bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Fluid Dynamics Characterization of High‐Capacity Structured Packing
Authors: Manh Tran Dinh , Nam Nguyen Dang , Babazadeh Houman , Moradi Rasoul 
Published: May 2020

AbstractThe novel wire gauze structured packing, PACK‐860, was characterized by means of numerical methods. The main features of PACK‐860 such as height equivalent to a theoretical plate (HETP) and dry/wet pressure drop were evaluated. The flow structure in this packing was described by numerical simulation. To estimate the amount of HETP and dry/wet pressure drop, three‐dimensional computational fluid dynamics (3D CFD) modeling with the Eulerian‐Eulerian multiphase approach was applied. The average relative errors between the results obtained from CFD simulation and experimental findings for mass transfer efficiency and wet and dry pressure drop were assessed. Numerical observations were found to agree well with the empirical results, proving the reliability of CFD simulations for modeling separation processes.
Inline Measurement of the Residence Time Distribution in High‐Pressure Extraction Columns
Authors: Brockkötter Johannes , Welkner-Hoffmann André , Jupke Andreas 
Published: May 2020

AbstractAxial backmixing lowers the efficiency of packed countercurrent high‐pressure extraction columns. To quantify backmixing, a method of measuring the residence time distribution and calculating the axial dispersion coefficient in high‐pressure extraction columns is introduced. Using a design of experiments, the effect of supercritical and liquid mass flow rates as well as the pressure at a constant temperature on the mean residence time and the axial dispersion coefficient are evaluated for the system water/supercritical CO2. The experimental data is correlated to the Reynolds and Schmidt number.
Ultra‐low thermal expansion behavior of spark plasma sintered Sn‐doped ZrMo2O8
Authors: Ramamurthy Jayanth R. , Kumar Ravi 
Published: May 2020

AbstractSn‐doped ZrMo2O8 exhibits a coefficient of thermal expansion that is tunable based on the amount of Sn present in the Zr lattice sites. The current study focuses on the facile sintering of this material using spark plasma sintering (SPS) process. Powder particles of the material were produced by co‐precipitation, and the formation of the desired cubic phase was confirmed using X‐ray diffraction. The powder particles were sintered using SPS at different temperatures to identify the optimum sintering conditions. The extremely high rate of heating during SPS process enables complete sintering while retarding the decomposition reactions. It was noticed that attaining dense phase pure samples is strongly dependent on the sintering conditions. The results from the dilatometry carried out on the sintered pellets resulted in ultra‐low thermal expansion coefficients in the order of 10−7/°C for the samples sintered at 500°C. Comparisons with other commercially available low coefficient of thermal expansion materials highlight the advantage of the current work.
Neuroarchitecture of the central complex in the brain of the honeybee: Neuronal cell types
Authors: Hensgen Ronja , England Laura , Homberg Uwe , Pfeiffer Keram 
Published: May 2020

AbstractThe central complex (CX) in the insect brain is a higher order integration center that controls a number of behaviors, most prominently goal directed locomotion. The CX comprises the protocerebral bridge (PB), the upper division of the central body (CBU), the lower division of the central body (CBL), and the paired noduli (NO). Although spatial orientation has been extensively studied in honeybees at the behavioral level, most electrophysiological and anatomical analyses have been carried out in other insect species, leaving the morphology and physiology of neurons that constitute the CX in the honeybee mostly enigmatic. The goal of this study was to morphologically identify neuronal cell types of the CX in the honeybee Apis mellifera. By performing iontophoretic dye injections into the CX, we traced 16 subtypes of neuron that connect a subdivision of the CX with other regions in the bee's central brain, and eight subtypes that mainly interconnect different subdivisions of the CX. They establish extensive connections between the CX and the lateral complex, the superior protocerebrum and the posterior protocerebrum. Characterized neuron classes and subtypes are morphologically similar to those described in other insects, suggesting considerable conservation in the neural network relevant for orientation.
A discrete event model for analysis and verification of time‐constrained business processes
Authors: Boukelkoul Sofiane , Maamri Ramdane , Chihoub Mohamed 
Published: May 2020

