bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Strategy for Designing Multifunctional TADF Materials for High‐Performance Non‐doped OLEDs by Intramolecular Halogen Bonding
Authors: Ge Xiangyu , Li Gaoyu , Guo Danman , Yang Zhan , Mao Zhu , Zhao Juan , Chi Zhenguo 
Published: December 2023

AbstractThe development of multifunctional thermally activated delayed fluorescence (TADF) material with high efficiency is indeed a formidable challenge. The difficulty arises from the need to achieve multiple desirable radiation pathways simultaneously during the emission process. In this context, a novel strategy to construct multifunctional emitters with high emission efficiency by modulating intramolecular halogen bonding through structural isomerism is proposed. The designed molecule DMAC‐2FDPS exhibits multifunctional features, including aggregation‐induced emission, mechanochromic luminescence, room temperature phosphorescence, mechanoluminescence, and TADF. Notably, in neat film, DMAC‐2FDPS demonstrates an exceptionally high photoluminescence quantum efficiency of up to 93%. Through single‐crystal analysis and theoretical calculations, it is revealed that the intramolecular halogen bonding in this molecule plays a crucial role in achieving both multifunctional emission and high PLQY. Furthermore, when utilized in non‐doped organic light‐emitting diodes (OLEDs), DMAC‐2FDPS achieves a maximum external quantum efficiency of up to 21.2%. To the best acknowledge, it is almost the highest efficiency for non‐doped OLEDs based on multifunctional materials with five characteristics. These results certify a new strategy for the development of high‐efficiency multifunctional TADF materials and devices.
Color‐Tunable Room Temperature Afterglow of Non‐Conventional Organogels for Dynamic Anti‐Counterfeiting
Authors: Xiang Juanjuan , Shi Yi , Jiang Jiayu , Yan Jiaying , Xiao Shuzhang , Lin Huamiao , Yi Tao 
Published: December 2023

AbstractLow‐molecular‐weight organogels with ultra‐long room temperature phosphorescent (RTP) are ideal materials for dynamic anti‐counterfeiting, due to their sensitive thermal‐responsive character. However, it is a great challenge to realize ultra‐long RTP in a single‐component organogel because conventional auxiliary groups for the promotion of gel formation are usually flexible, which increases non‐radiative decay through molecular motions to quench the RTP. Non‐conventional organogelators with rigid chemical structures may be able to alleviate the non‐radiative decay to maintain the phosphorescent characters in the gel state like in the crystalline state. In this work, potential low‐molecular weight phosphorescent organogelators with rigid chemical structures are predicted by using the descriptors derived from all‐atom molecular dynamics simulation, and successfully screen out two RTP non‐conventional organogelators. It is exciting that one of them exhibited ultra‐long RTP in the gel state. Furthermore, triplet‐to‐singlet Forster resonance energy transfer between the RTP gelator (donor) and fluorescent sulforhodamine 101 (SR101) (acceptor) in the gel state provided a long‐lived red fluorescence. Due to the sensitive thermal‐responsive property of organogel, the afterglow can be well switched between “on” and “off” with excellent fatigue‐resistant properties, which is promising for dynamic anti‐counterfeiting.
Stereospecific Indium(III)‐Catalysed Tandem Cycloisomerization of Functionalized 1,6‐enynes: Scope and Mechanistic Insights
Authors: Pérez‐Guevara Raquel , Sarandeses Luis A. , Álvarez Rosana , Martínez M. Montserrat , Pérez Sestelo José 
Published: December 2023

AbstractTandem cycloisomerization reactions of functionalized 1,6‐enynes under indium(III) catalysis are described. This atom‐economic transformation proceeds smoothly with 5‐exo‐dig regioselectivity using commercial In(III) halides and 1,6‐enynes furnished with alcohol, carboxylic acid or amine functional groups to give bicyclic structures in good yields and diastereoselectivities. The reaction with enynals involves a three–step mechanism to give an oxatricycle and a conjugated 1,3‐diene. In the absence of the internal nucleophile the enyne cycloisomerization evolves through a skeletal rearrangement or a cyclopropanation reaction after the regioselective 5‐exo‐dig cyclization. The 1,6‐enyne cycloisomerization is stereospecific and the stereoselectivity appears to be independent of the internal nucleophile. Experimental data support a common reaction mechanism involving an initial alkyne electrophilic π‐coordination of In(III) followed by Markovnikov electrophilic alkene addition and ring‐closure by nucleophilic attack. DFT studies hold up a stepwise mechanism involving the formation of a chiral non‐classical carbocation intermediate that determines the diastereoselectivity of this tandem cycloisomerization reaction.
CURATE.AI—Artificial Intelligence‐Derived Personalized Tacrolimus Dosing for Pediatric Liver Transplant: A Retrospective Study
Authors: Tan Shi‐Bei , Senthil Kumar Kirthika , Gan Tiffany Rui Xuan , Tan Lester W. J. , Truong Anh T. L. , Blasiak Agata , Aw Marion M. , Mali Vidyadhar Padmakar , Ho Dean 
Published: December 2023

