bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparative spectroscopic study of Syringaldazine oxidation catalyzed by laccase in reverse micelles of AOT and aqueous medium. Influence of the UVB light on the enzymatic kinetic parameters in both media.
Authors: Parodi Facundo , Cacciari R. Daniel , Mazalu Jeremías N. , Montejano Hernán A. , Reynoso Eugenia , Biasutti M. Alicia 
Published: June 2022

Abstract
Laccase is a versatile enzyme for the oxidation of environmental contaminants and display great potential in many applications; however, it undergoes photo-degradation when irradiated with UVB light. The instability of this biomolecule can be improved by immobilization in different encapsulation media. In the present contribution, reverse micelles of AOT were used with this purpose. Moreover, the use of these kind of media can be relevant in the sense that they be able to mimetic the complexity of contaminated aquatic microenvironments where the enzymes can be used as biological remediation agents.The laccase activity from spectroscopic data, using syringaldazine as substrate has been studied in the absence and in the presence of reverse micelles of 0.15 M AOT/isooctane at W0 ([H2O]/[AOT]) =30, before and after irradiation of the enzyme with UVB light.The kinetic parameters, i.e. Michaelis-Menten constant (KM), catalytic constant (kCAT) and catalytic efficiency (kCAT / KM) were determinate in the micellar system and in aqueous medium and comparatively analyzed. From this comparison, it was found that the enzyme presents a considerably photo-protection when irradiated with UVB light in reverse micelles as compared with the aqueous medium. Moreover, taking into account the distribution of the substrate in the two pseudo-phases (micellar and organic solvent), the activity of the enzyme is significantly preserved in the micellar medium.
Fabrication of high accuracy micro-hole by micro-EDM under tool electrode spiral motion feed mode aided with fixed reference axial compensation
Authors: Gou Junfeng , Lai Jingyun , Lin Haoran , Chan Kangcheung , Yue Taiman , Zuo Xinlang , Zou Zhixiang , Liu Jiangwen 
Published: June 2022

Abstract
The accumulation of debris in the inter-electrode gap caused by inefficient flushing during the micro-electrical discharge machining (micro-EDM) process leads to severe tool electrode wear and decreases the machining accuracy of micro-holes. In this study, a novel method of tool electrode spiral motion feed mode combined with fixed reference axial compensation (FRAC) is proposed to promote the evacuation of debris and improve the machining accuracy of micro-holes. Different depths of micro-holes in titanium alloy are drilled using the tool electrode linear feed mode and tool electrode spiral motion feed mode combined with FRAC and without compensation. The process parameters are optimized and determined by means of response-surface experiments. The results show that the tool electrode spiral motion feed mode can improve the debris evacuation more effectively than the tool electrode linear feed mode. The micro-hole without a cone at the bottom can be fabricated using the tool electrode spiral motion feed mode. The introduction of FRAC method can improve the depth error of micro-holes further. A high accuracy micro-hole with a depth error of only 0.21% can be fabricated efficiently under the optimal process parameters. The tool electrode spiral motion feed mode combined with FRAC has an obvious advantage in the fabrication of high accuracy micro-holes during the micro-EDM process.
Development and psychometric evaluation of self-management scale for patients with polycystic ovary syndrome in China: Protocol for a mixed-method study
Authors: Yan Xin , Ding Rui , Liu Ying , Guo Yunmei , Wang Lianhong 
Published: June 2022

