bluuebunny/crossref_metadata_2025 huggingface dataset:
Asymmetric organocatalytic vinylogous Michael addition triggered triple-cascade reactions of 2-hydroxycinnamaldehydes and vinylogous nucleophiles: construction of benzofused oxabicyclo[3.3.1]nonane scaffolds
Authors: Wu Hui-Chun , Wang Chen , Chen Ying-Han , Liu Yan-Kai
Published: January 2021

An organocatalytic vinylogous Michael addition triggered triple-cascade reaction of 2-hydroxycinnamaldehydes and α,α-dicyanoalkenes was reported, yielding benzofused oxabicyclo[3.3.1]nonanes with excellent stereoselectivities.
Genetically encoding ε-N-benzoyllysine in proteins
Authors: Ji Yanli , Ren Conghui , Miao Hui , Pang Zhili , Xiao Ruotong , Yang Xiaochen , Xuan Weimin
Published: January 2021

Genetically encoding BzK can facilitate the biological investigation of the recently discovered protein PTM lysine ε-N-benzoylation.
Direct C–H alkoxylation of BODIPY dyes via cation radical accelerated oxidative nucleophilic hydrogen substitution: a new route to building blocks for functionalized BODIPYs
Authors: Li Heng , Lv Fan , Guo Xing , Wu Qinghua , Wu Hao , Tang Bing , Yu Changjiang , Wang Hua , Jiao Lijuan , Hao Erhong
Published: January 2021

A convenient C–H alkoxylation reaction between BODIPY dyes and a variety of alcohols was developed via a cation radical accelerated oxidative nucleophilic hydrogen substitution.
Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)–organic framework
Authors: Zhu Jin-Long , Zhu Peizhi , Chen Hai-Tao , Yan Min , Zhang Kou-Lin
Published: January 2021

The distinct solvent-dependent fluorescence sensing behavior of an extremely rare Cu(ii) MOF, showing the fluorescent “turn-off” sensing of Fe3+ and HCO3− in DMF and “turn-on” sensing of Al3+ in water.
Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions
Authors: Moon Heehun , Lim Sang Woo , Kim Dongwon , Jung Ok-Sang , Lee Young-A
Published: January 2021

Anion exchanges of metallacyclodimeric nitrate to polyatomic anions crystallize in situ, resulting in a systematic supramolecular isomerism to 1D coordination polymers in mother liquor.
Predicting the aptamer SYL3C–EpCAM complex's structure with the Martini-based simulation protocol
Authors: Shang Xu , Guan Zhen , Zhang Shuai , Shi Lulin , You Haihang
Published: January 2021

The Martini-based aptamer–protein complex structure prediction protocol includes two major stages: (a) aptamer structure's 3D modeling and prediction and (b) the aptamer–protein complex structure prediction. We performed a MetaD simulation with an enhanced Martini model to predict the aptamer–protein complex structure.
Endo- and exohedral chloro-fulleride as η5 ligands: a DFT study on the first-row transition metal complexes
Authors: Anila Sebastian , Suresh Cherumuttathu H.
Published: January 2021

Bulky anionic chloro-fulleride as a strong organometallic ligand in design strategies for new organometallic catalysts.
Redox-couple investigations in Si-doped Li-rich cathode materials
Authors: Nation Leah , Wu Yan , Liu Xiaoming , Chi Miaofang , Wu Yuqin , Qi Yue , Sheldon Brian W.
Published: January 2021

Si doping improves the electrochemical behavior of Li-rich cathodes during the activation cycle by changing the operative redox couples.
Halogen molecular modifications at high pressure: the case of iodine
Authors: Shi Jingming , Fonda Emiliano , Botti Silvana , Marques Miguel A. L. , Shinmei Toru , Irifune Tetsuo , Flank Anne-Marie , Lagarde Pierre , Polian Alain , Itié Jean-Paul , San-Miguel Alfonso
Published: January 2021

Using X-ray absorption spectroscopy and atomistic modeling, we demonstrate that in halogens, the formation of a connected molecular structure takes place at pressures well below metallization.
OH radical reactions with the hydrophilic component of sphingolipids
Authors: Lisovskaya Alexandra , