bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid Surface Reconstruction of Pentlandite by High‐Spin State Iron for Efficient Oxygen Evolution Reaction
Authors: Du Zhengyan , Meng Zeshuo , Gong Xiliang , Hao Zeyu , Li Xin , Sun Haoteng , Hu Xiaoying , Yu Shansheng , Tian Hongwei 
Published: December 2023

AbstractTriggering rapid reconstruction reactions holds the potential to approach the theoretical limits of the oxygen evolution reaction (OER), and spin state manipulation has shown great promise in this regard. In this study, the transition of Fe spin states from low to high was successfully achieved by adjusting the surface electronic structure of pentlandite. In situ characterization and kinetic simulations confirmed that the high‐spin state of Fe promoted the accumulation of OH− on the surface and accelerated electron transfer, thereby enhancing the kinetics of the reconstruction reaction. Furthermore, theoretical calculations revealed that the lower d‐band center of high‐spin Fe optimized the adsorption of active intermediates, thereby enhancing the reconstruction kinetics. Remarkably, pentlandites with high‐spin Fe exhibited ultra‐low overpotential (245 mV @ 10 mA cm−2) and excellent stability. These findings provided new insights for the design and fabrication of highly active OER electrocatalysts.
Ultrastarke Elektron‐Phonon‐Kopplung in Uran‐organischen Gerüstverbindungen führt zu einer inversen Temperaturabhängigkeit der Lumineszenz
Authors: Chen Dong‐Hui , Vankova Nina , Jha Gautam , Yu Xiaojuan , Wang Yuemin , Lin Ling , Kirschhöfer Frank , Greifenstein Raphael , Redel Engelbert , Heine Thomas , Wöll Christof 
Published: December 2023

AbstractElektron‐Phonon‐Wechselwirkungen, die in kondensierter Materie von entscheidender Bedeutung sind, werden in metallorganischen Gerüstverbindungen (MOFs) selten beobachtet. In Lanthanoid‐ oder Actinoid‐basierten Verbindungen gelingt der Nachweis dieser Wechselwirkungen typischerweise über die Analyse der Lumineszenz. Frühere Studien zu Ln‐ und Ac‐basierten MOFs bei hohen Temperaturen ergaben zusätzliche Lumineszenzsignale, die jedoch zu schwach für eine gründliche Analyse waren. Im Rahmen unserer Untersuchungen haben wir mithilfe eines Schicht‐für‐Schicht‐Verfahrens eine hochgeordnete, kristalline uranbasierte MOF‐Dünnschicht (KIT‐U‐1) hergestellt. Unter UV‐Licht zeigte diese Schicht zwei ausgeprägte „heiße Banden“, die auf eine starke Elektron‐Phonon‐Wechselwirkung hinweisen. Während bei 77 K keine Emissionsbanden sichtbar waren, erschien bei 300 K eine Emissionsbande mit der halben Intensität der Hauptbande. Überraschenderweise tauchte oberhalb von 320 K eine zweite, sogenannte heiße Bande auf, die von früheren Ergebnissen aus Seltenerd‐Verbindungen abweicht. Wir haben eine detaillierte ab initio‐Analyse mithilfe der zeitabhängigen Dichtefunktionaltheorie durchgeführt, um dieses ungewöhnliche Verhalten zu verstehen und die für die starke Elektron‐Phonon‐Kopplung verantwortliche Gitterschwingung zu identifizieren. Die heißen Emissionsbanden der KIT‐U‐1‐Schicht wurden dann dazu genutzt, ein hochempfindliches optisches Einkomponenten‐Thermometer zu entwickeln. Diese Ergebnisse belegen das Potenzial hochwertiger MOF‐Dünnschichten bei der Nutzung der einzigartigen Lumineszenz von Lanthanoiden und Actinoiden für neuartige Anwendungen.
Differentiation grade as a risk factor for lymph node metastasis in T1 colorectal cancer
Authors: Shiina Osamu , Kudo Shin‐ei , Ichimasa Katsuro , Takashina Yuki , Kouyama Yuta , Mochizuki Kenichi , Morita Yuriko , Kuroki Takanori , Kato Shun , Nakamura Hiroki , Matsudaira Shingo , Misawa Masashi , Ogata Noriyuki , Hayashi Takemasa , Wakamura Kunihiko , Sawada Naruhiko , Baba Toshiyuki , Nemoto Tetsuo , Ishida Fumio , Miyachi Hideyuki 
Published: December 2023

