bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tunable Spinel Structure Phosphors: Dynamic Change in Near‐Infrared Windows and Their Applications
Authors: Huang Wen‐Tse , Chen Kuan‐Chun , Huang Ming‐Hsuan , Liu Ru‐Shi 
Published: July 2023

AbstractApplications in near‐infrared (NIR) have been explored significantly in many fields, including bioimaging, night vision, plant growth, and chemical analysis. Different emission profiles are required within the same industry. Developing luminescent materials with different tuning methods is reliable for controlling the NIR regions (NIR‐I, 700–1000 nm; NIR‐II, 1000–1700 nm). Spinel phosphors are promising candidates due to their ability to modulate the crystal field. Understanding the parameters that influence the degree of inversion in spinel compounds is crucial to harness the variability of the spinel structure. Cr3+ and Ni2+ are ideal activators for NIR‐I and NIR‐II emissions, respectively. However, there is a need for phosphors that emit in the NIR‐II region when excited by visible light. Although the energy transfer method combining two activators is considered, this review focuses on different types of spinel structures, discussing their types and common strategies to tune the host structure. The goal is to achieve desired shift and broadness of the entire NIR spectrum, highlighting the importance of spectrum tuning for practical applications.
Regiospecific Incorporation of Acetylene Linker in High‐Electron Mobility Dimerized Acceptors for Organic Solar Cells with High Efficiency (18.8%) and Long 1‐Sun Lifetime (> 5000 h)
Authors: Sun Cheng , Lee Jin‐Woo , Tan Zhengping , Phan Tan Ngoc‐Lan , Han Daehee , Lee Heung‐Goo , Lee Seungjin , Kwon Soon‐Ki , Kim Bumjoon J. , Kim Yun‐Hi 
Published: July 2023

AbstractThe commercialization of organic solar cells (OSCs) requires both high power conversion efficiency (PCE) and long‐term stability. However, the lifetime of the OSCs containing small‐molecule acceptors (SMA) should be significantly enhanced. In this study, a series of planarity‐controlled is developed, high electron mobility dimerized SMAs (DSMAs) and realize OSCs with high‐performance (PCE = 18.8%) and high‐stability (t80% lifetime = 5380 h under 1‐Sun illumination). An acetylene linker with a planar triple bond is designed for dimerization of SMA units to afford the high backbone planarity necessary to achieve high crystallinity and electron mobility. To further engineer the molecular conformation and electron mobility of the DSMAs, different regioisomers of a Y‐based SMA are dimerized to yield three regioisomerically distinct DSMAs, denoted as DYA‐I, DYA‐IO, and DYA‐O, respectively. It is found that the crystallinity, electron mobility, and glass transition temperature of the DSMAs gradually increase in the order of DYA‐O, DYA‐IO, and DYA‐I, which, in turn, enhance the PCE and device stability of the resulting OSCs; DYA‐O (PCE = 16.45% and t80% lifetime = 3337 h) < DYA‐IO (PCE = 17.54% and t80% lifetime = 4255 h) < DYA‐I (PCE = 18.83% and t80% lifetime = 5380 h).
Machine Learning Across Metal and Carbon Support for the Screening of Efficient Atomic Catalysts Toward CO2 Reduction
Authors: Sun Mingzi , Huang Bolong 
Published: July 2023

AbstractDeveloping efficient atomic catalysts (ACs) for the CO2 reduction reaction (CO2RR) still requires ultrahigh experimental resources and a long research period due to the complicated reaction mechanisms and abundant active sites. Herein, this work presents the energy‐based first principles machine learning (FPML) method for the first time based on over 15 000 datasets to directly predict the reaction trends of the CO2RR. The unique scaling relationship of the hydrogenation steps is revealed in ACs for the CO2RR, which is correlated with the active sites instead ofelectron transfer numbers. Based on machine learning (ML) predictions, this work reports that the standard electrode potential is affected by the pH values, and proposes a zero‐point calibration strategy to realize more accurate predictions of electrocatalysis reactions to supply meaningful references to experiments. The formation of electroactive regions constructed by mixing active sites is revealed, which confirms the neighboring effects for the activation of active sites. In addition, the prediction of C3 intermediates indicates the potential of multicarbon coupling processes on the carbon active sites of graphdiyne. This work supplies an effective method to predict chemical reaction trends of different ACs in the CO2RR by ML, which is expected to accelerate the rational design of novel ACs for broad electrocatalysis.
Come together over me: Cells that form the dermatocranium and chondrocranium in mice
Authors: Pitirri M. Kathleen , Richtsmeier Joan T. , Kawasaki Mizuho , Coupe Abigail P. , Perrine Susan Motch , Kawasaki Kazuhiko 
Published: July 2023