Abstract
Background: Although self-management does great importance to women with PCOS, there’s no standardized instrument to measure self-management ability in women with PCOS. The study aims to develop and evaluate psychometric properties of a PCOS self-management scale(PCOS-SMS).Method: This is a mixed-method study with a qualitative and a quantitative phase. The study will start from literature review, in which way we could combined the traditional chronic disease management evaluation method with the physiological and psychological characteristics of PCOS patients. Then qualitative study will be carried out to understand the experience and feelings of self-management in PCOS women and construct item pool of PCOS self-management scale. Delphi survey will give grading and guidance to the scientific of scale construction. The quantitative phase will evaluate the psychometric properties in each items including face, content, and construct validity as well as reliability.Discussion: The successful construction of the scale can provide an useful tool to evaluate the effectiveness of self-management projects for patients with PCOS as well as a certain reference for the development of relevant scales in the future.Ethics and dissemination: Ethical approval was provided by Ethics Committee of Affiliated Hospital of Zunyi Medical University(KLLY-2021-186). Findings from this study will be disseminated to professionals and the public via peer-reviewed journal publications, popular social media and conference presentations.
Development and retrospective evaluation of a clinical decision support system for the efficient detection of drug-related problems by clinical pharmacists
Authors: Skalafouris Christian , Blanc Anne-Laure , Grosgurin Olivier , Marti Christophe , Samer Caroline , Lovis Christian , Bonnabry Pascal , Guignard Bertrand 
Published: June 2022

Abstract
Background: Clinical decision support systems (CDSS) can help identify drug-related problems (DRPs). However, the alert specificity remains variable. Defining more relevant alerts for detecting DRPs would improve CDSS.Aim: Developpment and assessment of electronic queries based on health records to identify DRPs.Method: Electronic queries were set up in CDSS using triggers from electronic health records; drug prescriptions, laboratory values, medical problems, vital signs, demographics). They were based on a previous study where internal medicine patients benefited from a multidisciplinary medication review (gold-standard) to highlight potential DRPs. Electronic queriess were retrospectively tested to assess performance in detecting DRPs revealed with gold-standard. For each EQ, sensitivity, specificity, positive and negative predictive value (PPV, NPV) were computed.Results: Of 909 DRPs found for 315 patients, 700 (77.8%) were used to create 366 EQs. EQs correctly detected 77.0% of DRPs. EQs’ median sensitivity and specificity were 100.0% (100.0%–100.0%) and 99.7% (97.0%–100.0%); median PPV and NPV were 50.0% (12.5%–100.0%) and 100.0% (100.0%–100.0%). Performances varied according to triggers (p<10-5, best performance in terms of PPV when exclusively involving drug prescriptions). Conclusion: EQs based on electronic heath records had high sensitivity and NPV and acceptable specificity and PPV and may contribute to facilitate medication review. Their prospective assessment with pharmacists’ participation in medical rounds will enable improvements to this model.
Predicting nitrogen use efficiency, nitrogen loss and dry matter intake of individual dairy cows in late lactation by including mid-infrared spectra of milk samples
Authors: SHI RUI , Lou Wenqi , Ducro Bart , Linden Aart van der , Mulder Han A. , Oosting Simon J. , Li Shengli , Wang Yachun 
Published: June 2022

Abstract
Background
Nitrate leaching to groundwater and surface water and ammonia volatilization from dairy farms have negative impacts on the environment. Meanwhile, the increasing demand for dairy products will result in more pollution if N losses are not controlled. Therefore, a more efficient, and environmentally friendly production system is needed, in which nitrogen use efficiency (NUE) of dairy cows plays a key role. To genetically improve NUE, extensively recorded and cost-effective proxies are essential, which can be obtained by including mid-infrared (MIR) spectra of milk in prediction models for NUE. This study aimed to develop and validate the best prediction model of NUE, nitrogen loss (NL) and dry matter intake (DMI) for individual dairy cows in China.
Results
A total of 86 lactating Chinese Holstein cows were used in this study. After data editing, 704 records were obtained for calibration and validation. Six prediction models with three different machine learning algorithms and three kinds of pre-processed MIR spectra were developed for each trait. Results showed that the coefficient of determination (R2) of the best model in within-herd validation was 0.66 for NUE, 0.58 for NL and 0.63 for DMI. For external validation, reasonable prediction results were only observed for NUE, with R2 ranging from 0.58 to 0.63, while the R2 of the other two traits was below 0.50. The infrared waves from 973.54 to 988.46 cm− 1 and daily milk yield were the most important variables for prediction.
Conclusion
This study developed reasonable prediction models for N related traits of Chinese Holstein cows. Models with MIR spectra outperformed the other models indicating that MIR spectra have additional value for predicting these target traits. Pre-processing MIR spectra by mathematical algorithms may fail to improve prediction accuracies. The most important wave ranges of MIR (973.54 to 988.46 cm− 1) for prediction are associated with particular chemical compounds, which can be useful to unravel the biological mechanisms of nitrogen utilization in dairy cows. These models will be applied to large-scale data to further investigate the genetic architecture of nitrogen efficiency and further reduce the adverse impacts on the environment after more data is collected.
Direct evidence for upright and helical structure of alpha-synuclein at lipid membranes
Authors: Roeters Steven , Strunge Kris , Pedersen Kasper , Golbek Thaddeus , Bregnhøj Mikkel , Wang Yin , Dong Mingdong , Otzen Daniel , Schiøtt Birgit , Weidner Tobias 
Published: June 2022