AbstractObjectivesJapanese guidelines include high‐grade (poorly differentiated) tumors as a risk factor for lymph node metastasis (LNM) in T1 colorectal cancer (CRC). However, whether the grading is based on the least or most predominant component when the lesion consists of two or more levels of differentiation varies among institutions. This study aimed to investigate which method is optimal for assessing the risk of LNM in T1 CRC.MethodsWe retrospectively evaluated 971 consecutive patients with T1 CRC who underwent initial or additional surgical resection from 2001 to 2021 at our institution. Tumor grading was divided into low‐grade (well‐ to moderately differentiated) and high‐grade based on the least or predominant differentiation analyses. We investigated the correlations between LNM and these two grading analyses.ResultsLNM was present in 9.8% of patients. High‐grade tumors, as determined by least differentiation analysis, accounted for 17.0%, compared to 0.8% identified by predominant differentiation analysis. A significant association with LNM was noted for the least differentiation method (p < 0.05), while no such association was found for predominant differentiation (p = 0.18). In multivariate logistic regression, grading based on least differentiation was an independent predictor of LNM (p = 0.04, odds ratio 1.68, 95% confidence interval 1.00–2.83). Sensitivity and specificity for detecting LNM were 27.4% and 84.1% for least differentiation, and 2.1% and 99.3% for predominant differentiation, respectively.ConclusionsTumor grading via least differentiation analysis proved to be a more reliable measure for assessing LNM risk in T1 CRC compared to grading by predominant differentiation.
The feasibility study of the production of Bitcoin with geothermal energy: Case study
Authors: Ehyaei M. A. , Esmaeilion F. , Shamoushaki Moein , Afshari H. , Das Biplab 
Published: December 2023

AbstractIn this paper, a multigeneration cycle of electricity, cooling, and Bitcoin whose energy source is geothermal, has been subjected to energy, exergy, and economic analyses. The cycle under consideration includes the steam cycle (upstream cycle), the carbon dioxide cycle (downstream cycle), and the liquid–gas line to absorb the heat dissipated by the carbon dioxide cycle. In this cycle, the steam cycle condenser acts as the carbon dioxide cycle evaporator. Part of the electricity generated by this cycle is used to generate Bitcoins. Energy and exergy efficiencies at baseline (excluding Bitcoin production) are 45.8% and 38.1%, respectively. In this cycle, if more power is spent on producing Bitcoin as a product, the energy and exergy efficiencies of the cycle are reduced. Because Bitcoin itself is not valuable in terms of energy and exergy. Considering the average price of Bitcoin during the years 2015–2022 and if 100% of the electricity generated by the system is spent on Bitcoin production, the payback period in 2018, 2021, and 2022 when the price of Bitcoin is equal to $13,412.4, $21,398.8, and $47,743.0, respectively, are less than the baseline. Therefore, the production of Bitcoin with a variety of renewable energies can be considered as a solution. Of course, it should be noted that large changes in the price of Bitcoin can affect the issue of economic benefit.
Serum C‐reactive protein greater than 75 mg/dL as an early available laboratory predictor of severe COVID‐19: A systematic review
Authors: Nazemi Pershang , SeyedAlinaghi SeyedAhmad , Azarnoush Ayein , Mabadi Avin , Khaneshan Arezoo Salami , Salehi Mohammadreza 
Published: December 2023

AbstractIntroductionSevere COVID‐19 management is still challenging. Having a laboratory factor to predict the severity of a patient's condition can be very useful in how to approach each patient. There have been studies concentrating on the correlation between serum C‐reactive protein (CRP) level and COVID‐19 severity but we aim to reach a threshold for CRP in disease severity determination.MethodsWe conducted a thorough search on PubMed, Web of Science and Google Scholar databases from early 2019 to October 2021, and 323 studies were assessed for eligibility in three phases. We used the Newcastle‐Ottawa Scale to examine the validity of the studies. The t‐test was applied for the CRP level cutoffs.ResultsEventually, 11 articles and 1615 patients were included in this systematic review. Our analysis evaluated combined mean, median, and standard deviation of severe patients' CRP to be respectively 73.37, 53.80, and 47.936. Based on the combined mean, 75 mg/dL was suggested as an initial threshold for baseline CRP in hospitalized patients for developing severe conditions.ConclusionThis study recommends that COVID‐19 patients with on‐admission serum CRP levels of 75 mg/dL and more are likely associated with severe conditions. Thus, anti‐inflammatory agents and further following may be helpful in these patients.
Fecal miR‐223 is a noninvasive biomarker for estimating Crohn's disease activity
Authors: Zhang Juanjuan , Guo Zhen , Wang Zhiming , Zhu Weiming , Li Qiurong 
Published: December 2023

