bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular dynamics of liquid–electrode interface by integrating Coulomb interaction into universal neural network potential
Authors: Hisama Kaoru , Valadez Huerta Gerardo , Koyama Michihisa 
Published: August 2024

AbstractComputational understanding of the liquid–electrode interface faces challenges in efficiently incorporating reactive force fields and electrostatic potentials within reasonable computational costs. Although universal neural network potentials (UNNPs), representing pretrained machine learning interatomic potentials, are emerging, current UNNP models lack explicit treatment of Coulomb potentials, and methods for integrating additional charges on the electrode remain to be established. We propose a method to analyze liquid–electrode interfaces by integrating a UNNP, known as the preferred potential, with Coulomb potentials using the ONIOM method. This approach extends the applicability of UNNPs to electrode–liquid interface systems. Through molecular dynamics simulations of graphene–water and graphene oxide (GO)–water interfaces, we demonstrate the effectiveness of our method. Our findings emphasize the necessity of incorporating long‐range Coulomb potentials into the water potential to accurately describe water polarization at the interface. Furthermore, we observe that functional groups on the GO electrode influence both polarization and capacitance.
Zinc‐based metal–organic frameworks for encapsulation and sustained release of ciprofloxacin for excellent antibacterial activities
Authors: Rauf Abdul , Javed Mohsin , Jahangir Muhammad , Hassan Mehdi , Tariq Anam , Ali Wajahat , Bahadur Ali , Iqbal Shahid , Mahmood Sajid , Alotaibi Khalid M , Alshalwi Matar 
Published: August 2024

AbstractBACKGROUNDIn terms of crystalline nanoporous materials, metal–organic frameworks (MOFs) are relatively new. They are self‐assembling structures made of organic ligands that serve as linkers between metal centers and metal ions that function as coordination centers. Due to MOFs' high porosity, absence of nonaccessible bulk volume, vast surface areas and variety of pore sizes and topologies, drug delivery via them is becoming more and more common.RESULTSZn‐MOF and Zn‐MOF@drug were produced using a solvothermal approach in this study and characterized using a variety of methods, including Fourier transform infrared spectroscopy, powder X‐ray diffraction and scanning electron microscopy. Utilizing the zone of inhibition and minimum inhibitory concentration approaches, Zn‐MOF and Zn‐MOF@drug were evaluated for their antibacterial capability against Escherichia coli and Bacillus subtilis, two types of bacteria.CONCLUSIONThe antibacterial potential of Zn‐MOF@drug was greater than that of the metal salt, commercially available ZnO, Zn‐MOF and ligand alone. The mechanism of antibacterial activity of Zn‐MOF@drug was also discussed. © 2024 Society of Chemical Industry (SCI).
Versatile, open‐access opto‐mechanics design for optical microscopes prototyping
Authors: Zinkiewicz Łukasz , Królikowska Milena , Bojdecki Filip , Krupiński‐Ptaszek Alexander , Słota Przemysław , Wasylczyk Piotr 
Published: August 2024

AbstractPrototype optical microscopes, built to pursue developments in advanced imaging techniques, need specific opto‐mechanical constructions: preferably with high flexibility in the elements' arrangement, easy access to the optical paths, straightforward integration with external optical subsystems—light sources and detectors—as well as good mechanical stability. Typically they are either built around an adapted commercial microscope body or as a home‐brewed setups, based on standard opto‐mechanical elements, and neither solution delivers the desired characteristics. We developed a series of versatile microscope design for prototype optical microscopes in various configurations that use folding mirror(s) to maintain the optical paths horizontal throughout most of the setup. All prototypes use many standard opto‐mechanics in the excitation and detection paths, which simplifies the construction and maintenance of the microscopes. The proposed opto‐mechanical arrangement proved to be useful in building an upright as well as inverted microscopes, in particular Raman microscopes in various configurations. Horizontal arrangement simplified greatly the optical alignment and enabled for fast modifications in the setup—both key advantages at the prototyping stage. Last but not least, the laser safety of the optical system increased. The versatile microscope platform, based around the idea of the horizontal beam arrangement, can easily be adopted to many microscope configurations and to a variety of components that potential users might want to incorporate into them.Research Highlights
We design, fabricate, and test a compact, versatile opto‐mechanics for prototyping optical microscopes in various configurations.
Horizontal layout along most of the optical paths provides excellent access to the light beams, allows for using standard components and increases the laser safety.
Is there an “optimal” diet for prevention of inflammatory bowel disease?
Authors: Yao Chu K , Fitzpatrick Jessica , Machado Priscila , Staudacher Heidi M 
Published: August 2024

