the model performance of 2D multitransient LCM is similar to averaged 1D‐LCM. This validation on a simplified scenario serves as a necessary basis for further applications of 2D modeling.
Practical utilization of nonlinear spatial encoding: Fast field mapping and FRONSAC‐wave
Authors: Zhang Horace Z. , Constable R. Todd , Galiana Gigi 
Published: April 2024

AbstractPurposeTo study the additional value of FRONSAC encoding in 2D and 3D wave sequences, implementing a simple strategy to trajectory mapping for FRONSAC encoding gradients.Theory and MethodsThe nonlinear gradient trajectory for each voxel was estimated by exploiting the sparsity of the point spread function in the frequency domain. Simulations and in‐vivo experiments were used to analyze the performance of combinations of wave and FRONSAC encoding.ResultsField mapping using the simplified approach produced similar image quality with much shorter calibration time than the comprehensive mapping schemes utilized in previous work. In‐vivo human brain images showed that the addition of FRONSAC encoding could improve wave image quality, particularly at very high undersampling factors and in the context of limited wave amplitudes. These results were further supported by g‐factor maps.ConclusionResults show that FRONSAC can be used to improve image quality of wave at very high undersampling rates or in slew‐limited acquisitions. Our study illustrates the potential of the proposed fast field mapping approach.
Translation and Validation of the Sinus and Nasal Quality of Life Surgery Survey in Serbian
Authors: Jovicic Nevena , Petrovic Masa , Salovic Bojana , Matejic Aleksandar , Tomic Ana , Milanovic Nina , Scepanovic Teja , Alhayek Nabil , Soldatovic Ivan 
Published: April 2024

AbstractObjectiveThe aim of this study was to translate the Sinus and Nasal Quality of Life Surgery Survey into the Serbian language to evaluate the test‐retest reliability and validity.Study DesignThe study included 49 consecutive patients between 12 and 18 years old with rhinologic symptoms. Patients were given a paper survey to complete along with a link to complete the online survey within the same day.SettingThe study was conducted at the University Children's Hospital Clinic for Pulmonology and Allergology between January 2023 and March 2023.MethodsResponses between the paper and online survey were compared and regression analysis was performed to evaluate the relationship. Internal reliability and test‐retest reliability were assessed using Cronbach's α coefficient and intraclass correlation coefficient. All data were collected and analyzed using SPSS 29.0.ResultsPearson correlation coefficient between the paper and online survey was very high and statistically significant (r = 0.999; P < .001). Each item had a high correlation (0.993‐1.000), where the lowest correlation coefficient was obtained from question 2 (0.993). Average scores in each item differed slightly for only item 2 (mean difference = −0.041), but not to the level of statistical significance. Bland‐Altman plot indicated no proportional bias between the 2 versions. Linear regression analysis suggested a high level of agreement between the 2 versions (slope = 1.00, R2 = 0.999).ConclusionThe survey is a useful questionnaire to evaluate the quality of life in patients with rhinologic symptoms. The high correlation between the paper and online survey shows the reliability of the questionnaire regardless of administration modality.
Preparation and characterization of hybrid PLA biocomposites reinforced by wood and silane treated basalt fibers or compatibilized by maleic anhydride‐grafted polypropylene (MAPP)
Authors: Ermeydan Mahmut Ali , Aykanat Onur , Altın Yasin 
Published: April 2024

AbstractIn this study, basalt and/or beech wood fibers were treated with vinyltrimethoxysilane or compatibilized by maleic anhydride‐ grafted polypropylene (MAPP) to produce hybrid polylactic acid (PLA) biocomposites. Twin‐screw extruder was used to produce biocomposites, following by a hot press to form samples. Physical and mechanical properties of composites that were produced from both treated and untreated fibers were compared. Chemical, morphological, and thermal analysis of biocomposites were analyzed with TGA, FTIR and SEM, respectively. The results showed that silane treated basalt/wood fiber reinforced PLA (PBWS) and silane treated basalt reinforced PLA (PBS) have significantly better flexural strength than neat PLA. Besides, basalt reinforced bio‐composites except PBW3 and PBWM variations have significantly superior impact strength than neat PLA. Utilization of compatibilizers also reduced thickness swelling and water uptake features of biocomposites. All the above experimental data showed that the utilization of silane compatibilizer has better impact on properties than MAPP for such wood/basalt hybrid composite.Highlights
Hybrid biocomposites with wood and basalt fibers by using coupling agents were prepared for the first time.
Hybridization of organic and inorganic fibers gave promising results.
Silane and maleic anhydride compatibilization improves physical properties.
Vinyltrimethoxy silane grafted basalt fiber improves flexural strength significantly.
Silanization of wood or basalt fibers enhances significantly the impact strength.
Rapamycin suppresses rheumatoid arthritis fibroblast synovial cell proliferation and induces apoptosis via the AKT/mTORC1 pathway
Authors: Zhang Shengxiao , Hu Xiaorong , Su Qinyi , Zhang Heyi , Cheng Ting , Wang Jia , Pei Ruomeng , Li Xin , Zhang Ruqi , Shao Hongfang , Wang Caihong , Li Xiaofeng 
Published: April 2024

