bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ökobilanzielle Bewertung von alternativen Bauweisen am Beispiel eines typischen Überführungsbauwerks im Zuge von Autobahnen
Authors: Mancke Raoul , Gebert Gregor 
Published: June 2022

AbstractFür ein typisches Überführungsbauwerk einer Bundesautobahn wurden im Rahmen einer Machbarkeitsstudie verschiedene alternative Bauweisen miteinander verglichen und hinsichtlich ihrer Ökobilanz bewertet. Neben den heutigen Standardbauweisen in Stahlverbund und Spannbeton wurden auch neue, innovative Lösungen mit Einsatz von Holz, hochfestem bzw. Carbonbeton betrachtet, um deren Potenzial in Bezug auf die Nachhaltigkeit zu analysieren. Die ökobilanzielle Bewertung wurde ergänzend zu technischen und ökonomischen Kriterien herangezogen, um eine ganzheitliche Betrachtung der Varianten zu ermöglichen. Der Vergleich erfolgte für eine konkrete Wirtschaftswegüberführung im Zuge des geplanten Neubaus der A 20 in Schleswig‐Holstein. Für die verschiedenen Varianten wurde durch spezialisierte Fachplaner die technische Lösung entwickelt und dazu die konkreten Mengen ermittelt. Die Bearbeitung erfolgte unter der Maßgabe, die alternativen Varianten baulich zu realisieren, um Erfahrungen in der baupraktischen Umsetzung zu sammeln. Im folgenden Beitrag werden die Varianten in Bezug auf die technische Lösung vorgestellt. Anschließend wird die angewandte Methode der ökobilanziellen Bewertung vorgestellt und auf das Potenzial der neuen Varianten eingegangen.
Farm Hall Transcripts Reconsidered
Authors: Holton Gerald 
Published: June 2022

AbstractThe Farm Hall Transcripts appeared to offer a unique opportunity for a study in the history and sociology of science. My request for access to the transcripts was initially denied, but later was allowed thanks to the intervention of British intellectuals. The recorded opinions of the interned German scientists indicate that initially they had attempted to produce a nuclear weapon, but later abandoned it. The record also traces their development of a view of history, by which the relative morality of the German scientists’ work could be judged, versus that of the Allies.
Profiling of lysophosphatidylethanolamine molecular species in human serum and in silico prediction of the binding site on albumin
Authors: Inoue Nao , Sakurai Toshihiro , Yamamoto Yusuke , Chiba Hitoshi , Hui Shu‐Ping 
Published: June 2022

AbstractLysophosphatidylethanolamine (LPE) is a major lysophospholipid produced by phospholipids and binds to human serum albumin (HSA). LPEs may play various roles in vivo depending on the differences in their acyl chains. However, only few reports have been published on the biological functions of LPEs. Hence, we determined the exact relative abundance of the major LPEs in the serum of healthy participants (n = 8) using liquid chromatography–tandem mass spectrometry. Consequently, LPE 18:2 (24.1 ± 5.2%) was found to be the most abundant in serum. To understand the distribution of LPEs, the serum separated via gel‐filtration high‐performance liquid chromatography was subjected to quantitative measurement. LPEs were more observed in the albumin fraction than the lipoprotein fraction. We also performed a fluorescence displacement assay and an in silico molecular docking experiment using AutoDock to confirm the affinity and binding sites of the LPEs on HSA. The binding affinities of the LPEs for drug sites 1 and 2 on HSA were relatively low, with Ki values of approximately 11 and 3.8 μM, respectively. AutoDock analysis revealed the conformation of the LPEs bound to drug sites and the possibility of LPEs binding to other HSA sites. These findings could help to elucidate the biological and pathological functions of LPEs.
Modeling a propionate‐oxidizing syntrophic coculture using thermodynamic principles
Authors: Leurent Alexandre , Moscoviz Roman 
Published: June 2022