AbstractNutritional epidemiological studies have evolved from a focus of single nutrients to diet patterns to capture the protective role of healthy diets on chronic disease development. Similarly, in inflammatory bowel disease (IBD), a healthy diet may be protective against its development in individuals with genetic susceptibility, but the definitions of the optimal diet pattern deserve further exploration. Hence, this review article presents evidence, mainly from prospective cohort studies, for the role of diet quality based on adherence to dietary guidelines, traditional and modern diet patterns in the prevention of IBD. Findings from a limited number of studies on diet quality suggest that high diet quality scores are associated with lower risk of developing Crohn's disease, but the data are inconsistent for ulcerative colitis (UC). There are signals that a Mediterranean diet pattern reduces the risk of Crohn's disease but, again, the data are inconsistent and further studies are much needed. Finally, the evidence is conflicting regarding the role of food additives, with difficulties in the assessment of their intake, namely non‐nutritive sweeteners and emulsifiers, precluding accurate assessment of a relationship with IBD risk. In contrast, emerging evidence for a role of ultra‐processed food in the development of Crohn's disease but not UC is identified. Given the potential influence of diet quality, a Mediterranean diet and ultra‐processed food intake on the risk of Crohn's disease, assessment and implementation of dietary advice for these patients need to be tailored. The search for an optimal diet for UC remains elusive and further research for increasing the evidence in the area is greatly needed.
Sleep quality is associated with reduced quality of life in inflammatory bowel disease through its interaction with pain
Authors: Barnes Alex , Bryant Robert V , Mukherjee Sutapa , Spizzo Paul , Mountifield Réme 
Published: August 2024

AbstractBackground and AimQuality of life is reduced in people with inflammatory bowel disease (IBD) and poor sleep is prevalent in people with IBD. This study aimed to investigate the influence of sleep on quality of life (QoL) in people with inflammatory bowel disease.MethodsAn online questionnaire was administered through three tertiary IBD centers, social media, and through Crohn's Colitis Australia. The questionnaire included the EQ‐5D‐5L measures of health‐related QoL, the Insomnia Severity Index, the Pittsburgh Sleep Quality Index (PSQI), and validated IBD activity and mental health scores.ResultsThere were 553 responses included with a diagnosis of Crohn's disease (62.2%), with over half on biologic therapy (53.1%). Poor sleep and clinically significant insomnia were associated with lower QoL (EQ‐5D‐5L scores: EQVAS, utility score, P < 0.001 for all). Sleep quality scores correlated with the EQ‐5D‐5L domains of “pain” (ρ 0.35, P < 0.001), “usual activities” (ρ 0.32, P < 0.001), and “depression‐anxiety” (ρ 0.37, P < 0.001). After adjusting for demographic variables, IBD activity, and depression and anxiety via multivariate regression, the “pain” domain continued to be associated with PSQI components “sleep quality” (P < 0.001), “sleep disturbance” (P < 0.001), and “sleep duration” (P < 0.001). Clinically significant insomnia was associated with a reduction in QoL (EQVAS, utility score) independent of IBD activity (P < 0.001) and of a similar magnitude to that seen with IBD activity.ConclusionHealth‐related QoL in IBD is influenced by aspects of sleep quality irrespective of IBD activity and mental health conditions. The presence of insomnia is associated with a reduction in health‐related QoL. Consideration should be given to sleep targeting interventional studies in an IBD population.
Color Maps: Facilitating the Clinical Impact of Quantitative MRI
Authors: Sollmann Nico , Fuderer Miha , Crameri Fabio , Weingärtner Sebastian , Baeßler Bettina , Gulani Vikas , Keenan Kathryn E. , Mandija Stefano , Golay Xavier , deSouza Nandita M. 
Published: August 2024