Abstract
The aberrant folding of proteins into amyloid aggregates is associated with over 50 diseases. The amyloid aggregation of α-synuclein (αS), related to Parkinson’s disease, can be catalyzed by lipid-membrane surfaces. Despite the importance of lipid surfaces and several decades of structural studies, the 3D-structure of lipid-membrane bound αS is still not known in detail. In particular, there is little information about the self-assembly and orientation of αS when interacting with lipid surfaces under physiologically relevant conditions. Here, we report interface-specific vibrational sum-frequency generation (VSFG) experiments revealing how monomeric αS binds, folds and orients at anionic lipid membranes. Since VSFG is inherently surface specific, the experiments can be performed at high αS–lipid ratios, far beyond previous structural studies. To interpret the experimental VSFG data, we present an analysis method in which out-of-equilibrium molecular-dynamics simulations are used to generate a large amount of conformations, after which their spectral match is evaluated with excitonic amide-I calculations. Hereby, the previously-determined flat-lying helical structures are corroboratively derived at low αS concentrations, while at higher, physiological concentrations, a transition to interface-protruding αS structures occurs. Such an upright conformation promotes more extensive lateral interactions between monomers and may explain how, at high protein–lipid ratios, lipid membranes can catalyze the formation of αS amyloids.
Research on machining quality of 304 stainless steel deep hole by changing Angle of gun drill
Authors: Xie Chen , Liang Li , Zhang Ying , Lou Jiacheng , Pan Yu 
Published: June 2022

Abstract
With the continuous development of the manufacturing industry, the proportion of deep hole machining in mechanical processing is increasing. Demand for deep hole processing of 304 stainless steel is also increasing year by year. At the same time, due to the physical characteristics of 304 stainless steel and the uncontrollability of gun drill in processing, the quality of deep hole processing is relatively poor. The main research of this paper is as follows. Firstly, the stress model of drill bit is established by analyzing the structure of the drill bit. Secondly, a number of single-factor drilling experiments are carried out to control the cutting force in machining process by changing the forward angle of the inner and outer edges of the gun drill. Thirdly, based on the analysis of test results, this paper discusses the influence of the change of inner and outer edge Angle of gun drill on the surface quality of hole wall and the deviation of hole straightness. Finally, the paper studies the chip forming process of gun drill in deep hole machining of 304 stainless steel, and gives the best choice of cutting edge Angle.
Secure Spectrum Sharing for Satellite Internet-of-Things with Blockchain
Authors: Wang Li , Zheng Yuhang , Zhang Yu , Li Feng 
Published: June 2022

