bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring Ion Channel Magnetic Pharmacology: Are Magnetic Cues a Viable Alternative to Ion Channel Drugs?
Authors: Zablotskii Vitalii , Polyakova Tatyana , Dejneka Alexandr 
Published: December 2024

ABSTRACTWe explore the potential of using magnetic cues as a novel approach to modulating ion channel expression, which could provide an alternative to traditional pharmacological interventions. Ion channels are crucial targets for pharmacological therapies, and ongoing research in this field continues to introduce new methods for treating various diseases. However, the efficacy of ion channel drugs is often compromised by issues such as target selectivity, leading to side effects, toxicity, and complex drug interactions. These challenges, along with problems like drug resistance and difficulties in crossing biological barriers, highlight the need for innovative strategies. In this context, the proposed use of magnetic cues to modulate ion channel expression may offer a promising solution to address these limitations, potentially improving the safety and effectiveness of treatments, particularly for long‐term use. Key developments in this area are reviewed, the relationships between changes in ion channel expression and magnetic fields are summarized, knowledge gaps are identified, and central issues relevant to future research are discussed.
Greening the Pharmaceutical Supply Chain
Authors: Belal Md Mostain , Shukla Vinaya , Balasubramanian Sreejith 
Published: December 2024

ABSTRACTThe pharmaceutical sector is critical from a life‐saving perspective. However, it also poses significant environmental challenges due to large consumptions of non‐renewable materials and energy, as also extensive by‐product and waste generation. Addressing these issues is paramount, though surprisingly, research on it has largely been theoretical, fragmented and incomplete. These shortcomings are sought to be addressed in this work where a comprehensive green supply chain management (GSCM) framework for the sector is first developed through a systematic literature review. It is then empirically assessed and validated for UK's pharmaceutical sector through 47 interviews and analyses of 112 corporate environmental reports that covered all key stakeholders. Innovative and Bio‐pharma players were found to be at the forefront of the greening efforts with generic players lagging behind. High levels of solvent recycling, AI‐based drug design, and emphasis on Ecopharmacovigilance were observed for the Innovative players. The key drivers for greening were found to be regulatory pressures (e.g., f‐gas, ERA, IED) and cost saving potential, with their influence being particularly greater for the Innovative players. Similarly, complex marketing authorization process, high investment requirements, lack of green culture and time pressure were revealed as the key barriers to greening. On the downstream side, lack of environment‐related regulatory guidance on prescribing and contradictory regulatory guidance on disposing unused/expired drugs were identified as factors having a significant impact on the environmental loading of drugs. Overall, the study findings can help assess the green readiness of the sector, as also develop stakeholder‐specific policy interventions and support mechanisms to increase green adoption.
Anticipating a Museum Visit: The Role of Museum Design in Anticipating Hedonic or Eudaimonic Well‐Being Experiences
Authors: Dragija Marta Šveb , van Zomeren Martijn , Hansen Nina 
Published: December 2024

ABSTRACTThrough their design, museums can craft specific experiences for their visitors, ranging from more hedonic to more eudaimonic well‐being experiences. Little is known, however, about whether potential visitors anticipate eudaimonic or hedonic well‐being experiences depending on how the museum design is described. To answer this question, we conducted three social‐psychological experiments with Croatian (Study 1, N = 128 and Study 3, N = 213) and American (Study 2, N = 289) participants. Participants in Study 1 and 2 read about either one of the two different hedonically designed museums or one eudaimonically designed museum which was the same across the studies, and then reported their anticipated well‐being and emotional experience. Particularly for Studies 1 and 3, our findings revealed strong support for the differentiation of eudaimonic and hedonic well‐being in the anticipation of different museum visits. Moreover, the anticipated eudaimonic experience moved beyond the typical positive hedonic experience by uniquely including both positive and negative emotions such as compassion, awe, sadness and guilt. We discuss the implications of our findings for modern psychological theorising on well‐being and emotions, and, in a more applied sense, the relevance of describing the design of museums to potential visitors to guide their anticipation of the museum experience.
Peptide Designs for Cell‐Interfacing Assemblies
Authors: Guo Pan , Jiang Yun‐Bao , Jiang Tao 
Published: December 2024