AbstractA coculture of Syntrophobacter fumaroxidans and Methanospirillum hungatei was modeled using four biokinetic models, which only differed by the functions used to describe the growth yields (dynamic or constant) and the hydrogen inhibition function (noncompetitive or based on thermodynamics). First, a batch experiment was used to train the model and analyze the fitted parameters. Two fitting procedures were followed by minimizing the error on different indicators. Second, a chemostat experiment was used as a test data set to assess the predictive power of the models. Overall, the four models were able to accurately fit the train data set following both fitting procedures. However, some parameters fitted with the ADM1‐like model differed significantly from values reported in the literature and were dependent on the fitting procedure. When applied to the test data set it systematically resulted in positive Gibbs free energy changes values for propionate oxidation, in contradiction with the second law of thermodynamics. On the opposite, the parameters fitted with model including both a thermodynamic‐based inhibition function and a dynamic computation of growth yields were more consistent with values reported in the literature and repeatable whatever the fitting procedure. The results highlight the potential of implementing thermodynamic‐based functions in biokinetic models.
Advances in 2D coordination networks for single‐crystal‐to‐single‐crystal applications beyond confined pores
Authors: Kim Dongwon , Kim Gyeongwoo , Han Jihun , Jung Ok‐Sang 
Published: June 2022

AbstractResearch issue on 2D coordination networks is moving toward practical applications. Recent developments in such 2D networks include exciting advances in efficient single‐crystal‐to‐single‐crystal (SCSC) functionality. This account highlights advances in various 2D coordination networks as SCSC porous platforms for dye inclusion as an energy transfer system, template for x‐ray crystal structure determination of various liquids, polymorphism materials, efficient heterogeneous catalysts, separation of o‐, m‐, and m‐xylene, sensing via interlayer‐tuning, recognition and reservoir of unstable diiodomethane, chiral recognition in SCSC mode. The key point of their utility is not only the construction of recyclable tolerant 2D networks but also channel‐tuning for inclusion of targeting guest molecules. The targeting guest molecules, which are appropriate with the polarity, shape, and size of 2D pores, can, instead of simple organic solvates, be incorporated into the porous crystals in SCSC mode, thus giving rise to recyclable tolerant host–guest systems in the crystalline state.
Quantitative determination of LY‐404,039, a metabotropic glutamate 2/3 receptor agonist, in rat plasma using chemical derivatization and HPLC–MRM/MS
Authors: Kang Woojin , Gaudette Fleur , Bédard Dominique , Beaudry Francis , Huot Philippe 
Published: June 2022

AbstractA rapid, selective and sensitive method was developed and validated for the determination of LY‐404,039 concentration in rat plasma using a butylation derivatization step to improve chromatographic characteristics and enhance signal intensity. The method consisted of a protein precipitation extraction followed by derivatization with butanol/HCl and analysis by high‐performance liquid chromatography tandem mass spectrometry (HPLC–MS/MS). The separation was achieved using a 100 × 2.1 mm (2.6 μm) Thermo Scientific Accucore RP‐MS column combined with an isocratic mobile phase composed of 40:60 acetonitrile–0.1% formic acid in water. An analytical range of 2.0–1,000 ng/ml was validated and used to quantify LY‐404,039 in rat plasma. The novel method met all of the requirements of specificity, sensitivity, linearity, precision, accuracy and stability. A pharmacokinetic study was performed in rats and the novel analytical method was used as a routine analysis method to provide enhanced measurements of plasma concentrations of LY‐404,039. The plasma pharmacokinetic results indicate very short terminal half‐life (0.27 h ± 0.8) and high clearance (0.97 L/h/kg ± 0.12), suggesting that LY‐404,039 is rapidly eliminated in the rat. Dose‐dependent pharmacokinetics were observed following subcutaneous administration of LY‐404,039 at doses of 0.1, 0.3 and 1.0 mg/kg.
Heteroatom‐Doped Three Dimensional Hierarchical Porous Carbon Sphere from Melamine and Glucose for High‐Performance Supercapacitor
Authors: Gao Guangying , Chang Chengshuai , Zhu Yuxin , Cong Chao , Ma Xiao , Li Li , Zhang Li , Wang Shulan 
Published: June 2022

AbstractHeteroatom‐doped‐carbon with high electrochemical performance is crucial for the development of advanced carbonaceous materials for energy use. However, achieving homogeneous doping while maintaining electrochemically active microstructure remains challenging. Herein, a feasible hydrothermal protocol to fabricate uniformly N‐doped carbon spheres by in‐situ treatment of glucose and melamine was shown. Melamine served as the soft template to introduce heteroatom dopants while releasing gases to enrich the porous structure. Profiting from the structural directing effect of melamine along with an effective fabrication route, the as‐prepared material presented multiple electrochemically advantageous features including a high surface area, a hierarchical porous structure at different levels, abundant heteroatom doping, etc., and thus delivered high supercapacitance. This work provided an effective strategy for fabrication of carbonaceous scaffold for advanced heterostructured energy materials.
Resolving Atomic‐Scale Defects in Conjugated Polymers On‐Surfaces
Authors: Mallada Benjamín , Chen Qifan , Chutora Taras , Sánchez‐Grande Ana , Cirera Borja , Santos José , Martín Nazario , Ecija David , Jelínek Pavel , de la Torre Bruno 
Published: June 2022