Abstract
The introduction of satellite communications will play a key role in next generation communications. However, satellite systems are faced with the challenge of efficiently managing the satellite spectrum resource when supporting the communication needs of massive Internet-of-Things (IoT) devices, which is expected to growth explosively in scale of deployment. To address this issue, we propose a blockchain-based satellite spectrum resource optimization scheme. The scheme is based on a market-driven spectrum trading technique to maximize the benefit of the satellite systems, hence the utilization of the spectrum resource. In specific, the proposed spectrum trading protocol focuses on the heterogeneity of LEO satellite spectrum, which covers a huge band range with varying transmission qualities, by allowing a price differentiation between different spectrum ranges. As a result, different terrestrial IoT systems may select their preferred spectrum range, and price, according to their own application requirements and budgets. Furthermore, data integrity is needed to ensure the proper functioning of the spectrum trading process. In the proposed scheme, we adopt a blockchain mechanism for facilitating spectrum trading with enhanced security, with all essential transaction-related data to be stored in a blockchain, which is used as a distributed and immutable data store for all records of the trading activities. Due to the limited computing power of terrestrial IoT device terminals, the blockchain is based on a Delegated Proof of Stake (DPoS) consensus algorithm which is believed to be more suitable for the scenario of satellite-based IoT systems.
Synthesis, Molecular Modeling and Biological Studies of Novel 1-Aryl-Thiazolo Benzimidazole Derivatives as Cytochrome (CYP51 MTb ) Type I Inhibitors &amp; Anticancer Agents
Authors: Fawzy Iten M. , Refaat Hanan M. , Attia Reem T. , Ibrahim Heba A. , Mandour Asmaa A. 
Published: June 2022

Abstract
The prominent biological activity of polycyclic systems inspired the synthesis of novel 1-Aryl-thiazolo-benzimidazole Derivatives (2a-e), (3a-e) and (4a-e). In vitro antiproliferative assay was performed on colorectal adenocarcinoma (SW620) and the novel compounds showed superior anticancer activity with IC50 in the range of 0.03–0.35 µM compared to reference compound Doxorubicin (DOX) with IC50 (0.07 µM). The ability of the new molecules to interact with extracted cytochrome CYP51MTb was also studied using absorption spectroscopy. Results showed mild type I spectral shift especially compound 4d displayed 3% shift in the spin state assay referring to the presence of electron withdrawing groups attached to benzene ring, thus that could be a promising nucleus for better cytochrome inhibition. The results were supported by molecular modeling studies to confirm general binding of the compounds to the hydrophobic region of the heme-protein. These outcomes encourage the new molecules to be candidates for new potential anticancer agents.
Adsorption removal of crystal violet in single and binary systems onto low-cost iron oxide nanoparticles coated clinoptilolite powders/granules
Authors: Noori Maryam , Tahmasebpoor Maryam , Nami Shamin Hosseini 
Published: June 2022

Abstract
Novel magnetic adsorbents of Clinoptilolite/Fe3O4 (Clin/Fe3O4) nanocomposite powders and Alginate/Clinoptilolite/Fe3O4 (Alg/Clin/Fe3O4) nanocomposite granules were synthesized to efficient removal of the cationic crystal violet (CV) dye in single and CV/methylene blue (MB) binary systems. The resulting adsorbents were characterized by FTIR, XRD, SEM, EDX, dot mapping, and BET analysis. Adsorption tests showed that Clin/Fe3O4 and Alg/Clin/Fe3O4 presented an excellent high affinity to CV removal as 94.32% and 92.35%, respectively in the single system and as 84.19% and 80.23%, respectively in the binary system. Based on the findings, pH was the most effective variable in the elimination process and the highest yield achieved at pH 8 for both adsorbents. The equilibrium data followed the Langmuir model (R2 > 0.9) based which the maximum adsorption capacity (qmax) using Clin/Fe3O4 and Alg/Clin/Fe3O4 was determined as 44.662 mg/g and 16.528 mg/g, respectively in the single system and it was computed to be 15.797 mg/g and 11.476 mg/g, respectively in the binary system. The kinetic data fitted well to the pseudo-second-order model in both systems. The adsorption process was exothermic and thermodynamically spontaneous. Moreover, the adsorbents showed excellent recycling ability over the desorption tests, thus leading to a promising and green-based adsorbents for the removal of dyes. The electrical conductivity (EC) of MB, CV, and CV/MB solutions and also a real wastewater sampled from a dyeing unit were measured before and after treatment and the results showed that the EC of all samples was reduced.
The Impact of Team Triage Method on Emergency Department Performance Indexes: A quasi-interventional study
Authors: Yousefi zhila , Shahsavarinia Kavous , Zahedi Hamideh , Feizollahzadeh Hossein 
Published: June 2022