AbstractTacrolimus is the cornerstone of immunosuppressive therapy after pediatric liver transplantation. However, reliance on the physician's experience for dose titration, coupled with tacrolimus's narrow therapeutic window and inter‐ and intrapatient variability, often results in frequent under or overdosing events with detrimental patient outcomes. Existing predictive dose personalization models are not readily feasible for clinical implementation, as they require multiple measurements each day while the standard frequency is once daily. CURATE.AI, a small‐data artificial intelligence‐derived platform, is developed as a clinical decision support system to dynamically personalize doses using the patient's own data obtained once a day. Retrospective dose personalization with CURATE.AI on 16 patients’ data demonstrates potential to enable more patients to reach therapeutic range within the first week. The findings support the testing of CURATE.AI in a prospective controlled trial as an aid for the physician's decision on tacrolimus dose personalization after pediatric liver transplantation.
Dual‐Loop Control Design for Dynamic Positioning Ships with Prescribed Performance
Authors: Gong Chenglong , Su Yixin , Li Mingyang , Zhang Danhong , Li Hangbiao 
Published: December 2023

AbstractDynamic positioning (DP) system is an advanced positioning system widely used in various special operation ships, and the design of control strategies to cope with different constraint conditions is the core technology of DP system research. In this study, a novel dual‐loop control law is proposed to effectively tackle the control challenges encountered by DP ships, particularly in the presence of input saturation and error constraints. Firstly, a saturation handling model is designed to avoid input saturation in the system. Subsequently, a dual‐loop DP control scheme is developed. The outer‐loop is responsible for the ship's position and heading control, while concurrently providing the command velocity signal essential for the inner‐loop. Specifically, a prescribed performance control strategy is designed in the outer‐loop to ensure precise control over positioning errors within predefined ranges and achieve desirable transient and steady‐state performance. The inner‐loop controls the ship's velocity signal, in which a feedback control law is designed based on Hamilton‐Jacobi‐Issacs (HJI) inequality to estimate generalized faults of the DP system. Finally, the proposed control law is validated through numerical simulations on a 76.2 m supply ship, demonstrating superior transient and steady‐state performance compared to existing methods.
A Strategic Comparison Between Monolayers of WX2N4(X≐Si, Ge) Toward Thermoelectric Performance and Optoelectronic Properties.
Authors: Das Chayan , Alam Mahfooz , Saikia Dibyajyoti , Betal Atanu , Gandi Appala Naidu , Sahu Satyajit 
Published: December 2023

AbstractNew 2D layered materials WX2N4(X≐Si, Ge)1 are suitable for thermoelectric applications for a pretty good value of the figure of merit (ZT). Here, the thermoelectric properties of the 2D monolayer of WX2N4(X≐Si, Ge) using Density Functional Theory (DFT) is investigated combined with Boltzmann Transport Equation (BTE) along with spin‐orbit coupling (SOC). An excellent thermoelectric of 0.91 (0.92 with SOC) is obtained at 900 K for p‐type WGe2N4, and a of 0.81 (0.86 with SOC) is observed for n‐type at the same temperature. Furthermore, the WGe2N4 showed a of more than 0.7 (0.79 with SOC) at room temperature for p‐type. On the other hand, the WSi2N4 showed a comparatively lower at room temperature. However, the value increases significantly at higher temperatures, reaching 0.72 (0.79 with SOC) and 0.71 (0.62 with SOC) for p and n‐type at 900 K, respectively. The electronic band structure is examined and discovered that WSi2N4 and WGe2N4 possess indirect bandgaps (BG) of 2.68 eV (2.57 eV with SOC) and 1.53 eV (1.46 eV with SOC), respectively, according to Heyd‐Scuseria‐Ernzerhof (HSE) approximation. These materials may also be useful in UV and visible range optoelectronic devices because of their strong absorption in the respective regions.
LncRNA LINK‐A Remodels Tissue Inflammatory Microenvironments to Promote Obesity
Authors: Chen Yu , Chen Hui , Wang Ying , Liu Fangzhou , Fan Xiao , Shi Chengyu , Su Xinwan , Tan Manman , Yang Yebin , Lin Bangxing , Lei Kai , Qu Lei , Yang Jiecheng , Zhu Zhipeng , Yuan Zengzhuang , Xie Shanshan , Sun Qinming , Neculai Dante , Liu Wei , Yan Qingfeng , Wang Xiang , Shao Jianzhong , Liu Jian , Lin Aifu 
Published: December 2023

