bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vascular Cast to Program Antistenotic Hemodynamics and Remodeling of Vein Graft
Authors: Ha Hyunsu , Park Ju Young , Lee Chan Hee , Son Deok‐Hyeon , Chung Soon Won , Baek Sewoom , Lee Kyubae , Lee Kang Suk , Yi Se Won , Kang Mi‐Lan , Kim Dae‐Hyun , Sung Hak‐Joon 
Published: February 2023

AbstractThe structural stability of medical devices is established by managing stress distribution in response to organ movement. Veins abruptly dilate upon arterial grafting due to the mismatched tissue property, resulting in flow disturbances and consequently stenosis. Vascular cast is designed to wrap the vein‐artery grafts, thereby adjusting the diameter and property mismatches by relying on the elastic fixity. Here, a small bridge connection in the cast structure serves as an essential element to prevent stress concentrations due to the improved elastic fixity. Consequently, the vein dilation is efficiently suppressed, healthy (laminar and helical) flow is induced effectively, and the heathy functions of vein grafting are promoted, as indicated by the flow directional alignment of endothelial cells with arterialization, muscle expansion, and improved contractility. Finally, collaborative effects of the bridge drastically suppress stenosis with patency improvement. As a key technical point, the advantages of the bridge addition are validated via the computational modeling of fluid–structure interaction, followed by a customized ex vivo set‐up and analyses. The calculated effects are verified using a series of cell, rat, and canine models towards translation. The bridge acted like “Little Dutch boy” who saved the big mass using one finger by supporting the cast function.
Engineered Sensory Nerve Guides Self‐Adaptive Bone Healing via NGF‐TrkA Signaling Pathway
Authors: Zhang Zengjie , Wang Fangqian , Huang Xin , Sun Hangxiang , Xu Jianxiang , Qu Hao , Yan Xiaobo , Shi Wei , Teng Wangsiyuan , Jin Xiaoqiang , Shao Zhenxuan , Zhang Yongxing , Zhao Shenzhi , Wu Yan , Ye Zhaoming , Yu Xiaohua 
Published: February 2023

AbstractThe upstream role of sensory innervation during bone homeostasis is widely underestimated in bone repairing strategies. Herein, a neuromodulation approach is proposed to orchestrate bone defect healing by constructing engineered sensory nerves (eSN) in situ to leverage the adaptation feature of SN during tissue formation. NGF liberated from ECM‐constructed eSN effectively promotes sensory neuron differentiation and enhances CGRP secretion, which lead to improved RAOECs mobility and osteogenic differentiation of BMSC. In turn, such eSN effectively drives ossification in vivo via NGF‐TrkA signaling pathway, which substantially accelerates critical size bone defect healing. More importantly, eSN also adaptively suppresses excessive bone formation and promotes bone remodeling by activating osteoclasts via CGRP‐dependent mechanism when combined with BMP‐2 delivery, which ingeniously alleviates side effects of BMP‐2. In sum, this eSN approach offers a valuable avenue to harness the adaptive role of neural system to optimize bone homeostasis under various clinical scenario.
In vitro digestion and fermentation of Japanese macaque (Macaca fuscata) food: The influence of food type and particle size
Authors: He Tianmeng , Lee Wanyi , Hanya Goro 
Published: February 2023

AbstractChewing is critical for herbivores to obtain nutrients. Measuring digesta particle size as the outcome of chewing can improve our understanding of the relationship between food and digestion. Previous studies of feeds of domestic animals have shown that smaller digesta particle size leads to more efficient digestion. Increased digesta particle size—either due to animal factors (e.g., a senile dentition) or to feed factors (e.g., fracture resistance) could be a sign of an animal experiencing compromised nutritional intake. However, for some primates that are dietary generalists, digesta particle size has been shown to increase when consuming preferred foods, which raises doubts about the role of chewing in digesting such foods. This uncertainty makes it difficult to understand the connection between diet, chewing, and digestion through digesta particle size in dietary generalists. In this study, using five typical food items from the Japanese macaque (Macaca fuscata) diet, we conducted in vitro digestibility and fermentation assays to explore the effects of particle size on enzymatic and microbial digestion. For the fermentation assays, we used feces from captive Japanese macaques as inoculum. Among the five food items, we found that particle size has a stronger influence on the digestibility of seeds and mature leaves compared to young leaves and pulp. The influence of particle size on the fermentation rate was stronger in pulp and seeds compared to that in leaves. The differences in physical structure, texture, digestion barriers, and soluble components may play important roles in such differences. These results support the hypothesis that reducing food particle size is less important for consuming fruits than for consuming leaves. The limited effects of particle size on digesting fruits suggest that the two fruits examined in this study are cost‐effective concerning food processing and chewing.
Synthesis of Bioctacene‐Incorporated Nanographene with Near‐Infrared Chiroptical Properties
Authors: Xu Xiushang , Muñoz‐Mármol Rafael , Vasylevskyi Serhii , Villa Andrea , Folpini Giulia , Scotognella Francesco , Maria Paternò Giuseppe , Narita Akimitsu 
Published: February 2023

