bluuebunny/crossref_metadata_2025_split huggingface dataset:
Emissive Covalent Organic Frameworks: Improved Fluorescence via Flexible Building Blocks and Selective Sensing of Nitroaromatic Explosives
Authors: Zhang Yuwei , Wei Dongxue , Zhang Wenzhuo , Zhao Yanning , Luo Xiaolong , Li He 
Published: September 2024

Abstract2D covalent organic frameworks (COFs) are attractive for fluorescence sensing due to their lightweight, robust, and highly ordered porous structures. However, the highly conjugated structures between adjacent layers of covalent organic frameworks can often result in aggregation‐caused quenching (ACQ) properties. Here, the study designs two flexible hydrazone‐linked COFs to suppress ACQ effects, thereby enhancing their luminescent activities. Furthermore, the high density of nitrogen and oxygen atoms on these flexible walls serves as binding sites for hydrogen bonding interactions, indicating sensitivity and selectivity towards 2,4,6‐trinitrophenol detection.
Opinion Piece: New Plant‐Based Food Products Between Technology and Physiology
Authors: Schweiggert‐Weisz Ute , Etzbach Lara , Gola Susanne , Kulling Sabine E. , Diekmann Christina , Egert Sarah , Daniel Hannelore 
Published: September 2024

AbstractThe rapid growth of product sectors for plant‐based meat and dairy alternatives has raised significant scientific interest in their nutritional and ecological benefits. Here, it outlines the fractionation of plant‐based raw materials and describes the technologies applied in the production of meat and dairy substitutes. Moreover, the study describes the effects of these new products on human nutrient supply and metabolic responses. Examples of meat‐like products produced by extrusion technology and dairy alternatives are provided, addressing production challenges and the effects of processing on nutrient digestibility and bioavailability. In contrast to animal‐based products, plant‐based protein ingredients can contain many compounds produced by plants for defense or symbiotic interactions, such as lectins, phytates, and a wide range of secondary metabolites. The intake of these compounds as part of a plant‐based diet can influence the digestion, bioaccessibility, and bioavailability of essential nutrients such as minerals and trace elements but also of amino acids. This is a critical factor, especially in regions with limited plant species for human consumption and inadequate technologies to eliminate these compounds. To fully understand these impacts and ensure that plant‐based diets meet human nutritional needs, well‐controlled human studies are needed.
The Inhibitory Effects of the Natural Stilbene Piceatannol on Lactate Transport In Vitro Mediated by Monocarboxylate Transporters
Authors: Ibacache‐Chía Andrés P. , Sierralta Jimena A. , Schüller Andreas 
Published: September 2024

ScopeLactate, a signaling molecule and energy source, crosses membranes through monocarboxylate transporters (MCTs). MCT1 and MCT4 are potential cancer drug targets due to their role in metabolic reprogramming of cancer cells. Stilbenes, plant secondary metabolites found in several food sources, have anticancer effects, though their mechanisms of action are not well understood. This study links the anticancer activity of natural stilbenes to tumor cell lactate metabolism.Methods and resultsThe impact of resveratrol, pinostilbene, pterostilbene, rhapontigenin, and piceatannol on lactate transport is studied using a fluorescence resonance energy transfer (FRET)‐based lactate sensor. The viability and migration of cells expressing MCT1 or MCT4 are also evaluated. Piceatannol inhibits MCT1 effectively at low micromolar concentrations, with less effect on MCT4. All stilbenes significantly reduce cell viability and migration.ConclusionsThese findings indicate that both MCTs are stilbene targets, with piceatannol highlighted as a cost‐effective, low‐toxicity compound for studying MCTs in cancer, providing a new mechanism of action of the therapeutic and nutraceutical effects of natural polyphenols. This enriches the understanding of dietary polyphenols in cancer prevention and therapy.
Nonreciprocity of thermal radiation in attenuated total reflection‐mediated optical waveguide
Authors: Cui Xin , Gu Ziheng , Zheng Gaige 
Published: September 2024