AbstractIntroductionMicroRNA‐223 (miR‐223) has emerged as a promising noninvasive biomarker for Crohn's disease (CD). However, it is unclear which tissue derived miRNA‐223 can more accurately estimate CD disease activity.Materials and MethodsTo collect serum, terminal ileal mucosa biopsy and fecal samples from CD patients and healthy controls. The CD Activity Index (CDAI) score, Montreal classification, maintenance medicines, peripheral blood inflammatory markers, fecal calprotectin (FC) and the Simple Endoscopic Score for CD (SES‐CD) were recorded. To compare the expression of miR‐223 in the serum, intestinal tissue, and feces.ResultsMiR‐223 expression levels in the serum, intestinal tissue and feces of CD patients were significantly higher than those of controls. The level of miR‐223 in the serum, intestinal tissue and feces increased significantly in active CD patients compared with that in inactive CD patients. The levels of serum, intestinal tissue and fecal miR‐223 were correlated with the CDAI. Serum miR‐223 was also correlated with C‐reactive protein (CRP) and IL‐6, tissue miR‐223 correlated with IL‐6 and FC, and fecal miR‐223 correlated with FC. In terms of the association with FC, fecal miR‐223 had a higher Spearman r value than tissue miR‐223. The area under the curve (AUC) values of serum, tissue and fecal miR‐223 to diagnose CD were similar to those of CRP and FC (AUC > 0.8). The AUC values of tissue and fecal miR‐223 to evaluate CD disease activity were 0.832 and 0.818, respectively, and were higher than serum miR‐223, CRP and FC. Fecal miR‐223 had a higher specificity of 92.3%.ConclusionsFecal miR‐223 might be a novel, noninvasive biomarker for estimating the disease activity of CD patients.
Adaptive lambda schemes for efficient relative binding free energy calculation
Authors: Zeng Jin , Qian Yue 
Published: December 2023

AbstractThe relative free energy perturbation (RFEP) calculation is one of the most theoretically sound computational chemistry approaches for the binding affinity prediction. However, its application is often hindered by the complexity of the calculation choices and the requirement of expertise in the field. Improper lambda scheme of RFEP may result in deviations from an accurate description of the perturbation process and is prone to erroneous affinity predictions. To address such challenges, an automated adaptive lambda method is proposed where the adaptive lambda schemes are obtained through a split‐and‐merge algorithm based on the pilot runs. The newly established workflow along with a series of improvements to the perturbation settings increases the consistency of the RFEP calculation results. Comparing the pilot and adaptive lambda schemes, the latter demonstrated improvements in convergence and reproducibility and lowered the mean unsigned error and the root‐mean‐square error. Overall, the adaptive lambda method is a reliable and robust choice to predict small molecule relative binding free energy and can be capitalized to benefit routine RFEP calculations for drug discovery projects.
Vegetation response to droughts: The case of northern Italy
Authors: Baronetti Alice , Menichini Matia , Provenzale Antonello 
Published: December 2023

AbstractDrought is a normal and recurrent climate feature, but one of the most important climate hazards that can produce negative effects on natural and socioeconomic systems. The northern part of Italy is historically rich in water resources and a very fertile and productive area. Recently, however, drought events increased their influence on the hydrological behaviour of the main rivers in this region. In this work, we analyse the spatial distribution of drought events and their effects on vegetation greenness in northern Italy during the 2000–2020 period, using MODIS images at 1 km spatial resolution. Correlation maps between fields of bi‐weekly vegetation indices (normalized difference vegetation index [NDVI] and enhanced vegetation index [EVI]) and drought indices (standardized precipitation index [SPI] and standardized precipitation evapotranspiration index [SPEI]) were estimated. To generate the SPEI index, 150 daily precipitation and temperature ground station series were collected, aggregated at bi‐weekly scale, reconstructed, homogenized and spatialized at 1 km resolution by mean of Universal Kriging with auxiliary variables. The NDVI and EVI indices (MOD13A2) and the land surface temperature (LST; MOD11A2) were collected from MODIS images and quality checked, removing pixels with clouds and low‐quality data. Drought events were detected by means of the SPEI and SPI at medium (12‐months) and long (24 and 36 months) timescales. The events were characterized by drought intensity, duration and percentage of affected area. For each pixel, the Pearson's correlation between NDVI/EVI and SPEI/SPI at different timescales was estimated. On the basis of the correlation maps and the CORINE Land Cover 2020 (MCD12Q1), we estimated the drought impact on different vegetation types as the percentage of vegetation undergoing drought stress. The investigation on drought indices has revealed nine main summer and spring events in the study period. The events of summer 2003 and 2017 were especially remarkable, with respectively 50% and 40% of the total area under drought according to the SPEI index at 12 months. The correlation between drought and vegetation indices revealed that in the Po Valley and Tuscan hills, the vegetation communities perturbed by agriculture are those that are most affected by droughts, with 13% of vegetation under drought on long timescales. This study also indicated that in the last two decades, the main trigger of droughts in northern Italy was the lack of precipitation rather than pure temperature increase.
Antibacterial polymer composites for implants made of polylactide and polyetheretherketone with zinc oxide: Properties, degradation and efficacy
Authors: Rode C. , Oehler H. , Brauch N. , Wyrwa R. , Schnabelrauch M. , Sachse S. , Alig I. 
Published: December 2023