AbstractConstructing synthetic materials to interact with cells offers significant promise for understanding natural cellular processes and manipulating cell behaviors beyond nature's capabilities. Peptide assemblies are particular promising in this regard, as they have demonstrated efficacy in promoting cell differentiation, repair, and regeneration as supportive scaffolds. However, distinct gaps persist between natural and synthetic assembly systems in various aspects. This Concept review explores representative studies focusing on developing chemical strategies to design peptide assemblies with precise control over displayed molecules, adjustable molecular dynamics to modulate cell behaviors, and responsiveness to biological stimuli. This paper would inspire more fundamental studies on molecular assemblies and foster inter‐disciplinary interests in material applications, advancing the interplay between natural cells and synthetic materials.
An Ion Pair Receptor for Selective Solid‐Liquid Extraction of LiCl
Authors: Hyun Oh Ju , Joong Kim Min , Choi Jaewon , Chan Jeong Hae , Kuk Kim Sung 
Published: December 2024

AbstractWe have synthesized a new ion pair receptor (2) consisting of a cone‐calix[4]arene bearing a combination of ethyl esters and ethers as a cation binding site and a calix[4]pyrrole subunit acting as an anion binding site. Ion pair receptor 2 complexes LiCl, NaCl, and CsCl among alkali metal chloride salts with distinct complexation modes and affinities in 10 % methanol‐d4 in chloroform‐d. For instance, relatively small Li+ and Na+ cations are bound to the oxygen atoms of the functionalized calix[4]arene lower rim with Cl− being hydrogen bonded to the calix[4]pyrrole NHs while the larger Cs+ cation is bound to the cone‐shaped calix[4]pyrrole cavity via a π‐cation interaction. By contrast, in the co‐presence of all MCl salts (M=Li, Na, K, Rb, and Cs), receptor 2 binds LiCl with complete selectivity. Besides, receptor 2 is capable of extracting LiCl selectively into a chloroform or a dichloromethane organic phase from its solid source containing all other MCl salts.
Cross‐Transition‐Dipole Stacking of Conjugated Organic Molecules: Structure, Exciton Behavior and Optoelectronic Property
Authors: Li Weicong , Xie Zengqi 
Published: December 2024

AbstractOrganic conjugated molecules have gained widespread application as organic semiconductors due to their unique optoelectronic properties. The rigidity of these large conjugated structures facilitates strong intermolecular interactions, which significantly influence their properties in the solid state through various molecular arrangements. The study of the relationship among molecular arrangement, exciton behavior, and optoelectronic properties is an eternal research topic. Cross‐dipole stacking is a specific molecular arrangement that demonstrates unique characteristics and has received continuous attention over the past decades. This mini‐review will first discuss the unique exciton behaviors in cross‐dipole stacking based on exciton models, including weak exciton coupling and suppression of Förster resonance energy transfer. These exciton behaviors, determined by molecular stacking arrangements, are fundamental to the optoelectronic properties of cross‐dipole stacking systems. Next, we will introduce well‐defined cross‐dipole systems and summarize their design principles from a molecular structure perspective. Finally, we will present the specific optoelectronic properties of cross‐dipole stacking systems and their outstanding performance, such as high solid‐state luminescence, good charge carrier mobility, and significant CD/CPL. Through this mini‐review, we hope to enhance the understanding of cross‐dipole stacking, contributing to the construction of such systems, the exploration of excited‐state behaviors, and the discovery of high‐performance materials.
Untersuchung der Sortierbarkeit kohlenstofffaserverstärkter Kunststoffe mittels induktiver Sensorik
Authors: Niebel Philipp Karsten , Krampitz Thomas , Datiy Anastasia , Valenas Adrian , Lieberwirth Holger 
Published: December 2024

ZusammenfassungKohlenstofffaserverstärkte Kunststoffe (CFK) gewinnen u. a. im Leichtbausektor zunehmend an Bedeutung. Um hochwertige Kohlenstofffasern (CF) einer Kreislaufführung anzudienen, müssen diese zum Zweck der Qualitätssicherung von fremdfaserhaltigen Kunststoffen freigehalten werden. Weiterhin wird CFK mit den darin enthaltenen CF häufig als Störstoff bei der Behandlung gemischter Kunststoffabfälle eingestuft. Effektive Sortierverfahren für CFK sind deswegen von hoher Bedeutung für die gesamte Recyclingindustrie. Dieser Artikel befasst sich mit der Untersuchung der Detektion von CFK mit duroplastischer Matrix mittels induktiver Sensorik. Die systematische Variation unterschiedlicher Parameter des Aufgabeguts zeigt, dass CFK damit unter bestimmten Voraussetzungen sortierfähig ist.
Critical Convex‐Type ST Elevation Correlate With Ventricular Tachyarrhythmia in Takotsubo Cardiomyopathy
Authors: Hsu Jen‐Te , Hsiao Ju‐Feng , Chin See‐Khong , Hsu Yu‐Cheng , Lei Meng‐Huan 
Published: December 2024