AbstractHigh‐fat diet (HFD)‐induced obesity is a crucial risk factor for metabolic syndrome, mainly due to adipose tissue dysfunctions associated with it. However, the underlying mechanism remains unclear. This study has used genetic screening to identify an obesity‐associated human lncRNA LINK‐A as a critical molecule bridging the metabolic microenvironment and energy expenditure in vivo by establishing the HFD‐induced obesity knock‐in (KI) mouse model. Mechanistically, HFD LINK‐A KI mice induce the infiltration of inflammatory factors, including IL‐1β and CXCL16, through the LINK‐A/HB‐EGF/HIF1α feedback loop axis in a self‐amplified manner, thereby promoting the adipose tissue microenvironment remodeling and adaptive thermogenesis disorder, ultimately leading to obesity and insulin resistance. Notably, LINK‐A expression is positively correlated with inflammatory factor expression in individuals who are overweight. Of note, targeting LINK‐A via nucleic acid drug antisense oligonucleotides (ASO) attenuate HFD‐induced obesity and metabolic syndrome, pointing out LINK‐A as a valuable and effective therapeutic target for treating HFD‐induced obesity. Briefly, the results reveale the roles of lncRNAs (such as LINK‐A) in remodeling tissue inflammatory microenvironments to promote HFD‐induced obesity.
Design of Polymer Carriers for Optimized Pheromone Release in Sustainable Insect Control Strategies
Authors: Hellmann Christoph , Greiner Andreas , Vilcinskas Andreas 
Published: December 2023

AbstractSemiochemicals such as pheromones play a major role in communication between insects, influencing their spatial orientation, aggregation, defense, and mating. The rational chemical design of precision pheromone‐releasing materials are increased the efficiency of pheromone‐based plant protection agents. Decades of research is begun to unravel the complex communication structures regulated by semiochemicals, from the neuronal perception of specific chemical substances to the behavioral responses in hundreds of species, including many devastating pest insects. This article summarizes the most effective uses of semiochemicals in agriculture, the behavioral responses of selected target species, and controlled‐release strategies based on formulations such as novel fibrous polymer carriers. This study helps scientists, decision‐makers, farmers, and the public understand the importance of appropriate mating disruption techniques that reduce the need for broad‐spectrum insecticides and limit their impact on non‐target and beneficial insects.
Enhancing Composite Toughness Through Hierarchical Interphase Formation
Authors: Gupta Sumit , Sohail Tanvir , Checa Marti , Rohewal Sargun S. , Toomey Michael D. , Kanbargi Nihal , Damron Joshua T. , Collins Liam , Kearney Logan T. , Naskar Amit K. , Bowland Christopher C. 
Published: December 2023

AbstractHigh strength and ductility are highly desired in fiber‐reinforced composites, yet achieving both simultaneously remains elusive. A hierarchical architecture is developed utilizing high aspect ratio chemically transformable thermoplastic nanofibers that form covalent bonding with the matrix to toughen the fiber‐matrix interphase. The nanoscale fibers are electrospun on the micrometer‐scale reinforcing carbon fiber, creating a physically intertwined, randomly oriented scaffold. Unlike conventional covalent bonding of matrix molecules with reinforcing fibers, here, the nanofiber scaffold is utilized ‒ interacting non‐covalently with core fiber but bridging covalently with polymer matrix ‒ to create a high volume fraction of immobilized matrix or interphase around core reinforcing elements. This mechanism enables efficient fiber‐matrix stress transfer and enhances composite toughness. Molecular dynamics simulation reveals enhancement of the fiber‐matrix adhesion facilitated by nanofiber‐aided hierarchical bonding with the matrix. The elastic modulus contours of interphase regions obtained from atomic force microscopy clearly indicate the formation of stiffer interphase. These nanoengineered composites exhibit a ≈60% and ≈100% improved in‐plane shear strength and toughness, respectively. This approach opens a new avenue for manufacturing toughened high‐performance composites.
The Challenge of Superhydrophobicity: Environmentally Facilitated Cassie–Wenzel Transitions and Structural Design
Authors: Zhong Xin , Xie Shangzhen , Guo Zhiguang 
Published: December 2023