AbstractMost bone develops either by intramembranous ossification where bone forms within a soft connective tissue, or by endochondral ossification by way of a cartilage anlagen or model. Bones of the skull can form endochondrally or intramembranously or represent a combination of the two types of ossification. Contrary to the classical definition of intramembranous ossification, we have previously described a tight temporo‐spatial relationship between cranial cartilages and dermal bone formation and proposed a mechanistic relationship between chondrocranial cartilage and dermal bone. Here, we further investigate this relationship through an analysis of how cells organize to form cranial cartilages and dermal bone. Using Wnt1‐Cre2 and Mesp1‐Cre transgenic mice, we determine the derivation of cells that comprise cranial cartilages from either cranial neural crest (CNC) or paraxial mesoderm (PM). We confirm a previously determined CNC‐PM boundary that runs through the hypophyseal fenestra in the cartilaginous braincase floor and identify four additional CNC‐PM boundaries in the chondrocranial lateral wall, including a boundary that runs along the basal and apical ends of the hypochiasmatic cartilage. Based on the knowledge that as osteoblasts differentiate from CNC‐ and PM‐derived mesenchyme, the differentiating cells express the transcription factor genes RUNX2 and osterix (OSX), we created a new transgenic mouse line called R2Tom. R2Tom mice carry a tdTomato reporter gene joined with an evolutionarily well‐conserved enhancer sequence of RUNX2. R2Tom mice crossed with Osx‐GFP mice yield R2Tom;Osx‐GFP double transgenic mice in which various stages of osteoblasts and their precursors are detected with different fluorescent reporters. We use the R2Tom;Osx‐GFP mice, new data on the cell derivation of cranial cartilages, histology, immunohistochemistry, and detailed morphological observations combined with data from other investigators to summarize the differentiation of cranial mesenchyme as it forms condensations that become chondrocranial cartilages and associated dermal bones of the lateral cranial wall. These data advance our previous findings of a tendency of cranial cartilage and dermal bone development to vary jointly in a coordinated manner, promoting a role for cranial cartilages in intramembranous bone formation.
Pseudo‐mutual gazing enhances interbrain synchrony during remote joint attention tasking
Authors: Chuang Chun‐Hsiang , Hsu Hao‐Che 
Published: July 2023

AbstractIntroductionMutual gaze enables people to share attention and increase engagement during social interactions through intentional and implicit messages. Although previous studies have explored gaze behaviors and neural mechanisms underlying in‐person eye contact, the growing prevalence of remote communication has raised questions about how to establish mutual gaze remotely and how the brains of interacting individuals synchronize.MethodsTo address these questions, we conducted a study using eye trackers to create a pseudo‐mutual gaze channel that mirrors the gazes of each interacting dyad on their respective remote screens. To demonstrate fluctuations in coupling across brains, we incorporated electroencephalographic hyperscanning techniques to simultaneously record the brain activity of interacting dyads engaged in a joint attention task in player‐observer, collaborative, and competitive modes.ResultsOur results indicated that mutual gaze could improve the efficiency of joint attention activities among remote partners. Moreover, by employing the phase locking value, we could estimate interbrain synchrony (IBS) and observe low‐frequency couplings in the frontal and temporal regions that varied based on the interaction mode. While dyadic gender composition significantly affected gaze patterns, it did not impact the IBS.ConclusionThese results provide insight into the neurological mechanisms underlying remote interaction through the pseudo‐mutual gaze channel and have significant implications for developing effective online communication environments.
Body composition is associated with disease aetiology and prognosis in patients undergoing resection of intrahepatic cholangiocarcinoma
Authors: Lurje Isabella , Uluk Deniz , Pavicevic Sandra , Phan Minh Duc , Eurich Dennis , Fehrenbach Uli , Geisel Dominik , Auer Timo Alexander , Pelzer Uwe , Modest Dominik Paul , Raschzok Nathanael , Sauer Igor Maximilian , Schöning Wenzel , Tacke Frank , Pratschke Johann , Lurje Georg 
Published: July 2023