SummaryIn the purpose of analyzing and checking time constraints in business processes, we propose to model and simulate them in the “discrete event system specification” (DEVS) formalism. The proposed model will contain atomic DEVS models representing the activities, supervised by, other DEVS control models, and based on one to one mapping. Hence, guaranteeing a close concordance with the temporal requirements. Thus, the simulation of the model results in outputs about the successful execution regarding to the temporal constraints soundness. Therefore, the modeler will be able to predict unsuitable temporal behavior. Thus, the model responds to the lack of modeling tools that do not offer enough formal specification of time constraints at the earlier phases of design as in, the standard “business process management notation.” The proposed model handles different type of time constraints in business process such as intra‐activities, inter‐activities, and inter‐process time constraints. The proposed model is implemented into JAVADEVS using DEVS‐Suite platform.
Generalized Synthesis to Produce Transparent Thin Films of Ternary Metal Oxide Photoelectrodes
Authors: Lhermitte Charles R. , Polo Annalisa , Yao Liang , Boudoire Florent A. , Guijarro Nestor , Sivula Kevin 
Published: May 2020

AbstractDeveloping facile approaches to prepare non‐light‐scattering ternary oxide thin film photoelectrodes is an important goal for solar water splitting tandem cells. Herein, a novel synthesis route is reported that employs ethylenediaminetetraacetic acid (EDTA) to enable compatible water solubility of diverse metal cations, which affords transparent films by solution processing. By using BiVO4 as a model material, a remarkable improvement in transparency is demonstrated, quantified by the direct transmittance at 600 nm of >80 % versus the <10 % observed with state‐of‐the‐art electrodeposited thin films while maintaining reasonable solar‐driven oxidation photocurrents (1.75 mA cm−2 in the presence of a sulfite hole scavenger). Furthermore, it is demonstrated that the synthesis technique can be applied in a general fashion towards the synthesis of diverse n‐ and p‐type metal oxide materials, such as ZnFe2O4 and CuFeO2.
A novel approach of tensor‐based data missing estimation for Internet of Vehicles
Authors: Zhang Ting , Zhang Degan , Gao Jinxin , Chen Jie , Jiang Kaiwen 
Published: May 2020

SummaryIn the face of the current huge amount of intelligent traffic data, collecting and statistical processing is a necessary and important process. But the inevitable data missing problem is the current research focus. In this paper, a novel approach of tensor‐based data missing estimation for Internet of Vehicles is proposed for the problem of missing the Internet of Vehicles data: Integrated Bayesian tensor decomposition (IBTD). In the data model construction stage, the random sampling principle is used to randomly extract the missing data to generate a subset of data. And the optimized Bayesian tensor decomposition algorithm is used for interpolation. Introduce the integration idea, analyze, and sort the error results after multiple interpolations, consider the space‐time complexity, and choose the optimal average to get the best result. The performance of the proposed model was evaluated by mean absolute percentage error (MAPE) and root mean square error (RMSE). The experimental results show that the proposed method can effectively interpolate the traffic data sets with different missing quantities and get good interpolation results.
Discriminant analysis and interpretation of nuclear chromatin distribution and coarseness using gray‐level co‐occurrence matrix features for lobular endocervical glandular hyperplasia
Authors: Kanai Ryo , Ohshima Kengo , Ishii Keiko , Sonohara Masaki , Ishikawa Masahiro , Yamaguchi Masahiro , Ohtani Yuhi , Kobayashi Yukihiro , Ota Hiroyoshi , Kimura Fumikazu 
Published: May 2020