Presenting quantitative data using non‐standardized color maps potentially results in unrecognized misinterpretation of data. Clinically meaningful color maps should intuitively and inclusively represent data without misleading interpretation. Uniformity of the color gradient for color maps is critically important. Maximal color and lightness contrast, readability for color vision‐impaired individuals, and recognizability of the color scheme are highly desirable features. This article describes the use of color maps in five key quantitative MRI techniques: relaxometry, diffusion‐weighted imaging (DWI), dynamic contrast‐enhanced (DCE)‐MRI, MR elastography (MRE), and water‐fat MRI. Current display practice of color maps is reviewed and shortcomings against desirable features are highlighted.Evidence Level5Technical EfficacyStage 2
Pig manure addition promotes organic carbon sequestration dominantly contributed by mineral protection in upland red soil
Authors: Jia Long , Li Peng , Su Tong , Kong Dening , Chen Qianqian , Xu Li , Jiao Jiaguo , Hu Feng 
Published: August 2024

AbstractOrganic fertilizers are essential for enhancing soil organic carbon (SOC) levels and promoting sustainable agriculture. The mechanisms of carbon sequestration in upland red soils using various organic materials are not well understood. Here, the impact of various organic fertilization strategies on SOC fractions, functional groups, iron oxides, and soil aggregates was investigated to clarify the protective mechanisms underlying SOC preservation. Six fertilization regimes were examined: no fertilization (CK), mineral fertilizer (CF), 60% mineral fertilizer (RF), RF + straw (RFS), RF + pig manure (RFP), and RF + vermicompost (RFV). The results demonstrated that SOC contents significantly increased by 62.5% in RFP and 63.1% in RFV compared to the CF treatment, with particulate organic carbon (POC) being the primary contributor. Scanning electron microscopy and X‐ray photoelectron spectroscopy demonstrated that RFP and RFV treatments induced the formation of denser flock‐like aggregates and increased aromatic C content, respectively. Fourier transform infrared spectroscopy analysis indicated that RFV treatment exhibited the highest abundance of functional groups among all treatments. SOC and POC were highly positively correlated with soil chemical properties, soil aggregates, poorly crystalline iron oxides, and aromatic rings. Structural equation models indicated that pig manure and vermicompost directly promoted POC accumulation, while straw provided physical protection for POC by enhancing aggregate formation. Furthermore, pig manure indirectly facilitated the development of POC and mineral‐associated organic carbon via soil biochemical properties and iron oxides, respectively. Overall, the application of organic fertilizers enhanced the physical protection, mineral immobilization, and recalcitrance (alkyl C, aromatic C) of organic carbon, facilitating C sequestration and stability. This study highlights the importance of organic management in upland red soils for increasing SOC storage and maintaining global C balance.
Causal feedback loops modify lake chlorophyll a–nutrient relationships over two decades of nutrient reductions and climate warming
Authors: Fu Hui , Özkan Korhan , Johansson Liselotte Sander , Søndergaard Martin , Lauridsen Torben Linding , Yuan Guixiang , Jeppesen Erik 
Published: August 2024

AbstractUnderstanding how the causal feedback between phytoplankton and environmental drivers controlling the chlorophyll a (Chl a, as a proxy of phytoplankton biomass)–nutrient relationships are modulated under different ecosystem conditions is a major challenge in aquatic ecology. Using an empirical dynamic model (convergent cross mapping) on a 20‐yr dataset on 20 Danish lakes, we quantified hypothesized causal feedback networks for each lake and related them to lake system properties (e.g., mean water depth, nutrient concentrations and extent of reduction, climate warming) vs. the Chl a–nutrient relationship (estimated from generalized least square models). The results showed prevalent causal feedback across the studied lakes, which demonstrated clear patterns for the tested ecosystem variations. Weaker causal feedbacks were found in deeper lakes and lakes with larger warming trends, while stronger causal feedbacks appeared in lakes experiencing greater reductions of TP (total phosphorus) and TN (total nitrogen). Moreover, these causal feedbacks showed a strong and positive coupled pattern. Most of the causal feedbacks worked as enhancement loops, which promote the sensitivity of phytoplankton to TP, not least in shallow lakes with a high TP reduction, and as regulatory loops, which force a shift in the Chl a–TN relationship from a more negative slope in lakes experiencing a high nutrient reduction and weak warming to a positive slope in lakes with low nutrient reduction and stronger warming. Our findings suggest a mechanistic explanation of how internal feedbacks regulate the Chl a–nutrient relationships across a broad gradient of nutrient reductions, climate warming, and lake morphologies.
How real is real enough? Unveiling the diverse power of generative AI‐enabled virtual influencers and the dynamics of human responses
Authors: Sorosrungruang Tippayanet , Ameen Nisreen , Hackley Chris 
Published: August 2024