AbstractFano resonance (FR) and the triggered nonreciprocal thermal radiation (NTR) in a Weyl semimetal (WSM)‐ incorporated Kretschmann configuration has been observed and analyzed. Employing the anisotropic permittivity tensor, the electromagnetic responses of the proposed layered structure have been studied, and we illustrate that FR and strong nonreciprocity is attributed to the coupling between the planar waveguide mode and surface plasmon polaritons in WSM. It is shown that absorptivity (α) is not consistent with emissivity (e) in the considered angular range, which confirms near‐complete violation of Kirchhoff's law with nonmagnetic WSM. To analyze the physical origin of NTR, we performed numerical calculations for the α, e, nonreciprocity (η), as well as the magnetic field inside each layer. The compre‐hensive investigation of η with regard to geometric parameters suggests great potential for the practical use of perfect absorption and NTR over a wide range of frequencies and layer thicknesses.
Minimale Interaktion für optimale Leistung
Authors: Neumann Stephan 
Published: September 2024

AbstractBioinerte (Ultra‐)High‐Performance‐Liquid‐Chromatography‐Systeme sind vielversprechend, um Oligonukleotide zu analysieren: Sie reduzieren die Wechselwirkungen zwischen den reaktiven Biomolekülen und dem System auf ein Minimum. Dies ermöglicht eine verlässliche Analytik, die präziser ist als bisher.
Sonnen‐ und Windenergie speichern
Authors: Roduner Emil , Franz Klaus‐Dieter , Osterland Thomas , Hübinger Wolfgang , Staniek Peter 
Published: September 2024

AbstractDas größte Problem der Energiewende besteht in der zeitlichen und örtlichen Diskrepanz zwischen Strombereitstellung und ‐nutzung. Deshalb sind flexible Speicherkapazitäten und Batterietypen notwendig. Insgesamt verlangt dies, die heutige Netzstruktur neu zu konzeptionieren. Die Chemie ist über materialwissenschaftliche, elektrochemische und thermodynamische Techniken beteiligt.
Determination of the effect of the pre‐surgery COVID‐19 fear level and hygiene behaviours of the patients on the personal protective clinical measures developed after the surgery: A cross‐sectional study
Authors: Baş Nilgün Sert , Ayhan Hatice 
Published: September 2024

AbstractAimThis study aims to examine patients' preoperative COVID‐19 fear levels, hygiene behaviours, postoperative personal protective clinical measures, and their correlations with each other.DesignThis research is a cross‐sectional type of study.MethodsThe study sample consisted of 131 patients hospitalized in the general surgery inpatient ward of a hospital in Turkey. The sample was determined by G‐Power analysis. The data were collected in two stages in a research hospital between 1 April 2021 and 1 March 2022. Sociodemographic and Clinical Information Form, COVID‐19 Fear Scale, COVID‐19 Hygiene Scale were used before surgery; COVID‐19 personal protective clinical measures questionnaire was used after surgery. Descriptive statistics, independent t‐test, ANOVA test, Wilcoxon test and Spearman correlation analysis were used to evaluate the data.ResultsIt was determined that preoperative COVID‐19 fear levels, hygiene behaviours, and the personal protective clinical measures developed after the surgery were above moderate. A statistically significant and positive correlation was found between the COVID‐19 Fear Scale and the preoperative COVID‐19 Hygiene Scale and postoperative COVID‐19 personal protective clinical prevention questionnaire total score and sub‐dimension score averages. Patients' COVID‐19 fears, preoperative and postoperative hygiene behaviours are statistically significantly associated with each other at a low level; postoperative clinical precautions and preoperative hygiene behaviours are statistically significantly associated with each other at a high level.ConclusionThe results of this study show that patients are terrified of COVID‐19 while they are hospitalized due to surgical intervention during the pandemic process, and they increase their hygiene measures. It is thought that the results of the study will guide the regulation of clinical measures, patient education, and nursing care to be developed for patients during pandemic periods.Patient or Public ContributionNo patient or public contribution.
Dissecting the immune infiltrate of primary luminal B‐like breast carcinomas in relation to age
Authors: Hatse Sigrid , Lambrechts Yentl , Antoranz Martinez Asier , De Schepper Maxim , Geukens Tatjana , Vos Hanne , Berben Lieze , Messiaen Julie , Marcelis Lukas , Van Herck Yannick , Neven Patrick , Smeets Ann , Desmedt Christine , De Smet Frederik , Bosisio Francesca Maria , Wildiers Hans , Floris Giuseppe 
Published: September 2024