AbstractDas Ziel dieser Studie war, zur Infektionsvermeidung einen antibakteriellen Wirkstoff in Implantate aus Kunststoff zu integrieren und das Alterungsverhalten dieser Kunststoffkomposite in physiologischer Lösung in Abhängigkeit von Füllstoffart und ‐anteil sowie der Prozessparameter zu untersuchen. Der bereits beim Compoundieren in den Kunststoff eingearbeitete Wirkstoff soll im Körper über einen langen Zeitraum wirksam bleiben. Unter Variation der Prozessbedingungen in der Schmelzeverarbeitung wurden Kunststoffkomposite aus einem biodegradierbaren Polylactid (PLA) mit Tricalciumphosphat (TCP) und Zinkoxid (ZnO) als antibakteriellem Wirkstoff versetzt. In ein nichtabbaubares Polyetheretherketon (PEEK) wurden Hydroxylapatit (HAP) und Zinkoxid eingearbeitet. Die Werkstoffeigenschaften der Kunststoffkomposite wurden charakterisiert und in Hinblick auf ihr in‐vitro‐Verhalten untersucht. Die Untersuchungen erfolgten durch Gelpermeationschromatographie (GPC), Differenzialkalorimetrie (DSC), Zugprüfungen, Erfassung der Massenänderung während der Einlagerung und den Colony Forming Units Test (CFU). Über die untersuchte Einlagerungsdauer von 9 Monaten in phosphatgepufferter Salzlösung (PBS) bei 37 °C zeigten die Kunststoffkomposite eine antibakterielle Wirksamkeit gegenüber Escherichia coli.
Manufacturing of multi material wall via fused filament fabrication: An insight characteristics
Authors: Subramaniyan M. K. , Veeman D. , Vellaisamy M. , Browne M. A. , Patil B. P. 
Published: December 2023

AbstractPolylactic acid has found its way into innovative engineering application in aerospace, defense and drone technologies through its unique characteristics such as high strength, low density and easy availability. Carbon fiber reinforced polylactic acid are polymeric composites with polylactic acid as base matrix that has distinctive properties such as extreme durability and high strength to weight. Fused filament fabrication is a type of additive manufacturing technique that comes under material extrusion. Multi material is an engineering concept that enables fabrication of structure that has varying functional properties along a certain direction. This engineering material combines the seemingly incompatible properties of two different material. The aim of this study is to provide insight on the mechanical behavior of multi material wall manufactured through fused filament fabrication. The coupons were prepared and tested in accordance with American society for testing and materials standards. The mechanical tests revealed that multi material possess better mechanical properties than polylactic acid and was on par with carbon fiber reinforced polylactic acid. The images from optical microscope was used to analyse bonding, buckling and fracture morphologies. These results would provide idea such that this multi material could either replace existing material or have its own new application.
Evaluating mechanical behavior and wear properties of magnesium‐cerium binary alloy produced by stir casting route
Authors: Gollamudi E. B. , Babu J. M. 
Published: December 2023

AbstractIn the present work, magnesium cerium binary alloy with varying cerium content (0.5 %, 1 %, 1.5 % and 2 %) has been produced by stir casting and microstructure, mechanical properties and wear characteristics have been investigated. From the microstructural observations, development of intermetallic at the grain boundaries was observed with higher cerium content. X‐ray diffraction analysis of the produced samples indicated peaks corresponding to solid solution grains of magnesium and cerium and Mg12C intermetallic. Hardness measurements showed improved values for the alloy with 1.5 % and 2 % cerium. Tensile test results demonstrated higher strength at the cost of losing ductility with the increased cerium content. Enhanced mechanical performance in the alloys with higher cerium can be attributed to the presence of intermetallics at the grain boundaries. Increased wear resistance as reflected from the lower frictional force and wear has been observed for the alloy with 2 % cerium.
Process development for the production of free‐standing titanium coatings with plasma spraying
Authors: Bobzin K. , Zhao L. , Heinemann H. , Burbaum E. 
Published: December 2023