AbstractBackgroundRheumatoid arthritis (RA) is an autoimmune disease characterized by the overproliferation of synovial fibroblast‐like synoviocytes (FLSs) in the lining, leading to chronic inflammation and progressive joint damage. RA pathogenesis involves lymphocyte infiltration, increased synovial cell proliferation, and impaired cell death. This study investigated the effects of rapamycin on RA‐FLSs and explored the underlying molecular mechanisms.MethodsThe optimal drug concentration and time for rapamycin administration were determined using a cell counting kit‐8 assay. The concentration of rapamycin varied from 1 to 25 nmol/L. The mRNA expression levels of protein kinase B (AKT), mammalian target of rapamycin (mTOR), B cell lymphoma 2 (Bcl‐2), and Bcl‐2‐associated X protein (Bax) were quantified by real‐time polymerase chain reaction. Protein expression (p‐AKT, AKT, p‐mTOR, mTOR, pS6 kinase [S6K], S6K, p‐4E‐binding protein 1 [4EBP1], 4EBP1, Bcl‐2, Bax, caspase 3, caspase 9, cyclin‐dependent kinase 2 [CDK2], and CD1) were detected by Western blotting analysis.ResultsRapamycin suppresses RA‐FLS proliferation and induces apoptosis in a dose‐dependent manner. Rapamycin significantly elevated the protein expression of Bax (p < 0.01), caspase 3 (p < 0.05), and caspase 9 (p < 0.001), and downregulated Bcl‐2 expression (p < 0.01). Rapamycin increased Bax mRNA expression (p < 0.01) and decreased Bcl‐2 (p < 0.05), AKT (p < 0.05), and mTOR (p < 0.05) expression. Additionally, there was a marked reduction in the expression levels of p‐AKT(Ser473) (p < 0.01), p‐mTOR (Ser2448) (p < 0.01), p‐S6K1 (p < 0.01), and p‐4EBP1, CDK2, and CD1 (p < 0.01).ConclusionsRapamycin effectively inhibited proliferation and induced apoptosis of RA‐FLSs by targeting the AKT/mTORC1 pathway. These findings underscore the potential of rapamycin as a therapeutic candidate for addressing the dysregulated proliferation and inflammatory characteristics of RA. Further clinical investigations are required to validate its application in the management of RA.
Novel CQDs/BiOI Microspheres with Gradient Oxygen Vacancies for Efficient Photocatalytic Performance Boosting by the Synergism of Reactive Oxygen and Iodine Species
Authors: Niu Jiangtao , Zhou Yi , Zhang Jin , He Wanhong , Zhou Yinghong , Huang Guihua , Feng Dujie 
Published: April 2024