AbstractWe report the synthesis of a hexabenzoperihexacene (HBPH) with two incorporated octacene substructures, which was unambiguously characterized by single‐crystal X‐ray analysis. The theoretical isomerization barrier of the (P,P)‐/(P,M)‐forms was estimated to be 38.4 kcal mol−1, and resolution was achieved by chiral HPLC. Notably, the enantiomers exhibited opposite circular dichroism responses up to the near‐infrared (NIR) region (830 nm) with a high gabs value of 0.017 at 616 nm. Moreover, HBPH demonstrated NIR emission with a maximum at 798 nm and an absolute PLQY of 41 %. The excited‐state photophysical properties of HBPH were investigated by ultrafast transient absorption spectroscopy, revealing an intriguing feature that was attributed to the rotational and/or conformational dynamics of HBPH after excitation. These results provide new insight into the design of chiral nanographene with NIR optical properties for potential chiroptical applications.
Supramolekulare Kapselkatalyse ermöglicht die Erforschung des von der Natur unerschlossenen chemischen Raums der Terpenoide
Authors: Némethová Ivana , Schmid Dario , Tiefenbacher Konrad 
Published: February 2023

AbstractTerpene stellen die größte und vielfältigste Klasse von Naturstoffen dar. Dies ist bemerkenswert, da die gesamte Vielfalt aus nur einer Handvoll hoch konservierter linearer Vorstufen zugänglich ist. Eine Modifizierung der Zyklisierungsvorstufen würde eine dramatische Erweiterung des zugänglichen chemischen Raums ermöglichen. Natürliche Enzyme ermöglichen es uns jedoch nicht, dieses Potenzial zu nutzen, da sie keine größeren Abweichungen von der prototypischen Substratstruktur tolerieren. Hier berichten wir, dass die supramolekulare Kapselkatalyse einen einfachen Zugang zu verschiedenen und neuartigen Terpenoidgerüsten ermöglicht, die formal auf C3‐Phenyl‐, Benzyl‐ und Homoprenylderivate von Farnesol zurückgeführt werden können. Neuartige Gerüste, die mit der Presilphiperfolan‐Kernstruktur verwandt sind, sowie neuartige Neoclovenderivate wurden in nur vier Syntheseschritten effizient zugänglich gemacht. Wichtig ist, dass die erhaltenen Produkte funktionelle Gruppen tragen, die leicht weiter derivatisiert werden können. Die erzielten Ergebnisse zeigen das Potenzial der supramolekularen Katalyse für die Erschließung des riesigen chemischen Raums der Terpenoide, der von der Natur noch nicht genutzt wurde.
Integrating Computation, Experiment, and Machine Learning in the Design of Peptide‐Based Supramolecular Materials and Systems
Authors: Ramakrishnan Maithreyi , van Teijlingen Alexander , Tuttle Tell , Ulijn R. V. 
Published: February 2023

AbstractInterest in peptide‐based supramolecular materials has grown extensively since the 1980s and the application of computational methods has paralleled this. These methods contribute to the understanding of experimental observations based on interactions and inform the design of new supramolecular systems. They are also used to virtually screen and navigate these very large design spaces. Increasingly, the use of artificial intelligence is employed to screen far more candidates than traditional methods. Based on a brief history of computational and experimentally integrated investigations of peptide structures, we explore recent impactful examples of computationally driven investigation into peptide self‐assembly, focusing on recent advances in methodology development. It is clear that the integration between experiment and computation to understand and design new systems is becoming near seamless in this growing field.
An Amphiphilic Molecule‐Regulated Core‐Shell‐Solvation Electrolyte for Li‐Metal Batteries at Ultra‐Low Temperature
Authors: Shi Junkai , Xu Chao , Lai Jiawei , Li Zhongliang , Zhang Yuping , Liu Yan , Ding Kui , Cai Yue‐Peng , Shang Rui , Zheng Qifeng 
Published: February 2023