AbstractBackgroundBody composition alterations are frequent in patients with cancer or chronic liver disease, but their prognostic value remains unclear in many cancer entities.ObjectiveWe investigated the impact of disease aetiology and body composition after surgery for intrahepatic cholangiocarcinoma (iCCA), a rare and understudied cancer entity in European and North American cohorts.MethodsComputer tomography‐based assessment of body composition at the level of the third lumbar vertebra was performed in 173 patients undergoing curative‐intent liver resection for iCCA at the Department of Surgery, Charité – Universitätsmedizin Berlin. Muscle mass and ‐composition as well as subcutaneous and visceral adipose tissue quantity were determined semi‐automatically. (Secondary) sarcopenia, sarcopenic obesity, myosteatosis, visceral and subcutaneous obesity were correlated to clinicopathological data.ResultsSarcopenia was associated with post‐operative morbidity (intraoperative transfusions [p = 0.027], Clavien–Dindo ≥ IIIb complications [p = 0.030], post‐operative comprehensive complication index, CCI [p < 0.001]). Inferior overall survival was noted in patients with myosteatosis (33 vs. 23 months, p = 0.020).Fifty‐eight patients (34%) had metabolic (dysfunction)‐associated fatty liver disease (MAFLD) and had a significantly higher incidence of sarcopenic (p = 0.006), visceral (p < 0.001) and subcutaneous obesity (p < 0.001). Patients with MAFLD had longer time‐to‐recurrence (median: 38 vs. 12 months, p = 0.025, log‐rank test). Multivariable cox regression analysis confirmed only clinical, and not body, composition parameters (age > 65, fresh frozen plasma transfusions) as independently prognostic for overall survival.ConclusionThis study evidenced a high prevalence of MAFLD in iCCA, suggesting its potential contribution to disease aetiology. Alterations of muscle mass and adipose tissue were more frequent in patients with MAFLD.
Stochastic Nucleation for Feedback‐Controlled Cooling Crystallization without Seeding
Authors: Sugita Kazuta , Unno Joi , Hirasawa Izumi 
Published: July 2023

AbstractThe dispersion of batch time, i.e., the time for finalizing batch crystallization satisfying batch end conditions, in internally seeded cooling crystallization with direct nucleation control (DNC) was estimated by computer simulation. The batch time is considered to disperse at such crystallization due to stochastic nucleation. In this study, first, a population balance equation was digitized for numerical calculation, and the simulation was developed in MATLAB. Then, repetitive simulations of internally seeded cooling crystallization considering stochastic nucleation with DNC were performed. Finally, the batch time of each simulation was arranged. As a result, it was found that there is little batch time dispersion in crystallization controlled by DNC and without adding seed.
Spontaneous Decoration of Ultrasmall Pt Nanoparticles on Size‐Separated MoS2 Nanosheets
Authors: Lobo Kenneth , Gangaiah Vijaya Kumar , Alex Chandraraj , John Neena S. , Ramakrishna Matte H. S. S. 
Published: July 2023

AbstractLiquid exfoliation can be considered as a viable approach for the scalable production of 2D materials due to its various benefits, although the polydispersity in the obtained nanosheet size hinders their straightforward incorporation. Size‐separation can help alleviate these concerns, however a correlation between nanosheet size and property needs to be established to bring about size‐specific applicability. Herein, size‐selected aqueous nanosheet dispersions have been obtained via centrifugation‐based protocols, and their chemical activity in the spontaneous reduction of chloroplatinic acid is investigated. Growth of ultrasmall Pt nanoparticles was achieved on nanosheet surfaces without a need for reducing agents, and stark differences in the nanoparticle coverage were observed as a function of nanosheet size. Defects in the nanosheets were probed via Raman spectroscopy, and correlated to the observed size‐activity. Additionally, the effect of reaction temperature during synthesis was investigated. The electrochemical activity of the ultrasmall Pt nanoparticle decorated MoS2 nanosheets was evaluated for the hydrogen evolution reaction, and enhancement in performance was observed with nanosheet size, and nanoparticle decoration density. These findings shine light on the significance of nanosheet size in controlling spontaneous reduction reactions, and provide a deeper insight to intrinsic properties of liquid exfoliated nanosheets.
Alkyl Chains Modulated Magnetization Dynamics of Mononuclear Trigonal Prismatic CoII Complexes
Authors: Wang Mengmeng , Han Zongsu , Gou Xiaoshuang , Shi Wei , Zhang Yi‐Quan , Cheng Peng 
Published: July 2023