AbstractSuperhydrophobic materials can be used in various fields to optimize production and life due to their unique surface wetting properties. However, under certain pressure and perturbation conditions, the droplets deposited on superhydrophobic materials are prone to change from Cassie state to Wenzel state, which limits the practical applications of the materials. In recent years, a large number of works have investigated the transition behavior, transition mechanism, and influencing factors of the wetting transition that occurs when a superhydrophobic surface is under a series of external environments. Based on these works, in this paper, the phenomenon and kinetic behavior of the destruction of the Cassie state and the mechanism of the wetting transition are systematically summarized under external conditions that promote the wetting transition on the material surface, including pressure, impact, evaporation, vibration, and electric wetting. In addition, superhydrophobic surface morphology has been shown to directly affect the duration of the Cassie state. Based on the published work the effects of specific morphology on the Cassie state, including structural size, structural shape, and structural level, are summarized in this paper from theoretical analyses and experimental data.
Multiplexed Surface Electrode Arrays Based on Metal Oxide Thin‐Film Electronics for High‐Resolution Cortical Mapping
Authors: Londoño‐Ramírez Horacio , Huang Xiaohua , Cools Jordi , Chrzanowska Anna , Brunner Clément , Ballini Marco , Hoffman Luis , Steudel Soeren , Rolin Cédric , Mora Lopez Carolina , Genoe Jan , Haesler Sebastian 
Published: December 2023

AbstractElectrode grids are used in neuroscience research and clinical practice to record electrical activity from the surface of the brain. However, existing passive electrocorticography (ECoG) technologies are unable to offer both high spatial resolution and wide cortical coverage, while ensuring a compact acquisition system. The electrode count and density are restricted by the fact that each electrode must be individually wired. This work presents an active micro‐electrocorticography (µECoG) implant that tackles this limitation by incorporating metal oxide thin‐film transistors (TFTs) into a flexible electrode array, allowing to address multiple electrodes through a single shared readout line. By combining the array with an incremental‐ΔΣ readout integrated circuit (ROIC), the system is capable of recording from up to 256 electrodes virtually simultaneously, thanks to the implemented 16:1 time‐division multiplexing scheme, offering lower noise levels than existing active µECoG arrays. In vivo validation is demonstrated acutely in mice by recording spontaneous activity and somatosensory evoked potentials over a cortical surface of ≈8×8 mm2. The proposed neural interface overcomes the wiring bottleneck limiting ECoG arrays, holding promise as a powerful tool for improved mapping of the cerebral cortex and as an enabling technology for future brain‐machine interfaces.
The ability to inhibit impulses is related to social behavior in long‐tailed macaques
Authors: Overduin‐de Vries Anne M. , Vermande Marjolijn M. , Hessen David J. , Sterck Elisabeth H. M. 
Published: December 2023