AbstractLithium metal batteries hold great promise for promoting energy density and operating at low temperatures, yet they still suffer from insufficient Li compatibility and slow kinetic, especially at ultra‐low temperatures. Herein, we rationally design and synthesize a new amphiphilic solvent, 1,1,2,2‐tetrafluoro‐3‐methoxypropane, for use in battery electrolytes. The lithiophilic segment is readily to solvate Li+to induce self‐assembly of the electrolyte solution to form a peculiar core‐shell‐solvation structure. Such unique solvation structure not only largely improves the ionic conductivity to allow fast Li+transport and lower the desolvation energy to enable facile desolvation, but also leads to the formation of a highly robust and conductive inorganic SEI. The resulting electrolyte demonstrates high Li efficiency and superior cycling stability from room temperature to −40 °C at high current densities. Meanwhile, anode‐free high‐voltage cell retains 87 % capacity after 100 cycles.
Total Biosynthesis of Mutaxanthene Unveils a Flavoprotein Monooxygenase Catalyzing Xanthene Ring Formation
Authors: Xiang Lang , Shi Jing , Zhu Ao , Xu Zi Fei , Liu Shuang He , Wang Yi Shuang , Guo Zhi Kai , Jiao Rui Hua , Tan Ren Xiang , Ge Hui Ming 
Published: February 2023

AbstractFlavoprotein monooxygenases (FPMOs) play important roles in generating structural complexity and diversity in natural products biosynthesized by type II polyketide synthases (PKSs). In this study, we used genome mining to discover novel mutaxanthene analogues and investigated the biosynthesis of these aromatic polyketides and their unusual xanthene framework. We determined the complete biosynthetic pathway of mutaxathene through in vivo gene deletion and in vitro biochemical experiments. We show that a multifunctional FPMO, MtxO4, catalyzes ring rearrangement and generates the required xanthene ring through a multistep transformation. In addition, we successfully obtained all necessary enzymes for in vitro reconstitution and completed the total biosynthesis of mutaxanthene in a stepwise manner. Our results revealed the formation of a rare xanthene ring in type II polyketide biosynthesis, and demonstrate the potential of using total biosynthesis for the discovery of natural products synthesized by type II PKSs.
Tetranuclear CuIICluster as the Ten Node Building Unit for the Construction of a Metal–Organic Framework for Efficient C2H2/CO2Separation
Authors: Xiang Fahui , Zhang Hao , Yang Yisi , Li Lu , Que Zhenni , Chen Liangji , Yuan Zhen , Chen Shimin , Yao Zizhu , Fu Jianwei , Xiang Shengchang , Chen Banglin , Zhang Zhangjing 
Published: February 2023

AbstractRational design of high nuclear copper cluster‐based metal–organic frameworks has not been established yet. Herein, we report a novel MOF (FJU‐112) with the ten‐connected tetranuclear copper cluster [Cu4(PO3)2(μ2‐H2O)2(CO2)4] as the node which was capped by the deprotonated organic ligand of H4L (3,5‐Dicarboxyphenylphosphonic acid). With BPE (1,2‐Bis(4‐pyridyl)ethane) as the pore partitioner, the pore spaces in the structure ofFJU‐112were divided into several smaller cages and smaller windows for efficient gas adsorption and separation.FJU‐112exhibits a high separation performance for the C2H2/CO2separation, which were established by the temperature‐dependent sorption isotherms and further confirmed by the lab‐scale dynamic breakthrough experiments. The grand canonical Monte Carlo simulations (GCMC) studies show that its high C2H2/CO2separation performance is contributed to the strong π‐complexation interactions between the C2H2molecules and framework pore surfaces, leading to its more C2H2uptakes over CO2molecules.
Comparative Characterization of Diverse DNA Aptamers for Recognition of Spike Proteins of Multiple SARS‐CoV‐2 Variants
Authors: Zhang Zijie , Li Jiuxing , Amini Ryan , Mansfield Alexandria , Gu Jimmy , Xia Jianrun , Brennan John D. , Li Yingfu 
Published: February 2023

AbstractMany DNA aptamers have been reported to target the spike protein (S‐protein) of SARS‐CoV‐2. These aptamers display different affinities or recognize different epitopes of the S‐protein. We conducted a comparative study of 9 DNA aptamers for binding to several variants of the S‐protein and pseudoviruses using the same testing methods, including dot‐blot assays and enzyme‐linked aptamer binding assays, to evaluate their affinity ranking and analytical utility. Moreover, the binding sites of these aptamers on the S‐protein were examined using aptamer competition assays to understand the effect of S‐protein mutations on aptamer affinity and the degree of overlapping of the binding sites by these aptamers.
Tropical mesoscale convective system formation environments
Authors: Galarneau Thomas J. , Zeng Xubin , Dixon Ross D. , Ouyed Amir , Su Hui , Cui Wenjun 
Published: February 2023