AbstractThe impact of aging on the immune landscape of luminal breast cancer (Lum‐BC) is poorly characterized. Understanding the age‐related dynamics of immune editing in Lum‐BC is anticipated to improve the therapeutic benefit of immunotherapy in older patients. To this end, here we applied the ‘multiple iterative labeling by antibody neo‐deposition’ (MILAN) technique, a spatially resolved single‐cell multiplex immunohistochemistry method. We created tissue microarrays by sampling both the tumor center and invasive front of luminal breast tumors collected from a cohort of treatment‐naïve patients enrolled in the prospective monocentric IMAGE (IMmune system and AGEing) study. Patients were subdivided into three nonoverlapping age categories (35–45 = ‘young’, n = 12; 55–65 = ‘middle’, n = 15; ≥70 = ‘old’, n = 26). Additionally, depending on localization and amount of cytotoxic T lymphocytes, the tumor immune types ‘desert’ (n = 22), ‘excluded’ (n = 19), and ‘inflamed’ (n = 12) were identified. For the MILAN technique we used 58 markers comprising phenotypic and functional markers allowing in‐depth characterization of T and B lymphocytes (T&B‐lym). These were compared between age groups and tumor immune types using Wilcoxon's test and Pearson's correlation. Cytometric analysis revealed a decline of the immune cell compartment with aging. T&B‐lym were numerically less abundant in tumors from middle‐aged and old compared to young patients, regardless of the geographical tumor zone. Likewise, desert‐type tumors showed the smallest immune‐cell compartment and were not represented in the group of young patients. Analysis of immune checkpoint molecules revealed a heterogeneous geographical pattern of expression, indicating higher numbers of PD‐L1 and OX40‐positive T&B‐lym in young compared to old patients. Despite the numerical decline of immune infiltration, old patients retained higher expression levels of OX40 in T helper cells located near cancer cells, compared to middle‐aged and young patients. Aging is associated with important numerical and functional changes of the immune landscape in Lum‐BC. © 2024 The Author(s). The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
A latent transition analysis of bullying victimization among Chinese adolescents: Links with peer and teacher–student relationships
Authors: Wang Zhongjie , He Jingke , Wang Xuezhen , Peng Ying , Zheng Juanjuan 
Published: September 2024

AbstractBullying victimization is a significant public health concern and has been associated with various mental health problems. This study aims to investigate the heterogeneity and transition patterns of bullying victimization among Chinese adolescents, and the influence of interpersonal relationships on the dynamic process of victimization over a 12‐month period. The valid sample consists of 1246 adolescents (51.8% girls) in seventh–eighth grade, aged 11–15 years (Mage = 13.58, SD = 0.75) at the first measurement. Latent profile analysis and latent transition analysis were utilized to identify latent profiles and transition patterns of victimization among adolescents. The results revealed three subgroups based on the forms and severity of victimization: the high victimized group, the moderately victimized group, and the low victimized group. The low victimized group is the most stable. Individuals who initially belong to low victimized group rarely transition into moderately or high victimized groups over time. The moderately and high victimized groups changed greatly, with both showing a trend of decreasing levels of victimization. Peer relationships played an important role in preventing victimization, but it was not found that teacher–student relationships had a significant predictive effect.
Saving lives, one breath at a time: The key role of noninvasive ventilation interfaces
Authors: Praud Jean‐Paul 
Published: September 2024

AbstractHome noninvasive ventilation (NIV) for children must consider the key role of the interface, in addition to selecting the ventilatory mode and settings. Acceptance and adherence to NIV often depend on the time spent selecting the right mask, as well as on regular and careful attention to preventing and addressing various issues that arise during NIV.
Dynamic movement patterns of commensal rodents Mastomys natalensis and Rattus rattus: determining differential habitat use using Rhodamine B
Authors: Mkomwa Herieth , Makundi Rhodes , Belmain Steven , Rija Alfan A. , Massawe Apia , Ponchon Aurore , Selemani Mwajabu , Espinaze Marcela P.A. , Telfer Sandra 
Published: September 2024