ABSTRACTBackgroundVentricular tachyarrhythmia (VT) occasionally occurred in patients with Takotsubo cardiomyopathy (TC). Two convex‐type ST elevations were significantly related to VT in coronary artery disease.MethodsThis study assessed the correlation between VT and critical ECG patterns, as well other independent predictive factors of in‐hospital outcome. Fifty‐five consecutive patients fulfilled the diagnostic criteria of Takotsubo Italian Network (TIN) were retrospectively enrolled. The patients were classified into two groups according to their critical ECG patterns and VT occurrence. In‐hospital outcomes and influencing factors were analyzed.ResultsThe incidence of VT was higher in the critical ECG group than in the Noncritical ECG group (43.8% vs. 2.6%, p < 0.001). In‐hospital death was more common in the critical ECG group than in the Noncritical ECG group (25.0% vs. 5.1%, p = 0.032). The composite end‐point (combined VT and in‐hospital death) revealed significant differences between these two groups (50.0% vs 7.7%, p < 0.001). Multi‐variate analysis proved critical ECG type as one independent risk factor of VT (odds ratio [OR] = 61.8, p = 0.009) and the composite end‐point (OR = 12.4, p = 0.007). The prolong QRS width ( ≥ 105 ms) was another independent factor for predicting VT (OR = 1.06, p = 0.022) and composite end‐point (OR = 1.05, p = 0.017).ConclusionsCritical ECG types including tombstoning ST elevation and lambda‐wave ST elevation have strong impact on short‐term outcomes. Additionally, conduction disturbance with prolong QRS ≥ 105 ms also has independent predicting role for poor prognosis.
Hydrothermally Synthesized Cobalt‐Doped NiO Nanoflakes: Enhanced Electrochemical Performance for High‐Performance Supercapacitors
Authors: Jayakumar Suresh , Chinnappan Santhosh P. , Rishikesh K. V. , Radhamani A. V. 
Published: December 2024

AbstractThis study examines cobalt‐doped nickel oxide (Co‐NiO) nanomaterials synthesized through a hydrothermal method, focusing on their potential as high‐performance electrodes for supercapacitors. By varying cobalt dopant concentrations (X=0, 0.01, 0.05, 0.1), we aimed to enhance the electrochemical properties through strategic Co‐doping. The CoxNi1‐xO nanomaterials were characterized using several techniques, including X‐ray diffraction (XRD), UV‐visible spectroscopy, field emission scanning electron microscopy (FESEM), X‐ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), chronopotentiometry (CP), and electrochemical impedance spectroscopy (EIS). The analysis showed that Co‐doping preserved the NiO phase structure while significantly altering the morphology and electrochemical characteristics. The sample with (X=0.1) achieved a specific capacitance of 880 F/g at a current density of 1 A/g, significantly outperforming the undoped NiO, which had a capacitance of 335 F/g. Additionally, the Co‐NiO demonstrated 83.3 % capacitance retention after 1000 cycles at a current density of 10 A/g. These findings highlight the potential of Co‐NiO as an effective electrode material for supercapacitors.
High Extracellular K+ Skews T‐Cell Differentiation Towards Tumour Promoting Th2 and Treg Subsets
Authors: Wong Brandon Han Siang , Poh Zhi Sheng , Wei James Tan Chia , Amuthavalli Kottaiswamy , Ho Ying Swan , Chen Shuwen , Mak Shi Ya , Bi Xuezhi , Webster Richard D. , Shelat Vishalkumar G. , Chandy K. George , Verma Navin Kumar 
Published: December 2024