AbstractAtomic scale defects significantly affect the mechanical, electronic, and optical properties of π‐conjugated polymers. Here, isolated atomic‐scale defects are deliberately introduced into a prototypical anthracene‐ethynylene π‐conjugated polymer, and its local density of states is carefully examined on the atomic scale to show how individual defects modify the inherent electronic and magnetic properties of this one‐dimensional systems. Scanning tunneling and atomic force microscopy experiments, supplemented with density functional theory calculations, reveal the existence of a sharp electronic resonance at the Fermi energy around certain defects, which is associated with the formation of a local magnetic moment accompanied by substantial mitigation of the mobility of charge carriers. While defects in traditionally synthesized polymers lead to arbitrary conformations, the presented results clearly reflect the preferential formation of low dimensional defects at specific polymer sites, which may introduce the possibility of engineering macroscopic defects in surface‐synthesized conjugated polymers.
PROTOCOL: Mental disorder, psychological problems and terrorist behaviour: A systematic review
Authors: Sarma Kiran M. , Carthy Sarah L. , Cox Katie M. 
Published: June 2022

AbstractThis is the protocol for a Campbell systematic review. The objectives are as follows: the first objective of the review (Objective 1—Prevalence) is to present a synthesis of the reported prevalence rates of mental health difficulties in terrorist samples. Where sufficient data is available, the synthesis will be sensitive to the heterogeneity of the terrorism phenomenon by exploring the rates of mental health difficulties for different forms of terrorism and for different terrorist roles (e.g., bombing, logistics, finance, etc.). The second objective (Objective 2—Temporality) will synthesise the extent to which mental health difficulties pre‐date involvement in terrorism within prevalence studies. Finally, the third objective (Objective 3—Risk) aims to further establish temporality by examining the extent to which the presence of mental disorder is associated with terrorist involvement by comparing terrorist and non‐terrorist samples.
Exploring sustainable development goals reporting practices: From symbolic to substantive approaches—Evidence from the energy sector
Authors: Manes‐Rossi Francesca , Nicolo' Giuseppe 
Published: June 2022

AbstractBased on the legitimacy theory, the study enhances the understanding of disclosure practices of European companies operating in the energy sector regarding the adherence to Sustainable Development Goals (SDGs). Toward this end, the study analyses how SDGs reporting is evolving and what are the most addressed SDGs in the context of European energy sector companies. The paper's ultimate contribution is to dive deep into how such companies disclose their contributions to the SDGs to determine whether they adopt a substantive or merely symbolic approach to corporate legitimacy. To address the research objectives, a content analysis has been performed on non‐financial reports published by a sample of 15 European energy sector companies included in the Global Reporting Initiative database as SDGs reporters for the period 2017–2019. Our findings suggest that while SDGs are becoming an integral part of corporate disclosure, symbolic rather than substantial changes appear to prevail, calling for actions from legislators and policy‐makers.
Temporal trends in incidence, prevalence, and death of aortic stenosis in Korea: a nationwide population‐based study
Authors: Jang Shin Yi , Park Sung‐Ji , Kim Eun Kyoung , Park Seung Woo 
Published: June 2022