AbstractVirtual influencers in various forms are capturing a growing share of ad spend from human influencers. Followers respond to virtual influencers much as if they were human, with engagement rates and measures of trust and source credibility that rival their human counterparts. However, there is an acute need for more nuanced understanding of the differential characteristics of user engagement with human influencers and the many emerging forms, types and interactional characteristics of virtual influencers. We conduct an exploratory study of three parts. First, through an indepth review of the existing literature, we delineate the implications of unsettled taxonomies of virtual influencers by function and form, and we outline a revised typology. Second, our secondary review of virtual influencer literature, trade, and industry sources conceptualizes divergent factors influencing the persuasive capability of human and virtual influencers while identifying intersecting research themes. From this synthesis we induce suggestions for future research and practice. Finally, we assess, refine and adjust our framework through depth interviews with leading expert practitioners to generate six key findings to guide future researched‐backed virtual influencer practice and research.
Reconceptualizing the desire‐intention relationship in the Model of Goal Directed Behavior
Authors: Atakan S. Sinem , Bagozzi Richard P. 
Published: August 2024

AbstractThis research reconceptualizes the Perceived Behavioral Control–Desire–Intention relationship within the Model of the Goal‐Directed Behavior. First, it refines Perceived Behavioral Control by adopting the distinction made in the Theory of Planned Behavior literature between Self‐efficacy and Perceived Control. Then, utilizing the Desire‐Intention distinction and the motivation‐opportunity‐ability framework, it reinterprets the model antecedents and how they function. Specifically, it sheds light into the interaction of Desire, Self‐efficacy, and Perceived Control in the regulation of Intention and, subsequently, Behavior. Data from a two‐wave, online survey (N = 403) on healthy eating tests the proposed relationships. Findings reveal that Self‐efficacy and Perceived Control are distinct variables and should be included in models as such. More importantly, they interact to moderate the Desire‐Intention relationship. When Self‐efficacy is low, Perceived Control shapes the Desire‐Intention relationship. When Self‐efficacy is high, the impact of Perceived Control is limited. Perceived Control has a different impact than does Self‐efficacy: when Perceived Control increases, so does the effect of Self‐efficacy and vice versa. The results refine the explanatory mechanisms underlying intention formation while contributing to the fine‐tuning and improvement of the Model of the Goal Directed Behavior. We reveal that the mechanisms behind intention formation are more complex than originally hypothesized.
Mechanisms of resistance to tyrosine kinase inhibitor‐targeted therapy and overcoming strategies
Authors: Ou Xuejin , Gao Ge , Habaz Inbar A. , Wang Yongsheng 
Published: August 2024

AbstractTyrosine kinase inhibitor (TKI)‐targeted therapy has revolutionized cancer treatment by selectively blocking specific signaling pathways crucial for tumor growth, offering improved outcomes with fewer side effects compared with conventional chemotherapy. However, despite their initial effectiveness, resistance to TKIs remains a significant challenge in clinical practice. Understanding the mechanisms underlying TKI resistance is paramount for improving patient outcomes and developing more effective treatment strategies. In this review, we explored various mechanisms contributing to TKI resistance, including on‐target mechanisms and off‐target mechanisms, as well as changes in the tumor histology and tumor microenvironment (intrinsic mechanisms). Additionally, we summarized current therapeutic approaches aiming at circumventing TKI resistance, including the development of next‐generation TKIs and combination therapies. We also discussed emerging strategies such as the use of dual‐targeted antibodies and PROteolysis Targeting Chimeras. Furthermore, we explored future directions in TKI‐targeted therapy, including the methods for detecting and monitoring drug resistance during treatment, identification of novel targets, exploration of dual‐acting kinase inhibitors, application of nanotechnologies in targeted therapy, and so on. Overall, this review provides a comprehensive overview of the challenges and opportunities in TKI‐targeted therapy, aiming to advance our understanding of resistance mechanisms and guide the development of more effective therapeutic approaches in cancer treatment.
Indirect influence on the BDNF/TrkB receptor signaling pathway via GPCRs, an emerging strategy in the treatment of neurodegenerative disorders
Authors: Antonijevic Mirjana , Dallemagne Patrick , Rochais Christophe 
Published: August 2024