Abstract
Background: One of the new and effective methods of patient triage in the emergency department is the use of team triage including physician and nurse. Given that there is no conclusive evidence on the effectiveness of using team triage, therefore the aim of this study was to investigate the effect of team triage method on emergency department performance indexes. The present study is a quasi-interventional study in which 200 patients referred to the emergency department in XXX hospital of XXX in 2020.Methods: Participants were randomly assigned to two groups (team triage, conventional triage) and were evaluated. The patient demographic characteristics questionnaire, five-level triage form of Emergency Severity Index and Press-Ganey satisfaction questionnaire were used to collect data and evaluation of patient satisfaction about waiting time. Results: The results showed that there is a complete agreement between both groups and emergency physician about patient triage (kappa=1). The mean score of waiting time for the first physician visit in team triage was 3.5 minutes, which was statistically significantly lower than the conventional triage about 8.79 minutes (P=0.001, t=-8.65). Also, the mean score of waiting time for receiving the first treatment in team triage was 7.8 minutes, which was statistically significantly lower than the conventional triage about 17.9 minutes (P=0.001, t=-9.36). Finally, the mean score of patients' satisfaction in team and conventional triage was 95.15 and 73.91, respectively, which was statistically significantly higher in team triage (P=0.001, t=5.06). Conclusions: The findings indicate that team triage method in comparison to conventional triage, decreasing the waiting time for receiving the first service, length of stay and improving of patient's satisfaction. Therefore, in order to improve the performance indicators of the emergency department, it is recommended that hospital managers use the team triage method, and hold training workshops to train skilled and efficient personnel.
Physical performance in older age by sex and educational level: The HUNT Study
Authors: Melsæter Kjerstin N , Tangen Gro G , Skjellegrind Håvard K , Vereijken Beatrix , Strand Bjørn H , Thingstad Pernille 
Published: June 2022

Abstract
Background: Population-based studies on physical performance provide important information on older people’s health but rarely include the oldest and least-healthy segment of the population. The aim of this study was to provide representative estimates of physical performance by age, sex, and educational level based on recent data from a population-based health study in Norway that includes a wide range in age and function. Methods: In the fourth wave of the Trøndelag Health Study (2017–2019), all participants age 70+ were invited to an additional examination of physical performance assessed by the Short Physical Performance Battery (SPPB), either by attending a testing station or by visits from ambulatory teams. The distribution and variation in SPPB total and subscores, as well as gait speed, are presented by sex, age, and educational level. Results: The SPPB was registered in 11,394 individuals; 54.8% were women; the age range was 70–105.4 years, with 1,891 persons age 85+. SPPB scores decreased by 0.27 points (men) and 0.33 points (women) for each year of age and gait speed by 0.02 m/sec (men) and 0.03 m/sec (women). Using a frailty cut-off for gait speed at < 0.8 m/sec, the proportion of participants categorized as frail increased from 13.9% in the 70–74 years cohort to 73.9% in participants age 85+. Level of education ≤ 10 years corresponded to 6 years (men) and 4 years (women) for earlier onset of frailty compared to education ≥ 14 years. Conclusion: We found that the SPPB captured a gradual decline and wide distribution in physical performance in old age. The results provide information about physical performance, health status, and risk profiles at a population level and can serve as reference data for clinicians, researchers, and healthcare planners whose focus is geriatric health.