AbstractMesoscale convective systems (MCSs) in the tropics play an integral role in the water cycle, are associated with local hazardous weather conditions, and have significant remote impacts on the midlatitude jet stream. Although it is known that MCSs occur in relatively moist environments, it is unclear how far in advance favorable ingredients (lift, instability, and moisture) in the mesoscale environment precede MCS formation. In this study, an automated MCS tracking algorithm and global reanalyses are used to examine the pre‐MCS environment for 3295 MCSs that occurred in the tropics in a 3‐month period. Results showed that increased water vapor and mesoscale ascent implied by low‐level convergence and upper‐level divergence preceded MCS formation by up to 24 h. Regional variations in pre‐MCS environment conditions were apparent and are discussed. Future work will study to what extent these moisture and wind anomalies can be used to predict MCS formation.
Structure and stability of differentially rotating compact stellar objects
Authors: Farrell Delaney , Negreiros Rodrigo , Weber Fridolin 
Published: February 2023

AbstractDepending on the dynamics of a binary neutron star merger, the collision may result in a differentially rotating compact object. Differentially rotating stars can sustain a total mass considerably higher than that of a uniformly rotating star, giving rise to “hypermassive” objects like hypermassive neutron stars. These stars are likely to exhibit extreme structural deformation along the radial axis due to their high masses. Both the increased mass and structural deformations supported by differential rotation allow the compact remnant to remain stable in otherwise unstable configurations on short, dynamical timescales. In this work, we numerically simulate differentially rotating neutron stars to explore an increase in mass and structural deformation for three relativistic mean‐field equations of state models. Results are used to predict outcomes for recent gravitational wave observations of binary neutron star mergers.
Seasonality of main childhood embryonal tumours and rhabdomyosarcoma, France, 2000–2015
Authors: Awounou Danielle , Lacour Brigitte , Desandes Emmanuel , Guissou Sandra , Cassoux Nathalie , Doz François , Dufour Christelle , Minard‐Colin Véronique , Schleiermacher Gudrun , Taque Sophie , Verschuur Arnauld , Clavel Jacqueline , Goujon Stéphanie 
Published: February 2023

AbstractFew studies have investigated the seasonal patterns of embryonal tumours. Based on data from the French National Registry of Childhood Cancers, the present study aimed to investigate seasonal variations in embryonal tumour incidence rates by month of birth and by month of diagnosis. The study included 6635 primary embryonal tumour cases diagnosed before the age of 15 years over the period 2000‐2015 in mainland France. Assuming monthly variations in incidence rates were homogeneous over 2000‐2015, we used a Poisson regression model to test for overall heterogeneity in standardised incidence ratios (SIRs) by month of birth or diagnosis. The seasonal scan statistic method was used to detect monthly excesses or deficits of embryonal tumour cases over the whole study period. The annual reproducibility of the observed monthly variations was formally tested. An overall heterogeneity in incidence rates by month of birth was observed for rhabdomyosarcoma in boys only. Based on the month of diagnosis, a seasonality was evidenced for unilateral retinoblastoma, with a lower incidence rate in the summer (SIRJul‐Aug = 0.68, 95% CI = 0.52‐0.87), whilst the incidence rate of rhabdomyosarcoma tended to be lower in August (SIRAug = 0.68, 95% CI = 0.52‐0.89). No seasonality was detected for the other embryonal tumour groups by month of birth or month of diagnosis. This study is one of the largest to have investigated the seasonality of childhood embryonal tumours. The study showed a seasonal variation in the incidence rates by month of diagnosis for unilateral retinoblastoma and rhabdomyosarcoma. Our findings are likely to reflect a delay in consultation during the summer months. However, the role of seasonally varying environmental exposures cannot be ruled out.
Incidence and risk factors for second malignancies among patients with myeloproliferative neoplasms
Authors: Zhang Yuhui , Han Yingdi , Teng Guangshuai , Du Chenxiao , Gao Shan , Yuan Weiping , Zhang Lei , Bai Jie 
Published: February 2023