AbstractBackgroundLobular endocervical glandular hyperplasia (LEGH) is a disease considered to be the origin of tumorigenesis of minimal deviation adenocarcinoma, which has characteristic expression in the gastric pyloric mucosa. It is difficult to diagnose by nuclear findings because of lower nuclear atypia. In this study, nuclei of endocervical (EC) and LEGH cells were digitized, and nuclear information was quantified from nuclear images and objectively evaluated using a computer. We examined whether it is possible to distinguish between EC and LEGH cells, which is difficult by human eyes.MethodsSignal intensity, morphological features, Otsu thresholding technique and gray‐level co‐occurrence matrix (GLCM) features were calculated from nuclei of EC and LEGH cells on cytology microscopic images. Then, discriminant analysis was performed using the significant difference test and linear support vector machine (LSVM).ResultsGLCM features in LEGH cells were higher than those in EC cells. The nuclei of LEGH cells had a higher frequency of signal value pairs with a larger signal value difference than that of EC cells. Therefore, LEGH cell nuclei are thought to have more chromatin granules, and the chromatin is coarse and granular. Moreover, in the LSVM discriminant analysis, the accuracy of GLCM calculated using these features was 85.4%.ConclusionIn this study, GLCM accurately demonstrated the nuclear chromatin distribution and coarseness. Discriminant analysis of EC and LEGH cells using GLCM features is useful.
Postmortem metabolomics: Correlating time‐dependent concentration changes of xenobiotic and endogenous compounds
Authors: Brockbals Lana , Staeheli Sandra N. , Kraemer Thomas , Steuer Andrea E. 
Published: May 2020

AbstractPostmortem redistribution (PMR) describes the artificial postmortem concentration changes of xenobiotics that may pose major challenges in forensic toxicology. Only a few studies have systematically investigated time‐dependent postmortem drug concentration changes so far and the a posteriori estimation of the occurrence of PMR is not yet possible. In this context, the general concept that postmortem biochemical changes in blood might parallel drug redistribution mechanisms seems promising. Thus, the current study investigated the possible correlations between time‐dependent postmortem concentration changes of xenobiotic and endogenous compounds; exemplified for authentic morphine (n = 19) and methadone (n = 11) cases. Peripheral blood samples at two time‐points postmortem were analyzed for morphine and methadone concentrations and an (un)targeted postmortem metabolomics approach was utilized to combine targeted quantitative analysis of 56 endogenous analytes and untargeted screening for endogenous compounds (characterizing 1174 features); liquid and gas chromatography–mass spectrometry was used respectively. Individual statistically significant correlations between morphine/methadone and endogenous compounds/features could be determined. Hence, the general applicability of the proposed concept could successfully be confirmed. To verify the reproducibility and robustness of the correlating behavior, a larger dataset must be analyzed next. Once a marker/set of markers is found (e.g. robust correlation with specific xenobiotic or xenobiotic class), these could be used as surrogates to further study the time‐dependent PMR in a broader variety of cases (e.g. independent of a xenobiotic drug present). A crucial next step will also be the attempt to create a statistical model that allows a posteriori estimation of PMR occurrence of xenobiotics to assist forensic toxicologists in postmortem case interpretation.
A change domain‐based model repair method via Petri nets
Authors: Yu Lei , Liu Qingzhi , Hua Rong , Fu You 
Published: May 2020

AbstractProcesses in the Internet of things can be represented by Petri net. Based on the behavior process model of Petri net, a model‐based repair method based on change domain is proposed. By using the corresponding relation of consistency analysis between source model and target model, the suspicious area of source model is first found out, and then the suspicious area is gradually narrowed by algorithm until the range of change area is finally determined and the minimum change area is found. Then, the variation areas in the model are repaired based on the compactness. Finally, the proposed method is verified and analyzed with a practical application.
Construct validity, sensitivity and specificity of the USCD Performance‐based Skill Assessment 2 in a mixed Portuguese sample
Authors: da Motta Carolina , Castilho Paula , Pato Michele T. , Barreto Carvalho Célia 
Published: May 2020

AbstractAssessment batteries of functional capacity provide robust indicators of real‐world functioning in major psychiatric illnesses and important information on an individual's ability to live autonomously and pursue relevant psychosocial goals.ObjectivesThis study explores the psychometric properties of the Portuguese USCD Performance‐based Skill Assessment 2 (UPSA‐2‐PT) in a mixed sample of Portuguese participants.MethodA sample of 110 participants, 37 patients diagnosed with schizophrenia, 27 first‐degree relatives of patients and 46 controls were administered the UPSA‐2‐PT and self‐report questionnaires. The UPSA‐2‐PT reliability was assessed through inter‐rater reliability and internal consistency, convergent validity with community integration and a receiver operating curve analysis was conducted to establish scores' sensitivity and specificity. Youden's Index was used to determine an optimal UPSA‐2‐PT cutoff score.ResultsFindings show an excellent inter‐rater reliability, good internal consistency and construct validity, consistent with previous studies in Western countries. The UPSA‐2‐PT also showed a good discriminant ability between patients and controls, and an overall percentage of correct classification of 86.7% based on the 81.59 cutoff.DiscussionFindings are congruous with previous versions, strengthening the body of evidence supporting the construct validity and providing a useful tool for research and clinical purposes to practitioners.
Nitrates Do Not Affect Bone Density or Bone Turnover in Postmenopausal Women: A Randomized Controlled Trial
Authors: Bolland Mark J , House Meaghan E , Horne Anne M , Pinel Veronica , Gamble Greg D , Grey Andrew , Reid Ian R 
Published: May 2020