AbstractThe synergy of reactive oxidative species (ROSs: ⋅OH, ⋅O2− and 1O2) and reactive iodine species (RISs: ⋅I and ⋅I2−) is conclusive to driving organic pollutant degradation in various aquatic environments. Over the past years, rational design of Vis‐NIR responsive photocatalyst with enhanced photocatalytic performance has attracted drawing attention. Herein, CQDs/BiOI composites with up‐conversion photoluminescence (UCPL) properties and oxygen vacancies was constructed for tetracycline (TC) and oxytetracycline (OTC) degradation. The apparent kinetic constant of the 4‐CQDs/BiOI is 2.13 and 2.38 times on pure BiOI. The excellent photodegradation efficiency can be attributed to the enhanced light absorption originated from the up‐conversion property and improved charge separation efficiency. Furthermore, the iodine free radicals (⋅I) and superoxide free radicals (⋅O2−) played a crucial role in the photodegradation procedure. I− from BiOI could be partially oxidized to form ⋅I. At the same time, the electron capture traps formed by Oxygen vacancies can promote the production of ⋅O2−. Remarkably, the removal efficiency of TC and OTC was still maintained at 80 % by 4‐CQDs/BiOI under different water quality conditions due to the synergy of ⋅O2− with ⋅I. This work sheds light on a new treatment for the synergistic degradation of pollutants in complex water by RISs and ROSs.
Synthesis of Benzimidazole Based 1,2,4‐Triazole Derivatives as Potential Anticancer Agents: In Silico Techniques
Authors: Chandrakar Komal , Sureddy Naveen Kumar , Chedupaka Raju , Papisetti Venkatesham , Mahapatra S. P. , Penta Santhosh 
Published: April 2024

AbstractCompounds with a 1,2,4–triazole scaffold serve an essential role in organic synthesis, particularly in the synthesis of bioactive organic compounds; thus, the development of new approaches for modifying this scaffold is a very interesting framework of this study. To contribute to the development of an efficient method for the conversion of anticancer triazoles, a novel series of benzimidazole based 1,2,4‐triazoles was designed and synthesized. All the newly synthesized derivatives were characterized by NMR (1H &13C), FT–IR and mass spectrometry. Among the tested compounds, hybrids 5 b, 5 g exhibited exceptional anticancer susceptibilities with IC50=8.8±0.9, 9.2±1.5 μM against the tested HCA‐7cancer cell line. Anticancer profiles showed that compounds 5 d, 5 i had better anticancer inhibitory potency against a breast cancer cell line MCF‐7with IC50values 8.3±2.1, 10.6±1.2 μM, whereas 5 d, and 5 g showed potent anticancer activity against colorectal cancer cell line HT29 with IC50 values 7.1±±0.9, 7.7±1.2 μM respectively. From docking results, 5 d demonstrated highly stable binding amino acids LeuA : 2247, GlyA : 2449, SerA : 2409, HisA : 2379, AspA : 2373, LysA : 2318, IleA : 2317, IleA : 2246, IleA : 2412, AlaA : 2410, GlnA : 2452, AsnA : 2245, TyrA : 2243, and HisA : 2448, which play a crucial role enabling optimal ligand binding in a crystal structure tyrosine phosphatase mutated in colorectal cancer (PDB: 1WCH). Furthermore, the physicochemical and absorption, distribution, metabolism, and excretion (ADME) filtration molecular properties, estimation of bioactivity, and toxicity scores of these scaffolds were evaluated.
VT‐NMR Analysis of Rotation‐Inversion of N‐(4‐hydroxybutyl)‐N‐(2,2,2‐trifluoroethyl) tert‐butyl Carbamate: Utilizing the −CH2CF3 Appendage as a Reporter on E/Z‐Isomerization
Authors: Jameson Brian , Glaser Rainer 
Published: April 2024

AbstractThe rotational barrier about the CN carbamate bond of N‐(4‐hydroxybutyl)‐N‐(2,2,2‐trifluoroethyl) tert‐butyl carbamate 1 was determined by variable temperature (VT) 13C and 19F NMR spectroscopy. The −CH2CF3 appendage reports on rotational isomerism and allows for the observation of separate signals for the E‐ and Z‐ensembles at low temperature. The activation barrier for E/Z‐isomerization was quantified using Eyring‐Polanyi theory which requires the measurements of the maximum difference in Larmor frequency Δνmax and the convergence temperature Tc. Both Δνmax and Tc were interpolated by analyzing sigmoidal functions fitted to data describing signal separation and the quality of the superposition of the E‐ and Z‐signals, respectively. Methods for generating the quality‐of‐fit parameters for Lorentzian line shape analysis are discussed. Our best experimental value for the rotational barrier ΔGc≠(1)=15.65±0.13 kcal/mol is compared to results of a higher level ab initio study of the model N‐ethyl‐N‐(2,2,2‐trifluoroethyl) methyl carbamate.
Synergistic Effects in LaNiO3 Perovskites between Nickel and Iron Heterostructures for Improving Durability in Oxygen Evolution Reaction for AEMWE
Authors: Kim Nam In , Lee Jaehun , Jin Song , Park Junyoung , Jeong Jae‐Yeop , Lee Jooyoung , Kim Yangdo , Kim Chiho , Choi Sung Mook 
Published: April 2024