AbstractAimsWe aim to determine the temporal trends of incidence, prevalence, and death of aortic stenosis (AS, I35.0) in an East Asian population.Methods and resultsData for 3773 patients who were newly diagnosed with AS from 2006 through 2017 were extracted from the National Health Insurance Service in Korea. The age‐standardized incidence rate, prevalence rate, and death rate, survival rate (SR), and death risk of AS were calculated. Overall, the mean (standard deviation) age of AS patients was 69.9 (15.3) years [66.2 (15.7) years for men and 72.7 (14.4) years for women (P = 0.007)], and the proportion of men was 42.7%. The proportion of AS patients ≥60 years old was 80% (71.8% in men and 86% in women, P < 0.001). The proportion of patients who died of AS was 36.4% during the period from 2006 through 2017. The most common causes of death were disease of the circulatory system. The age‐standardized incidence, prevalence, and death rates in 2017 were 0.85, 2.79, and 0.58 persons per 100 000 persons, respectively. The 10 year SR was 49.2%. The higher adjusted HRs [95% CI] for AS were observed in 70‐ to 79‐year‐old people (9.08 [1.27, 64.7], P = 0.027), in individuals 80 years of age or older (22.7 [3.18, 161.9], P = 0.001), in men (1.46 [1.31, 1.63], P < 0.001), among the middle socioeconomic group (1.19 [1.03, 1.37], P = 0.016), among the lower income levels (1.32 [1.17, 1.49], P < 0.001), in those with myocardial infarction (1.57 [1.16, 2.13], P = 0.003), with heart failure (1.63 [1.44, 1.85], P < 0.001), with ischaemic stroke (3.26 [1.20, 8.85], P = 0.015), with haemorrhagic stroke (2.51 [1.94, 3.25], P = 0.02), with chronic kidney disease (2.51 [1.94, 3.25], P < 0.001), and with malignant neoplasm (2.33 [1.64, 3.31], P < 0.001).ConclusionsThe proportion of AS at age ≥60 years was 80%. For AS, the age‐standardized incidence rates were steady, prevalence rates increased, and death rates decreased by year over a decade. The 10 year SR of AS was about 50%. The most common cause of death in AS was disease of the circulatory system. Given the progressively higher incidence of AS with age continued efforts are required to increase awareness regarding AS‐related symptoms and potential complications in aged people.
Prognostic value of patient‐reported outcomes in predicting 30 day all‐cause readmission among older patients with heart failure
Authors: Zhang Xiaonan , Yao Ying , Zhang Yanwen , Jiang Sixuan , Li Xuedong , Wang Xiaobing , Li Yanting , Yang Weiling , Zhao Yue , Zang Xiaoying 
Published: June 2022

AbstractAimsPrevious prediction studies for 30 day readmission in patients with heart failure were built mainly based on electronic medical records and rarely involved patient‐reported outcomes. This study aims to develop and validate a nomogram including patient‐reported outcomes to predict the possibility of 30 day all‐cause readmission in older patients with heart failure and to explore the value of patient‐reported outcomes in prediction model.Methods and resultsThis was a prospective cohort study. The nomogram was developed and internally validated by Logistic regression analysis based on 381 patients in training group from March to December 2019. The nomogram was externally validated based on 170 patients from July to October 2020. Receiver operating characteristic curves, calibration plots and decision‐curve analysis were used to evaluate the performance of the nomogram. A total of 381 patients' complete data were analysed in the training group and 170 patients were enrolled in the external validation group. In the training group, 14.4% (n = 55) patients were readmitted to hospitals within 30 days of discharge and 15.9% (n = 27) patients were readmitted in the external validation group. The nomogram included six factors: history of surgery, changing the type of medicine by oneself, information acquisition ability, subjective support, depression level, quality of life, all of which were significantly associated with 30 day readmission in older patients with heart failure. The areas under the receiver operating characteristic curves of nomogram were 0.949 (95% CI: 0.925, 0.973, sensitivity: 0.873, specificity: 0.883) and 0.804 (95% CI: 0.691, 0.917, sensitivity: 0.778, specificity: 0.832) respectively in the training and external validation groups, which indicated that the nomogram had better discrimination ability. The calibration plots demonstrated favourable coordination between predictive probability of 30 day readmission and observed probability. Decision‐curve analysis showed that the net benefit of the nomogram was better between threshold probabilities of 0–85%.ConclusionsA novel and easy‐to‐use nomogram is constructed and demonstrated which emphasizes the important role of patient‐reported outcomes in predicting studies. The performance of the nomogram drops in the external validation cohort and the nomogram must be validated in a wide prospective cohort of HF patients before its clinical relevance can be demonstrated. All these findings in this study can assist professionals in identifying the needs of HF patients so as to reduce 30 day readmission.
Tuning the Properties of Chiral Nematic Mesoporous (Organo)silica Through Thiol‐Ene Click Chemistry
Authors: Szymkowiak Joanna K. , Walters Christopher M. , Hamad Wadood Y. , MacLachlan Mark J. 
Published: June 2022