AbstractFour benzeneboron‐capped mononuclear CoII complexes with different alkyl substitutions on the fourth position of phenylboronic acid were obtained. The CoII ions are all wrapped by the pocket‐like ligands and located in trigonal prismatic coordination geometries. Alternating‐current magnetic susceptibility measurements reveal that they show different magnetization dynamics, such as distinct relaxation rates at the same temperature, the faster QTM rates for the ethyl and propyl substituted complexes, as well as different relaxation processes. Magneto‐structural correlation study reveals that the various deviations of coordination geometry of CoII ion, diverse crystal packings and possible different vibration modes of substituents caused by modifying alkyl chains are the key factors affecting the magnetization dynamics. This work demonstrates that the alkyl chains even locating far away from the metal center can have a large impact on the magnetic behavior of the CoII complex with a very rigid coordination geometry, offering a new perspective towards transition metal based single‐molecule magnets.
Emissive Click Cages
Authors: Maji Suman , Samanta Jayanta , Samanta Krishanu , Natarajan Ramalingam 
Published: July 2023

AbstractThis study reports the synthesis of cofacial organic cage molecules containing aggregation‐induced emissive (AIE) luminogens (AIEgens) through four‐fold Cu(I)‐catalyzed azide–alkyne cycloaddition (CuAAC) “click” reactions. The shorter AIEgen, tetraphenylethylene (TPE), afforded two orientational isomers (TPE‐CC‐1A and TPE‐CC‐1B). The longer AIEgen, tetrabiphenylethylene (TBPE), afforded a single isomer (TBPE‐CC‐2). The click reaction employed is irreversible, yet it yielded remarkable four‐fold click products above 40 %. The phenyl rings around the ethylene core generate propeller‐shaped chirality owing to their orientation, which influences the chirality of the resulting cages. The shorter cages are a mixture of PP/MM isomers, while the longer ones are a mixture of PM/MP isomers, as evidenced by their x‐ray structures. The newly synthesized cage molecules are emissive even in dilute solutions (THF) and exhibit enhanced AIE upon the addition of water. The aggregated cage molecules in aqueous solution exhibit turn‐off emission sensing of nitroaromatic explosives, with selectivity to picric acid in the 25–38 nanomolar detection range.
Non‐Covalent Supramolecular 1D Alternating Copolymer in Crystal toward 2D Anisotropic Photon Transport
Authors: Nakabayashi Mahiro , Matsuo Takumi , Hayashi Shotaro 
Published: July 2023

AbstractTo realize organic integrated optoelectronic circuits, there is a need for anisotropic optical waveguides at the micro/nanoscale. Anisotropic alignment of one‐dimensional‐ordered supramolecular structures composed of light‐emissive π‐conjugated molecules in a crystal may meet the requirements of such waveguides. Here, a bipyridyl‐appended acrylonitrile‐based π‐conjugated molecule was designed, which produced a one‐dimensional supramolecular polymer constructed through non‐covalent bonding between a lone pair in bipyridyl and a σ‐hole in 1,4‐diiodo‐2,3,5,6‐tetrafluorobenzene. The one‐dimensional copolymer of bipyridyl and 1,4‐diiodo‐2,3,5,6‐tetrafluorobenzene is aligned horizontally with the two‐dimensional crystal surface because of the angle‐controlled supramolecular synthons. As a result of control over the non‐covalent bonding direction, anisotropic photoluminescence and photon transport (optical waveguiding) characteristics are realized by orienting the transition dipole moment horizontally with respect to the two‐dimensional surface. Compared with the loss coefficient αL=52 dB cm−1 for the long‐axis direction of the two‐dimensional platelet cocrystal, a very large difference of αS=2111 dB cm−1 is present in the crystal short‐axis direction. The anisotropic waveguiding ability, αL/αS, is estimated to be 41, which is more than an order of magnitude greater than previously reported two‐dimensional platelet crystal waveguides. This supramolecular synthon provides an approach to designing anisotropic photon transporters and highly regulated optical logic circuits.
Isonitrile‐Proline ‐ A Versatile Handle for the Chemoselective Derivatization of Collagen Peptides
Authors: Antoniazzi Giuseppe , Schäfer Rebecca J. B. , Biedermann Maurice , Rüttimann Eric , Wennemers Helma 
Published: July 2023