AbstractNeuronal survival depends on neurotrophins and their receptors. There are two types of neurotrophin receptors: a nonenzymatic, trans‐membrane protein of the tumor necrosis factor receptor (TNFR) family–p75 receptor and the tyrosine kinase receptors (TrkR) A, B, and C. Activation of the TrkBR by brain‐derived neurotrophic factor (BDNF) or neurotrophin 4/5 (NT‐4/5) promotes neuronal survival, differentiation, and synaptic function. It is shown that in the pathogenesis of several neurodegenerative conditions (Alzheimer's disease, Parkinson's disease, Huntington's disease) the BDNF/TrkBR signaling pathway is impaired. Since it is known that GPCRs and TrkR are regulating several cell functions by interacting with each other and generating a cross‐communication in this review we have focused on the interaction between different GPCRs and their ligands on BDNF/TrkBR signaling pathway.
A wideband fully enclosed coaxial‐to‐substrate‐integrated waveguide transition and its applications in a 1‐to‐4 radial power divider
Authors: Tao Bo , Liu Jiong , Yang Linna , Qing Zihao , Li Zhiyi 
Published: August 2024

AbstractAimed at the interconnection between coaxial transmission line and substrate‐integrated waveguide (SIW), a wideband coaxial‐to‐SIW transition was proposed and applied in a 1‐to‐4 radial power divider. First of all, a fan‐shaped region was designed on the end of a SIW transmission line. Then, a coaxial transmission line was inserted into this region. To improve the impedance matching at the coaxial port, a feeding ring was designed on the back of the transition where the coaxial line was inserted. Next, the transition was applied in a 1‐to‐4 radial power divider to realize an equal power division. Finally, to validate the correctness of the designs, prototypes were fabricated and measured. For the coaxial‐to‐SIW transition, measured reflection coefficient |S11| was less than −15 dB from 7.84 to 12.18 GHz. Transmission coefficient |S21| was between −0.52 and −0.24 dB. For the 1‐to‐4 radial divider, measured |S11| was less than −15 dB from 7.91 to 12.4 GHz, and the transmission coefficient was around −6.9 dB. Measurement and simulation agreed well with each other. Therefore, the proposed design can be used in coaxial‐to‐SIW interconnection scenarios.
Fiber laser tuning by means of nonthermal plasma as a temperature regulator
Authors: Tung Hao Jiun , Raja Ibrahim Raja Kamarulzaman , Azmi Asrul Izam , Husein Nor Ain , Vargas‐Rodriguez Everardo , Alresheedi Mohammed Thamer , Ng Eng Khoon , Mahdi Mohd Adzir 
Published: August 2024

AbstractThis work presents a technique to obtain wavelength tuning for a fiber laser with a nonthermal plasma‐based temperature regulator system and a fiber Bragg grating (FBG). The plasma effect was generated in a dielectric barrier discharge (DBD) reactor filled with helium as the carrier gas for plasma generation. The temperature characterization of the DBD reactor had shown that the nonthermal heating mechanism of plasma could manipulate gas temperature from 25°C to around 145°C in ~10 min. By exploiting the rapid temperature change of plasma, the reflected wavelength of the FBG can be tuned accordingly. At a discharge voltage of 3 kV, the fiber laser was tuned within a range of 2 nm with 11.9 pm/°C tuning resolution. The fiber laser exhibits a thermally stable emission with very low shifting at a constant temperature value.
A gain enhancement of compact UWB antenna based on a single FSS layer
Authors: Ksouri Elhachmi , Boufrioua Amel , Belazzoug Massinissa , Messaoudene Idris , Melouki Noureddine , Denidni Tayeb A. 
Published: August 2024

AbstractThe present work introduces a novel low‐profile antenna for UWB applications through the use of a frequency‐selective surface (FSS). The FSS reflector uses a 7 × 7 array with a unit cell of 12.4 × 12.4 mm. By incorporating this periodic structure, the antenna's peak gain reaches 11 dBi, covering a UWB frequency range from 3.01 GHz to 13.5 GHz. Both FSS and UWB antennae are printed on the same type of substrate (FR4‐epoxy). The gap between the FSS layer and antenna is a half wavelength (18 mm) to obtain the best performance. The fabricated optimized antenna prototype shows a reasonable accord between numerical and experimental results. These results are compared to the existing literature designs. Overall, the proposed antenna system has reduced complexity and size, while offering a very wide bandwidth and high gain, making it a good candidate for imminent wideband and high‐gain wireless communication systems.