AbstractObjectiveThe clinical characteristics and survival of patients with myeloproliferative neoplasms (MPNs) with secondary cancer were analyzed to explore the possible risk factors for secondary cancer in MPN patients.MethodsThe clinical characteristics of 1060 Chinese patients with MPN were retrospectively analyzed. The Kaplan–Meier method was used to analyze the survival. The Cox multivariate regression model was used to analyze the risk factors for developing secondary cancer in patients with MPNs.ResultsThe 1060 patients with MPN had a median follow‐up of 10 years (range 1–50) and a median age of 55 years (range 21–86), and 497 (45.2%) were male. The proportion of PV, ET, and PMF was 52.2%, 33.5%, and 14.3%, respectively. About 28.1% (298/1060) of 1060 MPN patients died. The median survival times of the PV, ET, and PMF groups were 20, 24, and 12 years, respectively (p < 0.0001). In age‐ and sex‐matched healthy Chinese patients, the standardized incidence ratio (SIR) value of developing secondary cancer in MPN patients was 6.41 (95% CI: 4.90–9.48). The median survival time was 14 years in the MPN with secondary cancer group. The Cox multivariate analysis showed that age ≥ 65 years (p < 0.0001, HR = 5.027, 95% CI [2.823, 8.952]), MF‐1 (p = 0.001, HR = 2.887, 95% CI [1.503, 5.545]) were risk factors for developing secondary cancer.ConclusionsThe survival of MPN patients with secondary cancer was significantly worse than that of patients without secondary cancer. Compared with normal subjects, MPN patients had a 6.41‐fold increased risk of developing secondary cancer, and age ≥ 65 years and MF‐1 were risk factors for developing secondary cancer in MPN patients.
Thermally Activated vs. Photochemical Hydrogen Evolution Reactions–A Tale of Three Metals
Authors: Ončák Milan , Siu Chi‐Kit , van der Linde Christian , Kit Tang Wai , Beyer Martin K. 
Published: February 2023

AbstractMolecular processes behind hydrogen evolution reactions can be quite complex. In macroscopic electrochemical cells, it is extremely difficult to elucidate and understand their mechanism. Gas phase models, consisting of a metal ion and a small number of water molecules, provide unique opportunities to understand the reaction pathways in great detail. Hydrogen evolution in clusters consisting of a singly charged metal ion and one to on the order of 50 water molecules has been studied extensively for magnesium, aluminum and vanadium. Such clusters with around 10–20 water molecules are known to eliminate atomic or molecular hydrogen upon mild activation by room temperature black‐body radiation. Irradiation with ultraviolet light, by contrast, enables hydrogen evolution already with a single water molecule. Here, we analyze and compare the reaction mechanisms for hydrogen evolution on the ground state as well as excited state potential energy surfaces. Five distinct mechanisms for evolution of atomic or molecular hydrogen are identified and characterized.
Establishment of alfalfa interseeded into corn in response to one cycle of selection and hybridization
Authors: Grabber John H. , Riday Heathcliffe , Enjalbert Nicolas , Wagner Steven , Mickelson David 
Published: February 2023

AbstractIntercropping alfalfa (Medicago sativa L.) in corn (Zea mays L.) can improve forage production, but wet growing conditions and high corn yields adversely impact alfalfa establishment. Therefore, we evaluated breeding alfalfa specifically for intercropping by selecting surviving plants from previous alfalfa varietal evaluations under corn and assigning them to five polycrosses to form cycle‐1 synthetics. Pollen from four polycrosses was also used to generate hybrid seed using a male‐sterility system. Corn was planted in May, intensively managed, and harvested for silage during September at Arlington and Prairie du Sac Wisconsin during 2019. Parental, polycross, and hybrid alfalfa entries were interseeded as swards between corn rows. Two subplots within each whole plot were treated with prohexadione, fungicide, and insecticide (PFI) or left as nontreated controls. Competition from high yielding corn combined with 43% above average precipitation during the growing season contributed to complete stand failure of nontreated alfalfa. Application of PFI improved foliar health, increased root mass, and enabled alfalfa establishment. Following corn silage harvest average stand density of PFI‐treated polycross entries was 35% greater than parental entries (105 vs. 78 plants m−2); broad‐sense heritability was 0.54. Overall, PFI‐treated polycross and hybrid entries had similar stand densities after corn, but posthoc comparisons indicated two hybrids had twofold greater stand density than parental entries. These results indicate plant selection can be highly effective for developing polycross and hybrid germplasm with improved survival under corn. Our findings should stimulate further breeding work to improve alfalfa and other forages for use in intercropping systems.