AbstractFunctional groups that allow for chemoselective and bioorthogonal derivatization are valuable tools for the labelling of peptides and proteins. The isonitrile is such a group but synthetic methods for its incorporation into peptides by solid‐phase peptide synthesis are not known. Here, we introduce (4S)‐ and (4R)‐isonitrileproline (Inp) as building blocks for solid‐phase peptide synthesis. Conformational studies of (4S)‐ and (4R)‐Inp and thermal stability analysis of Inp‐containing collagen triple helices revealed that the isonitrile group exerts a stereoelectronic gauche effect. We showcase the value of Inp for bioorthogonal labelling by derivatization of Inp‐containing collagen model peptides (CMPs). Dual labelling with a pair of bioorthogonal reactions of a CMP containing Inp and azidoproline residues further highlights the versatility of the new isonitrile‐containing amino acids.
Tailoring the Surface of Aluminum‐Enriched Diatom Biosilica
Authors: Köhler Lydia , Kaskel Stefan , Brunner Eike 
Published: July 2023

AbstractAluminosilicates are widely used as sorbent materials, ion exchangers, and catalysts. While they are often synthesized by hydrothermal methods, microorganisms may open “green” synthesis ways. Diatoms can incorporate aluminum into their micro‐ and nanostructured silica‐based cell walls. Thus, diatoms create intricately structured aluminosilicate materials. The present study investigates not only possible morphological changes during the in vivo Al‐enrichment of the diatom species Thalassiosira pseudonana, but also the increase of the specific surface area of Al‐enriched biosilica in vitro by etching with alkaline solutions.
Synergetic and anomalous effect of CNTs in the sulphide‐based binary composite for an extraordinary and asymmetric supercapacitor device
Authors: Rehman Asad Ur , Afzal Amir Muhammad , Iqbal Muhammad Waqas , Ali Muhammad , Mohammad Wabaidur Saikh , Al‐Ammar Essam A. , Imran Muhammad , Mumtaz Sohail , Ha Choi Eun , Muzaffar Nimra 
Published: July 2023

AbstractCarbon nanotubes (CNTs) have attained great interest from researchers due to their excellent electrical conductivity, vast surface area, and good chemical stability. In this work, the sulphide‐based composite Ag2S@ZnS was synthesized using the hydrothermal method and was doped with CNTs in various weight percentage ratios. The structural and morphological characteristics of the samples were evaluated by employing X‐ray diffractometry (XRD), X‐ray photo spectroscopy (XPS), scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET) analysis, and thermogravimetric analysis (TGA), while cyclic voltammetry (CV) and galvanostatic charge/discharge (GCD) were also executed for their electrochemical characterization. The performance of the Ag2S@ZnS electrode was enhanced after the doping of CNTs because of their synergistic effect. An extraordinary specific capacity (Qs) of 946.5 Cg−1 (262.91 mAh g−1) was exhibited by Ag2S@ZnS with 50% CNTs doping (Ag2S@ZnS/CNT‐50%), which is significantly greater than the reference samples. Furthermore, an asymmetric supercapacitor was designed and assessed for its electrochemical properties. The specific capacity of the asymmetric supercapacitor reached 148.62 Cg−1 (41.28 mAh g−1). The device showed improved stability and retained the 87% initial capacity after 5000 cycles. The energy and power densities were found to be 33.02 Wh kg−1 at 639.98 W kg−1, respectively, with a high value of coulombic efficiency of 92%. The device succeeded in acquiring a higher power density of 3200 W kg−1 for an energy density of 4 Wh kg−1. These astonishing results provide opportunities to design high‐performance electrode materials for extraordinary energy storage devices.
A novel PID type iterative learning controller optimized by two‐dimensional infinite horizon linear quadratic iterative learning control for batch processes
Authors: Li Haisheng , Bai Jianjun , Zou Hongbo , Wu Feng 
Published: July 2023

AbstractAlthough a proportional integral derivative type iterative learning control (PIDILC) scheme can achieve good performance, its application is limited by open‐loop structure, parameter tuning, and initial state. In this paper, a novel PIDILC optimized by two‐dimensional infinite horizon linear quadratic regulator (PIDILC‐2D‐IHLQR) is proposed. First, by synthesizing the advantage of the conventional PIDILC method and proportional integral derivative (PID) strategy, a novel closed‐loop PIDILC scheme is obtained. Then, a novel two‐dimensional infinite horizon linear quadratic regulator (2D‐IHLQR) is developed to optimize the parameters of the PIDILC strategy. The limitations of parameter tuning and initial state are solved by this PIDILC‐2D‐IHLQR method. Therefore, the proposed method not only solves the aforementioned limitations but also inherits the advantages of PIDILC algorithm, PID method, and the novel 2D‐IHLQR scheme. Moreover, a stability condition is given based on Lyapunov theory and it can help judge whether the selection of control parameters meets the stability condition. The effectiveness of the proposed method is demonstrated by the case study on an injection modelling process.