ABSTRACTPotassium ions (K+) released from dying necrotic tumour cells accumulate in the tumour microenvironment (TME) and increase the local K+ concentration to 50 mM (high‐[K+]e). Here, we demonstrate that high‐[K+]e decreases expression of the T‐cell receptor subunits CD3ε and CD3ζ and co‐stimulatory receptor CD28 and thereby dysregulates intracellular signal transduction cascades. High‐[K+]e also alters the metabolic profiles of T‐cells, limiting the metabolism of glucose and glutamine, consistent with functional exhaustion. These changes skew T‐cell differentiation, favouring Th2 and iTreg subsets that promote tumour growth while restricting antitumour Th1 and Th17 subsets. Similar phenotypes were noted in T‐cells present within the necrosis‐prone core versus the outer zones of hepatocellular carcinoma (HCC)/colorectal carcinoma (CRC) tumours as analysed by GeoMx digital spatial profiling and flow‐cytometry. Our results thus expand the understanding of the contribution of high‐[K+]e to the immunosuppressive milieu in the TME.
First Evidencing of Guest‐Induced Spin Transition for Dinuclear Fe(III) Complex Supported by Calix[4]Arene Schiff Base Ligand
Authors: Strelnikova Iuliia V. , Ovsyannikov Alexander S. , Pyataev Andrew V. , Islamov Daut R. , Litvinov Igor A. , Dorovatovskii Pavel V. , Solovieva Svetlana E. , Antipin Igor S. 
Published: December 2024

AbstractFor the first time the partial low spin (LS) ‐ high spin (HS) state transition back, caused by trapped guest molecule release from the macrocyclic cavity of calix[4]arene ligand, decorated with salicylideneamine coordinating binding sites, was evidenced for new dinuclear [FeIII2] diamond core cluster, displaying mixed cis‐/trans‐N2O4 coordination environment for metal centers. Such unique spin state transition behavior, triggered by the changing of calix[4]arene backbone conformation, giving rise to a new paradigm of fine‐tuning spin‐dependent functionality in materials design, was unambiguously established by the 57Fe Mössbauer spectroscopy in combination with the single crystal X‐ray diffraction, IR, TGA‐DSC analysis.
Bio‐Inspired Thiolate‐FeII‐Hydrazine Adduct Towards Iron‐Mediated C−N Bond Formation
Authors: Cassandrini Irene , Philouze Christian , Simonneau Antoine , Koepf Matthieu , Duboc Carole , Gennari Marcello 
Published: December 2024

AbstractThe bio‐inspired dinuclear iron(II) complex [FeII(L)]₂ (L2−=2,2’‐(2,2’‐bipyridine‐6,6’‐diyl)bis(1,1’‐diphenylethanethiolate)), featuring alkyl thiolate ligands, was found to react with hydrazine (N₂H₄) to form an unprecedented alkyl thiolate‐supported FeII−N₂H₄ adduct, [LFeII(N₂H₄)]. This complex was characterized structurally by X‐ray crystallography, spectroscopically (1H NMR, UV‐vis, IR), and electrochemically. Unexpectedly, in CH3CN solution, [LFeII(N₂H₄)] gradually evolved to yield an FeII‐acetohydrazonohydrazide complex, [LFeII(H₂N₂C(CH₃)N₂H₃)], the C−N bond formation resulting from the reaction between N₂H₄ and CH₃CN mediated by the FeII ion. Its structure, confirmed by X‐ray diffraction on single crystals, reveals a η1‐coordination of the acetohydrazonohydrazide ligand. The proposed mechanism is based on the electrophilic activation of a CH3CN molecule by FeII, followed by the nucleophilic attack of a free hydrazine. This work expands the reactivity landscape of iron‐hydrazine complexes and provides new insights into potential pathways for N−N bond functionalization in nitrogen fixation processes.
Evaluation of the impact of climate change on rainfall for potential landslide triggering in Japan
Authors: Tsunetaka Haruka , Murakami Wataru , Nakao Katsuhiro , Mtibaa Slim 
Published: December 2024