AbstractBACKGROUNDUnderstanding movement patterns of rodent pests is essential for planning management strategies. Currently, for many rural village contexts, there is limited information on how rodents move between domestic and peridomestic areas, and the surrounding habitats. We investigated movement of the multimammate rat, Mastomys natalensis and the black rat, Rattus rattus in nine villages in Kilombero District, Tanzania. We used Rhodamine B (RhB) baits placed inside houses (R. rattus preferred habitat) in five villages and placed outside (M. natalensis preferred habitat) in four villages.RESULTSWhilst both species were rarely captured in their nonpreferred habitat (5% M. natalensis inside houses; 23% R. rattus outside houses), evidence of RhB consumption when bait was in nonpreferred habitat was high for both species (50% M. natalensis; 57% R. rattus), indicating frequent movement to nonpreferred habitats. Whilst R. rattus movement distances were consistent with previous studies (maximum 81 m), within our village context, M. natalensis moved further (maximum 132 m) compared to previous published studies. Although bait consumption rates varied seasonally, we found no evidence that utilization of nonpreferred habitat varied seasonally. M. natalensis females moved into houses more frequently than males, whilst immature R. rattus moved outside houses more than mature individuals.CONCLUSIONThese findings highlight the dynamic movement patterns of commensal rodents with implications for control and disease transmission. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Assessing the Operational Characteristics of the Individual Causal Association as a Metric of Surrogacy in the Binary Continuous Setting
Authors: Ong Fenny , Molenberghs Geert , Callegaro Andrea , Van der Elst Wim , Stijven Florian , Verbeke Geert , Van Keilegom Ingrid , Alonso Ariel 
Published: September 2024

ABSTRACTIn a causal inference framework, a new metric has been proposed to quantify surrogacy for a continuous putative surrogate and a binary true endpoint, based on information theory. The proposed metric, termed the individual causal association (ICA), was quantified using a joint causal inference model for the corresponding potential outcomes. Due to the non‐identifiability inherent in this type of models, a sensitivity analysis was introduced to study the behavior of the ICA as a function of the non‐identifiable parameters characterizing the aforementioned model. In this scenario, to reduce uncertainty, several plausible yet untestable assumptions like monotonicity, independence, conditional independence or homogeneous variance–covariance, are often incorporated into the analysis. We assess the robustness of the methodology regarding these simplifying assumptions via simulation. The practical implications of the findings are demonstrated in the analysis of a randomized clinical trial evaluating an inactivated quadrivalent influenza vaccine.
Flow dependence of forecast uncertainty in a large convection‐permitting ensemble
Authors: Puh Matjaž , Tempest Kirsten , Keil Christian , Craig George C. 
Published: September 2024

AbstractThe flow dependence of forecast distributions is studied using a 120‐member ICON‐D2 ensemble for two representative case studies of weak and strong synoptic forcing of convection. The bootstrapping technique is used to investigate the convergence of sampling error for a range of surface and midtroposphere variables. Convergence is generally observed for the mean and the standard deviation, but not for the 95th percentile, especially in strong forcing. Additionally, maps of uncertainty are introduced, which allow for a more detailed analysis of the spatial pattern of uncertainty and facilitate the interpretation of the sources and evolution of forecast uncertainty in different synoptic forcing conditions. It is found that convection significantly increases uncertainty in model variables and shapes the spatial uncertainty pattern, with weak forcing leading to patchy uncertainty and strong forcing resulting in a more coherent pattern due to large convective systems. Overall, the main result of this work is the strong connection between uncertainty of forecast variables and convection, with synoptic forcing being crucial in determining the spatial distribution and uncertainty evolution within 24 h.
Impact of Parallel Gating on Gate Fidelities in Linear, Square, and Star Arrays of Noisy Flip‐Flop Qubits
Authors: De Michielis Marco , Ferraro Elena 
Published: September 2024

AbstractSuccessfully implementing a quantum algorithm involves maintaining a low logical error rate by ensuring the validity of the quantum fault‐tolerance theorem. The required number of physical qubits arranged in an array depends on the chosen Quantum Error Correction code and the achievable physical qubit error rate. As the qubit count in the array increases, parallel gating —simultaneously manipulating many qubits— becomes a crucial ingredient for successful computation. In this study, small arrays of a type of donor‐ and quantum dot‐based qubits, known as flip‐flop (FF) qubits, are investigated. Simulation results of gate fidelities in linear, square and star arrays of four FF qubits affected by realistic 1/f noise are presented to study the effect of parallel gating. The impact of two, three and four parallel one‐qubit gates, as well as two parallel two‐qubit gates, on fidelity is calculated by comparing different array geometries. The findings can contribute to the optimized manipulation of small FF qubit arrays and the design of larger ones.
Ultrasound Irradiated Synthesis and Characterization of Dispiropyrrolidines Grafted Rhodanine‐3‐acetic Acid Moiety: Anticancer and In Silico Activities
Authors: Sundaram Kaveri , Kannapiran Nagarajan , Ravi Subban , Balamurugan A. , K. N Shivakumara , Almutairi Tahani Mazyad , Raman Gurusamy , Balu Krishnakumar 
Published: September 2024