ABSTRACT
Organic nitrates have been reported to have significant effects on bone mineral density (BMD) and bone turnover in previous clinical trials. However, results are inconsistent and some trials with strikingly positive results have been retracted because of scientific misconduct. As preparation for a potential fracture prevention study, we set out to determine the lowest effective dose and the most effective and acceptable nitrate preparation. We undertook a 1-year, double-blind, randomized, placebo-controlled trial of three different nitrate preparations and two different doses in osteopenic postmenopausal women, with a planned 1-year observational extension. The primary endpoint was change in BMD at the lumbar spine, and secondary endpoints included BMD changes at other sites, changes in bone turnover markers, and adverse events. A total of 240 eligible women who tolerated low-dose oral nitrate treatment in a 2-week run-in period were randomized to five different treatment groups or placebo. Over 12 months, there were no statistically significant between-group differences in changes in BMD at any site and no consistent differences in bone turnover markers. When the active treatment groups were pooled, there were also no differences in changes in BMD or bone turnover markers between nitrate treatment and placebo. Eighty-eight (27%) women withdrew during the run-in phase, with the majority because of nitrate-induced headache, and 41 of 200 (21%) women randomized to nitrate treatment withdrew or stopped study medication during the 1-year study compared with 1 of 40 (2.5%) in the placebo group. In summary, organic nitrates do not have clinically relevant effects on BMD or bone turnover in postmenopausal women and were poorly tolerated. These results call into question the validity of previous clinical research reporting large positive effects of nitrates on BMD and bone turnover. © 2020 American Society for Bone and Mineral Research.
Strain and strain rate echocardiography variables in adult Wilson's disease patients: A speckle tracking echocardiography study
Authors: EFE Süleyman Cagan , Gurbuz Ahmet Seyfettin , Ozturk Semi , Demir Kadir 
Published: May 2020

AbstractPurposeAlthough the hepatic and neurological consequences of Wilson's disease (WD) have been investigated in detail, its cardiac involvement remains little studied. Our aim was to investigate potential cardiac differences in strain (ST) and strain rate (STR) echocardiography in adult WD patients compared with controls.MethodsWe included 30 patients with WD and a control group of 26 sex and age matched healthy adults. None of the subjects in either group had cardiac complaint. WD patients were clinically evaluated by a neurologist and undergone cranial magnetic resonance imaging. They were then divided into two groups according to the presence (NW) or absence (non‐NW) of neurological involvement. Standard and advanced speckle tracking echocardiographic evaluations were performed in each group according to guidelines.ResultsLeft ventricular (LV) systolic and diastolic diameters and wall thickness measurements were within normal limits and did not differ significantly between the groups (P > .05). Neither atrial peak longitudinal and circumferential ST variables nor LV global and longitudinal ST and STR variables showed significant differences between the NW, the non‐NW, and the control group (P > .05).ConclusionOur echocardiographic study showed no detectable difference between adult WD patients with or without neurological involvement and healthy subjects.
One‐potCuAAC synthesis of (1H‐1,2,3‐triazol‐1‐yl)methyl‐1,3,4/1,2,4‐oxadiazoles starting from available chloromethyl‐1,3,4/1,2,4‐oxadiazoles
Authors: Pokhodylo Nazariy T. , Savka Roman D. , Shyyka Olga Ya. , Obushak Mykola D. 
Published: May 2020