AbstractPerovskite materials that aren't stable during the oxygen evolution reaction (OER) are unsuitable for anion‐exchange membrane water electrolyzers (AEMWE). But through manipulating their electronic structures, their performance can further increase. Among the first‐row transition metals, nickel and iron are widely recognized as prominent electrocatalysts; thus, the researchers are looking into how combining them can improve the OER. Recent research has actively explored the design and study of heterostructures in this field, showcasing the dynamic exploration of innovative catalyst configurations. In this study, a heterostructure is used to manipulate the electronic structure of LaNiO3 (LNO) to improve both OER properties and durability. Through adsorbing iron onto the LNO (LNO@Fe) as γ iron oxyhydroxide (γ‐FeOOH), the binding energy of nickel in the LNO exhibited negative shifts, inferring nickel movement toward the metallic state. Consequently, the electrochemical properties of LNO@Fe are further improved. LNO@Fe showed excellent performance (1.98 A cm−2, 1 m KOH, 50 °C at 1.85 V) with 84.1% cell efficiency in AEMWE single cells, demonstrating great improvement relative to LNO. The degradation for the 850 h durability analysis of LNO@Fe is ≈68 mV kh−1, which is ≈58 times less than that of LNO.
Asset and deficit discourses of student ideas in science formative assessment co‐design
Authors: Fine Caitlin G. M. , Furtak Erin M. 
Published: April 2024

AbstractThe Framework for K‐12 Science Education set an ambitious goal of broadening participation in science learning for all students. Meeting this vision will involve supporting teachers in making meaningful connections with the cultural and linguistic resources their students bring to school; in essence, developing pedagogies that frame these resources as assets important to learning. In this manuscript, we present a qualitative case study of one community of high school science teachers who participated in a year‐long professional learning focused on formative assessment co‐design related to natural selection. Findings show that the process of formative assessment co‐design surfaced both deficit‐ and asset‐based statements about students' contributions. Teachers were more likely to share deficit‐based statements as compared to facilitators, whose statements were more asset‐based. This was particularly true with reference to students' prior knowledge and linguistic resources. At the same time, our analysis suggests that teachers were more likely to share more asset‐based framings of learners when practicing for and reflecting on enactment of formative assessment tasks. These findings suggest that supportive co‐design environments can encourage teachers to take more asset‐oriented views of learners. We discuss the implications of these findings for professional learning and science classroom practice.
White shame and white ambivalence in learning to be a well‐started White anti‐racist science teacher
Authors: McCausland Jonathan , McDonald Scott 
Published: April 2024

AbstractThis is a study intended to address white supremacy in science education. To accomplish this, we describe how one White intern, Boaz, learned to teach science in anti‐racist ways. By detailing how whiteness mattered in his learning to teach, we demonstrate that whiteness is potentially constant in White peoples' learning to teach science in anti‐racist ways. However, we conclude by suggesting that critical whiteness ambitious science teacher education, a merging of critical whiteness pedagogy with practice‐based science teacher education provides a potential way to address the presence of whiteness in science teacher education.
Mitigating topological freezing using out-of-equilibrium simulations
Authors: Bonanno Claudio , Nada Alessandro , Vadacchino Davide 
Published: April 2024

Abstract
Motivated by the recently-established connection between Jarzynski’s equality and the theoretical framework of Stochastic Normalizing Flows, we investigate a protocol relying on out-of-equilibrium lattice Monte Carlo simulations to mitigate the infamous computational problem of topological freezing. We test our proposal on 2d CPN−1 models and compare our results with those obtained adopting the Parallel Tempering on Boundary Conditions proposed by M. Hasenbusch, obtaining comparable performances. Our work thus sets the stage for future applications combining our Monte Carlo setup with machine learning techniques.
SocialLab: Durch Forschung und Zusammenarbeit hin zu einer nachhaltigen landwirtschaftlichen Nutztierhaltung
Authors: von Meyer-Höfer Marie , Hartmann Monika , Kenning Peter , Luy Jörg , Mergenthaler Marcus , Roosen Jutta , Spiller Achim , Christoph-Schulz Inken 
Published: April 2024