AbstractIntense rainfall events associated with climate change may increase future landslide hazards. Therefore, future landslide probability should be constrained using rainfall projections from global climate models (GCMs). However, because landslides can occur in association with various rainfall patterns, such as short‐duration (few hours) intense rainfall to long‐term accumulated rainfall over a few days, general projections of daily rainfall are inadequate for evaluation of rainfall with landslide‐triggering potential. To address this problem, this study adopted a new approach using 72‐h GCM rainfall projections based on 100‐year rainfall return levels and applied it to 10 regions in Japan where landslides widely occur. We found that rainfall with landslide‐triggering potential becomes more frequent toward 2,100 in response to intensified global warming. In some regions, under the scenario that future greenhouse gas emissions continue to increase owing to inadequate regulation, intense rainfall with landslide‐triggering potential is projected to become more frequent and widespread, especially after approximately 2060. In relation to this projected spread of the areas of persistent rain, rainfall with landslide‐triggering potential might occur synchronously in two to five regions. However, even under the scenario that aerosol emissions are reduced rapidly to mitigate global warming, rainfall might intensify before 2060 in some regions, resulting in a projection of high landslide probability. The presented projections are not definitive and require further refinement; however, they do suggest that the impact of climate change on the frequency and region of hazard of landslide occurrence might change in the future depending on the effort made to mitigate global warming.
MTGWNN: A Multi‐Template Graph Wavelet Neural Network Identification Model for Autism Spectrum Disorder
Authors: Shan Shengchang , Ren Yijie , Jiao Zhuqing , Li Xiaona 
Published: December 2024

ABSTRACTFunctional magnetic resonance imaging (fMRI) has been widely applied in studying various brain disorders. However, current studies typically model regions of interest (ROIs) in brains with a single template. This approach generally examines only the connectivity between ROIs to identify autism spectrum disorder (ASD), ignoring the structural features of the brain. This study proposes a multi‐template graph wavelet neural network (GWNN) identification model for ASD called MTGWNN. First, the brain is segmented with multiple templates and the BOLD time series are extracted from fMRI data to construct brain networks. Next, a graph attention network (GAT) is applied to automatically learn interactions between nodes, capturing local information in the node features. These features are then further processed by a convolutional neural network (CNN) to learn global connectivity representations and achieve feature dimensionality reduction. Finally, the features and phenotypic data from each subject are integrated by GWNN to identify ASD at the optimal scale. Experimental results indicate that MTGWNN outperforms the comparative models. Testing on the public dataset ABIDE‐I achieved an accuracy (ACC) of 87.25% and an area under the curve (AUC) of 92.49%. MTGWNN effectively integrates brain network features from multiple templates, providing a more comprehensive characterization of brain abnormalities in patients with ASD. It incorporates population information from phenotypic data, which helps to compensate for the limited sample size of individual patients and improves the robustness and generalization of ASD identification.
Patterns of proximity and maternal‐infant engagement in a neonatal intensive care unit
Authors: Neugebauer Christine , Oh Wonjung , Mastergeorge Ann M. 
Published: December 2024

AbstractMother–infant relationship development is influenced by maternal presence, proximity, and the frequency and duration of engagement. Proximity and dyadic engagement can be challenging when an infant is hospitalized in a neonatal intensive care unit (NICU). This study examined patterns of maternal proximity and engagement in a NICU in the Southwestern United States and identified thematic categories of alternate activities to engagement. Trained observers conducted 52 h of NICU observations, documenting maternal presence, patterns of proximity, engagement, nonengagement, and alternate activities to nonengagement and focused engagement. Results include data from 88 mother–infant dyads. Of the time mothers were in proximity to their infants, 83% of these instances occurred without active engagement. In contrast, focused dyadic engagement was noted in 97% of these observations, while unfocused engagement was recorded in 65% of instances. Mothers in proximity but not actively engaged were most often observed using a smartphone, a trend that was also observed when mothers were in unfocused engagement during nurturing social contexts. While it is expected that occasional interruptions to mother–infant interaction in the NICU will occur, more studies are needed to determine the implications of both brief and prolonged disruptions during dyadic interactions on interaction quality in the NICU.
Cost Pass‐Through in Commodity Markets With Capacity Constraints and International Linkages
Authors: Ellwanger Reinhard , Gnutzmann Hinnerk , Śpiewanowski Piotr 
Published: December 2024

ABSTRACTWe examine how regional cost shocks are passed through into the prices of globally traded energy‐intensive commodities. We find that the pass‐through of local costs is influenced by production capacity in the short run. When capacity constraints become binding, the pass‐through of cost shocks to the constrained region diminishes to zero. Our application to the market for ammonia, a commodity largely produced from natural gas, demonstrates the significance of capacity constraints and international market linkages for empirical pass‐through models.