AbstractPoröse Transportschichten aus Titan bilden einen wichtigen Bestandteil für die Polymerelektrolytmembran‐Wasserelektrolyse. In der Forschung wird bereits aufgezeigt, dass poröse Transportschichten durch das Vakuumplasmaspritzen hergestellt werden können. Dazu werden Titanschichten durch die Ablösung vom Stahlsubstrat mit Hilfe einer Schwefelsäure‐Lösung hergestellt. Im Rahmen dieser Veröffentlichung werden neue Prozesse zur Herstellung freistehender Titanschichten verfolgt. Dazu wurden Titanschichten mit dem atmosphärischen Plasmaspritzen auf verschiedene Substrate aus kohlenstofffaserverstärktem Kohlenstoff, austenitischem Stahl sowie Titan appliziert. Die Temperatur der Proben wurde beim Beschichten mit einer Thermokamera erfasst. Titanschichten wurden mechanisch bzw. mit Hilfe der Ablösung einer Natriumchloridschicht im Wasser vom Substrat abgetrennt. Die Topografie der Substrate sowie der Titanschichten wurden mit dem konfokaler Laserscanning‐Mikroskop untersucht. Die Schichtstruktur der Titanschichten sowie die Oberfläche der Natriumchloridschicht wurden mithilfe von Rasterelektronenmikroskopie analysiert. Die Ergebnisse zeigen, dass die Titanschicht auf Basis der Eigenspannung im Schichtsystem vom Substrat aus kohlenstofffaserverstärktem Kohlenstoff mechanisch abgetrennt werden konnte. Die Neigung zur Schichtabtrennung vom Stahlsubstrat ist jedoch abhängig von den eingestellten Prozessparametern. Im Vergleich zu einer rein mechanischen Schichtablösung ermöglicht eine Natriumchlorid‐Zwischenschicht auf dem Titansubstrat eine deutlich höhere Zuverlässigkeit und Reproduzierbarkeit der Schichtablösung.
Injection parameters affecting the mechanical and morphological characteristics of polylactic acid/flax green composites: An experimental investigation
Authors: Debnath M. , Chakraborti P. , Rao G. S. 
Published: December 2023

AbstractThis research aims to study the effect of injection parameters on the mechanical properties of the developed green composites. Natural flax fibre and biodegradable polymer, polylactic acid was chosen to develop the green composites. The flax fibre was chemically treated using sodium hydroxide to fabricate the green composite by injection moulding. The injection parameters namely (i) injection pressure (bar), (ii) injection speed (mm/s), and (iii) injection temperature (°C) was considered to investigate their effect on the mechanical properties of developed polylactic acid/flax green composites. The mechanical properties, such as (a) tensile strength (TS), (b) tensile modulus (TM), (c) percentage elongation under tensile loading (PET), (d) flexural strength (FS), (e) flexural modulus (FM), (f) percentage elongation under flexural loading (PEF), (g) compressive strength (CS), and (h) shear strength (SS) was evaluated under different injection conditions. Furthermore, the morphology of the mechanically tested specimens was investigated using a scanning electron microscope. Grey relational analysis was performed to find the optimal injection condition. The optimum injection condition depicting superior mechanical properties was found at injection parameters combination of 90 bar (injection pressure), 60 mm/s (injection speed), and 165 °C (injection temperature).
Effects of polygenes, parent–child relationship and frustration on junior high school students' aggressive behaviors
Authors: Zhang Minghao , Jiang Zhenli , Zhao Kedi , Zhang Yaohua , Xu Min , Xu Xiaohui 
Published: December 2023

AbstractThe effects of the interaction between polygenes and the parent–child relationship on junior high school students' aggressive behaviors were explored through the frameworks of gene‐endophenotype‐behavior and neurophysiological basis. A total of 892 junior high school students participated in this study. They were asked to complete self‐reported questionnaires, and saliva samples were collected. Results showed that 5‐HTTLPR, MAOA‐uVNTR, COMT (rs4680), and Taq1 (rs1800497) of the DRD2 gene affected students' aggressive behaviors in an accumulative way. The polygenic risk score explained 3.4% of boys' aggression and 1.1% of girls' aggression. The interactions between polygenic risk score and parent–child conflict significantly affected the aggressive behaviors of male students, but did not show any significant effect on those of female students. The interactional effect of polygenic risk score and parent–child conflict on junior high school students' aggressive behaviors was completely mediated by frustration. However, the interaction effect of polygenic risk score and parent–child affinity on aggression was not affected by frustration. This study helps us better understand junior high school students' aggressive behaviors and promotes the prevention and correction of adolescents' problem behaviors.