ZusammenfassungDas Projekt SocialLab, das im Jahr 2012 ins Leben gerufen wurde, zielt darauf ab, die Notwendigkeit von Verbesserungen in landwirtschaftlichen Nutztierhaltungssystemen, sowohl aus wissenschaftlicher als auch aus gesellschaftlicher Sicht anzugehen. Denn falls umfassende Veränderungen hin zu mehr Nachhaltigkeit bei der Produktion tierischer Lebensmittel nicht erreicht werden, besteht die Gefahr für die gesamte Branche, dass die gesellschaftliche Akzeptanz für tierische Lebensmittel verloren geht. Das Projekt verwendet einen multidisziplinären und partizipativen Ansatz und bezieht Verbraucherinnen und Verbraucher, landwirtschaftliche Betriebe, den Einzelhandel und Interessenvertretungen ein, um Erkenntnisse zu sammeln und Empfehlungen für Politik, Praxis und Forschung zu formulieren. Die Ergebnisse von SocialLab II sind in der gesamten landwirtschaftlichen Wertschöpfungskette von Bedeutung: Landwirtschaftliche Betriebe erhalten Einblicke in markt- und gesellschaftliche Anforderungen, was ihr Vertrauen in die Gestaltung neuer Tierhaltungssysteme stärken könnte. Darüber hinaus bietet SocialLab II ein Monitoring-Tool für politische Entscheidungsträger, um Veränderungen in der gesellschaftlichen Wahrnehmung und Akzeptanz der Nutztierhaltung zu messen. Dieses Tool ermöglicht auch eine Anleitung zur Gestaltung des rechtlichen Rahmens für die Nutztierhaltung. Der Einzelhandelssektor kann von den Einblicken zum Einfluss von Preisstrategien und Tierwohl-Labels auf das Kaufverhalten der Verbraucherinnen und Verbraucher profitieren. Zusammengefasst bietet die Infrastruktur von SocialLab die Gelegenheit für eine evidenzbasierte, partizipative, multidisziplinäre und situationsflexible Beteiligung an der Transformation der Nutztierhaltung in Deutschland.
The α-tubulin acetyltransferase ATAT1: structure, cellular functions, and its emerging role in human diseases
Authors: Iuzzolino Angela , Pellegrini Francesca Romana , Rotili Dante , Degrassi Francesca , Trisciuoglio Daniela 
Published: April 2024

AbstractThe acetylation of α-tubulin on lysine 40 is a well-studied post-translational modification which has been associated with the presence of long-lived stable microtubules that are more resistant to mechanical breakdown. The discovery of α-tubulin acetyltransferase 1 (ATAT1), the enzyme responsible for lysine 40 acetylation on α-tubulin in a wide range of species, including protists, nematodes, and mammals, dates to about a decade ago. However, the role of ATAT1 in different cellular activities and molecular pathways has been only recently disclosed. This review comprehensively summarizes the most recent knowledge on ATAT1 structure and substrate binding and analyses the involvement of ATAT1 in a variety of cellular processes such as cell motility, mitosis, cytoskeletal organization, and intracellular trafficking. Finally, the review highlights ATAT1 emerging roles in human diseases and discusses ATAT1 potential enzymatic and non-enzymatic roles and the current efforts in developing ATAT1 inhibitors.
Fast Decreasing Trigonometric Polynomials and Applications
Authors: Leviatan D. , Motorna O. V. , Shevchuk I. A. 
Published: April 2024

AbstractWe construct trigonometric polynomials that fast decrease towards $$\pm \pi $$

±
π

. We apply them to construct a trigonometric polynomial the derivative of which interpolates the derivative of a given $$2\pi $$

2
π

-periodic function, at some prescribed distinct points in $$[-\pi ,\pi )$$

[
-
π
,
π
)

, and vanishes at some other prescribed points in that interval. The construction requires that the function possesses derivatives where the interpolation is supposed to take place. Still, we are able to apply the result to trigonometric approximation of a $$2\pi $$

2
π

-periodic piecewise algebraic polynomial which is merely continuous, while interpolating its derivative at some points (that, obviously, are not knots).