AbstractPerformance in cognitive tasks has been linked to differences in species' social organization, yet to understand its function its relationship to within‐species variation in behavior should also be explored. One important cognitive capacity, the ability to inhibit impulses, is typically better in egalitarian than despotic primate species and in primate species with strong fission‐fusion dynamics. A different line of research indicates that a high ability to inhibit impulses is related to less aggressive behavior and more socio‐positive behavior. However, within species the relationship between performance on cognitive inhibition tasks and variation in social behavior remains to be explored. Here we investigate how performance in a typical inhibition task in cognitive research is related to aggressive and socio‐positive behavior in despotic long‐tailed macaques. Twenty individuals living in two naturalistic mixed‐sex groups were tested with the Plexiglass Hole Task. Aggressive behavior and three types of socio‐positive behavior (neutral/friendly approaches, socio‐positive signaling, and grooming others) among group members were measured. Individuals differed in their ability to inhibit impulses. Individuals that were not good at inhibiting impulses showed higher rates of aggressive behavior, but also more socio‐positive signals, whereas inhibition was not related to neutral/friendly approaches and grooming. These results confirm the positive link between impulsiveness and aggression. In addition, the results indicate that some social‐positive behavior may be enhanced when inhibition is limited. In this species, benefits potentially derived from aggression and socio‐positive signals match a low ability to inhibit impulses, suggesting that a low ability to inhibit impulses may actually be advantageous. To understand differences between species in cognitive skills, understanding the benefits of variation in a cognitive capacity within a species is crucial.
Tracking plasma biomarkers in cognitively unimpaired individuals at risk of Alzheimer’s disease
Authors: Suarez‐Calvet Marc 
Published: December 2023

AbstractAlzheimer’s disease (AD) is as a continuum that includes a preclinical phase, where individuals are cognitively unimpaired but there is evidence of amyloid‐β (Aβ) and tau pathology, followed by a clinical phase (including mild cognitive impairment and dementia). This preclinical phase is not a uniform or unvarying phase, but it is a long process during which Aβ and tau gradually accumulates until overt Aβ plaque deposition and neurofibrillary tangles are present. Moreover, this is a heterogeneous phase, there are differences in the rate of progression of those individuals that are Aβ‐positive to cognitive impairment and some of them will not even develop symptoms. It is important to develop biomarkers that accurately detect Preclinical AD, but also biomarkers to stage the disease, and prognostic biomarkers that identify those individuals that will progress to cognitive impairment. Furthermore, amid the new developments of disease modifying treatments, there is an unmet need to develop biomarkers to predict and monitor the response to an intervention.We now have a range of plasma biomarkers that detect symptomatic AD but also increase in Preclinical AD, including several epitopes of p‐tau (pT181, pT217, pT231), Aβ42/40, GFAP and NfL. Yet, there are differences between them. They may differ on which point of the long preclinical stage they start to increase, their discrimination accuracy, their longitudinal changes across the disease continuum or the physiopathological mechanism that they indicate. Moreover, the performance of plasma biomarkers may be influenced by sex and gender, race and ethnicity, or comorbidities. Therefore, the choice of the plasma biomarker may differ depending on its goal.In this presentation, plasma biomarkers in Preclinical AD will be reviewed and their differential roles will be discussed.
Neuropathological hallmarks in the eye: towards biomarkers for neurodegeneration
Authors: Hoozemans Jeroen 
Published: December 2023

AbstractThe retina, an extension of the central nervous system, has emerged as a valuable tool for the study of neurodegeneration, as it shares many structural and functional features with the brain. The retina is easily accessible and can be examined non‐invasively, making it an attractive target for the development of biomarkers for neurodegenerative diseases. Several neuropathological hallmarks have been identified in the retina that are associated with neurodegenerative diseases, such as Alzheimer’s disease (AD), Parkinson’s disease (PD), and frontotemporal lobar degeneration (FTLD). The identification of specific biomarkers in the retina may aid in the early detection and diagnosis of neurodegenerative diseases, as well as in the monitoring of disease progression and treatment efficacy.In order to progress these findings into reliable biomarkers, various aspects in this field require attention. Access to post mortem retina tissue, together with characterized brain tissue samples, is essential for the study of retinal pathology in relation to brain pathology. This will allow for the examination of the relationship between retinal and brain pathology and may provide important insights into the mechanisms underlying neurodegeneration. In addition, the assessment of retinal pathology requires standardized approaches, as there is currently no consensus on the methods used to evaluate retinal tissue. Standardized approaches are necessary to ensure the accuracy and reproducibility of results, as well as to facilitate comparison between different studies. Artificial intelligence (AI) has the potential to revolutionize the field of retinal pathology, as it can facilitate the identification of subtle changes in retinal structure that may be indicative of neurodegenerative disease.In conclusion, the retina has emerged as a valuable tool for the study of neurodegeneration. The identification of neuropathological hallmarks in the retina, increased understanding of retinal pathology in relation to brain pathology, standardized approaches for the assessment of pathology, access to post mortem retina tissue, and the use of AI all have the potential to advance the field of retinal pathology and aid in the development of biomarkers for neurodegenerative diseases.