AbstractChiral nematic mesoporous silica and organosilica have iridescent properties that make them attractive for decoration and sensing. The limited number of commercial organosilica precursors available to create these materials has meant that they have a limited range of chemical and mechanical properties. In this paper, we incorporate vinyl groups in the mesoporous (organo)silica materials and demonstrate their functionalization with thiols through the thiol‐ene click reaction. In this way, we have been able to access chiral nematic mesoporous materials with different functional groups on the surface. We demonstrate that the hydrophobicity of the materials can be tuned, enabling detection of mixtures of organic solvents in water as well as showing promise for ion sequestration.
Parallel Screening with 14C‐Labeled Carbon Dioxide: De‐risking the Staudinger‐Aza‐Wittig Reaction**
Authors: Babin Victor , Sallustrau Antoine , Molins Maxime , Labiche Alexandre , Goudet Amélie , Taran Frédéric , Audisio Davide 
Published: June 2022

AbstractCarbon isotope labeling is a useful technology for tracking the fate of organic compounds in the environment and in living organisms. In this context, the development of robust and general methodologies amenable to the direct functionalization of CO2 remains a significant task. In this communication, a de‐risking approach was developed to evaluate the robustness of the Staudinger aza‐Wittig sequence for carbon isotope labeling. This technology is based on [14C]CO2 screening that allowed to investigate the tolerance of the procedure with most representative heterocycles and functional groups found in FDA approved drugs.
Time‐ and frequency‐domain analyses of the hydraulic system using a discrete numerical scheme based on equivalent circuit modelling
Authors: Yan Shuangqing , Zheng Yang 
Published: June 2022

AbstractMathematical modeling is widely used for the time‐and frequency‐domain analysis of hydraulic systems. To explore the complicated hydraulic transients of the piping system under various operating conditions, different formulations of the equivalent circuit model (ECM) are systematically discussed in this study. In particular, comparative studies are performed regarding the restrictions on the tempo‐spatial discretization of the time‐domain ECM and the state‐of‐the‐art numerical schemes. In addition, the eigenanalysis of the free oscillation response and frequency features of the forced oscillation response were discussed in detail, respectively. Furthermore, the influence of spatial discretization on the frequency response precision for ECM is also quantified. Analytical results indicate that the ECM can achieve satisfactory performances in both numerical simulation and frequency analysis with affordable computational effort and relatively loose tempo‐spatial discretization restriction.
Genetic analysis and identification of low‐resistivity gas reservoirs of southwestern Sulige gas field in China
Authors: Yang Zhen , Zhang Xiaoli , Lu Junhui , Li Yajun 
Published: June 2022

AbstractSulige gas field is the largest natural gas producing area in China. Due to the “water blocking” effect, the gas–water layer significantly influences the development of gas reservoirs. The existence of low‐resistivity gas layers in the He 8 member of the Shihezi Formation in the southwestern Sulige gas field makes it challenging to distinguish the gas layers from the gas–water layers using conventional identification methods. To effectively identify the low‐resistivity gas layers, their genetic mechanisms are analyzed by studying their lithology and pore structural characteristics based on the well logging and core experimental data. The low‐resistivity gas layers are main affected by three causes: (1) electrical conductivity of argillaceous laminae in sandstone, (2) additional conductivity of clay minerals, and (3) high bound water saturation caused by the development of micropores and clay minerals in sandstone. Herein, to effectively distinguish the low‐resistivity gas layer from the gas–water layer based on the genetic mechanism of the low‐resistivity gas layer, first, a gas‐bearing index was constructed to characterize the gas‐bearing properties of the reservoir using the neutron logging and density logging curves after eliminating the influence of the dispersed shale. Second, a model to calculate the bound water saturation was constructed by selecting sensitive parameters with respect to the causes of bound water. Then, two plots, namely the gas‐bearing index–natural gamma relative value cross‐plot and the bound water content–porosity cross‐plots, were constructed using the gas testing data, and the identification standard of the low‐resistivity gas and gas–water layers was established. The interactive identification of the two cross‐plots effectively distinguished the low‐resistivity gas layer from the gas‐water layer, thereby providing a basis for understanding the distribution of gas and water in the southwestern Sulige gas field, which may guide further exploration and the deployment of the development well pattern.