AbstractFourteen dispiropyrrolidines were synthesized through a [3 + 2] cycloaddition reaction using ultrasound irradiation involving isatin, sarcosine, and derivatives of 5‐benzylidine rhodanine‐3‐acetic acid and characterized using UV–visible, IR, and NMR analysis. The inhibitory potential of these compounds against the HeLa cell line was assessed using the MTT assay. Compounds 4i and 4j displayed promising activity, showing IC50 values of 71.41 µM and 70.54 µM, respectively. The exhibited inhibitory effects compared to Sorafenib, a reference drug with an IC50 of 10.78 µM. In pursuit of a better understanding of molecular interactions, a molecular docking study was performed employing AutoDock Vina, focusing on the HPV protein. Among the synthesized compounds, the most potent molecules 4i and 4j showed a binding affinity of −7.4 and −7.3 Kcal/mol, respectively.
A Molecular Simulation Study of Sulfonamide HBV Core Protein Allosteric Modulators
Authors: Zang Jieying , Liu Huan , Wang Bingli , Wang Mengmeng , Zhang En , Li Junxia , Ding Lina 
Published: September 2024

AbstractIn recent years, hepatitis B virus (HBV) core protein allosteric modulators (CpAMs) have become a hot spot to develop new anti‐HBV drugs. Sulfonamide analogues are a new class of CpAMs targeting HBV core protein (Cp), while their biological activity is still needed to be improved and the binding mechanism is unclear still. In this study, we utilized molecular docking and molecular dynamics simulation to explore the binding mode between the novel compounds and HBV Cp. Combining with binding free energy calculation and decomposition, we inferred that TyrE132, ValE124, ThrE128, ThrD109, and IleD105 were key residues during the binding process, and especially, the conformational change of TryE132 was responsible for the stable binding. Besides, reasonable CoMFA (q2 = 0.515, r2ncv = 0.994, and r2pred = 0.628) and CoMSIA (q2 = 0.602, r2ncv = 0.988, and r2pred = 0.681) models were constructed to explore the 3D structure‐activity relationship of the novel compounds. The results suggested that it was favorable to increase the biological activity of sulfonamide analogues when introducing hydrophobic groups to R1 and electronegative groups to R2. In conclusion, we explored the binding mode and structure‐activity relationship between sulfonamides and HBV Cp and provided a theoretical basis for the optimization of this series of compounds.
Perovskite Crystallization Control for Large, Oriented Grains with Residual Solvent Restrain via Hydrogen‐Bonded Organic Frameworks
Authors: Zhang Jindan , Tang Shicheng , Li Chi , Zhu Mengqi , Chen Liangji , Cai Lingjie , Cheng Zhibin , Xiang Shengchang , Zhang Zhangjing 
Published: September 2024

AbstractVoid‐free perovskite films with oriented large grains are considered good performance. However, contradictory requirements on solvent volatilization arise that the growth of large grains requires slow volatilization while the residual solvent problem, which leads to difficult‐handled voids at buried interface, requires quick and complete volatilization. Currently, although grain boundary additives help reach large and oriented grains, the occupation of additives in the grain boundary volatilization channel may further deteriorate the residual solvent problem. Herein, porous structures with “switchable pore” nature are constructed based on flexible hydrogen‐bonded (HOF‐FJU‐2) in perovskite grain boundaries to meet both contradictory requirements with achieving crystallization control and residual solvent restrain. The additive molecules prolongs the perovskite crystallization through the Pb‐O bond and guides the growth of (100) facet based on its strong ordered accumulation trend. The pre‐embedded porous structure opens up the solvent volatilization channel for complete volatilization in annealing stage and then switches to a closed pore state via phase transformation after the solvent completely leaves, preventing the intrusion of the external environment. Combined with theoretical calculations and in situ spectrum tests, the crystallization thermodynamics and dynamics are analyzed. As expected, the target device exhibits enhanced performance (improved from 22.14% to 24.18%) and stability.