AbstractThe one‐pot CuAAC synthesis of (1H‐1,2,3‐triazol‐1‐yl)methyl‐1,3,4‐oxadiazole and (1H‐1,2,3‐triazol‐1‐yl)methyl‐1,2,4‐oxadiazole derivatives via three‐component reaction of consequent nucleophilic substitution of chlorine, with azide, and its further “click” reaction, with alkynes, in the presence of CuI was studied. The utility of newly synthesized 2‐(azidomethyl)‐1,3,4/1,2,4‐oxadiazoles and chloromethyl‐1,3,4/1,2,4‐oxadiazole derivatives was explored, and their limitations were determined. Novel 5‐([4‐aryl‐1H‐1,2,3‐triazol‐1‐yl]methyl)‐3‐(aryl)‐1,2,4‐oxadiazoles, 2‐([4‐aryl‐1H‐1,2,3‐triazol‐1‐yl]methyl)‐5‐(aryl)‐1,3,4‐oxadiazoles were obtained in good yields.
Dehydration‐fragmentation mechanism of cathinones and their metabolites in ESI‐CID
Authors: Matsuta Shuntaro , Shima Noriaki , Kakehashi Hidenao , Ishikawa Akari , Asai Ryutaro , Nitta Atsushi , Wada Misato , Nakano Shihoko , Kamata Hiroe , Nishiyama Yoshio , Nagatani Hirohisa , Imura Hisanori , Katagi Munehiro 
Published: May 2020

AbstractVarious cathinone‐derived designer drugs (CATs) have recently appeared on the drug market. This study examined the mechanism for the generation of dehydrated ions for CATs during electrospray ionization collision‐induced dissociation (ESI‐CID). The generation mechanism of dehydrated ions is dependent on the amine classification in the cathinone skeleton, which is used in the identification of CATs. The two hydrogen atoms eliminated during the dehydration of cathinone (primary amine) and methcathinone (secondary amine) were determined, and the reaction mechanism was elucidated through the deuterium labeling experiments. The hydrogen atom bonded to the amine nitrogen was eliminated with the proton added during ESI, in both of the tested compounds. This provided evidence that CATs with tertiary amine structures (such as dimethylcathinone and α‐pyrrolidinophenones [α‐PPs]) do not undergo dehydration. However, it was shown that the two major tertiary amine metabolites (1‐OH and 2″‐oxo) of CATs generate dehydrated ions in ESI‐CID. The dehydration mechanisms of the metabolites of α‐pyrrolidinobutiophenone (α‐PBP) belongs to α‐PPs were also investigated. Stable‐isotope labeling showed the dehydration of the 1‐OH metabolite following a simple mechanism where the hydroxy group was eliminated together with the proton added during ESI. In contrast, the dehydration mechanism of the 2″‐oxo metabolite involved hydrogen atoms in three or more locations along with the carbonyl group oxygen, indicating that dehydration occurred via multiple mechanisms likely including the rearrangement reaction of hydrogen atoms. These findings presented herein indicate that the dehydrated ions in ESI‐CID can be used for the structural identification of CATs.
Optical phonon modes in 1:2 ordered trigonal Ba3MgNb2O9 perovskite: Synergy of both classical and quantum methods
Authors: Ferrer Mateus M. , Sambrano Julio R. , Hernandes Antonio C. , Rodrigues João E. F. S. 
Published: May 2020

AbstractBa3MgNb2O9 is a double perovskite niobate with a trigonal structure with space group D3d3. Such a niobium‐based compound has a great potential for applications as microwave dielectrics in the telecommunication industry. In this work, we report the lattice dynamics calculation results using a Short‐Range Force Field Model and Density Functional Theory to represent the optical phonon modes at Γ‐point of the Brillouin zone. The classical method uses the nearest neighbor interactions through the interatomic force constants to describe the local order for Raman and infrared spectra. At the same time, density functional theory methods took into account two functionals (PBE and B3LYP) in order to provide the optical modes through second derivatives of the total energy. In both methods, theoretical optical modes are in good agreement with reported experimental data. The combination of both classical and quantum theoretical methods provided basis for a systematic discussion on the origin of the optical modes including the prediction of the dielectric tensor. We believe that this work presents useful information about the structural and vibrational characterization of Ba3MgNb2O9 perovskite and possible targeting for its application as microwave dielectrics for the communication technology.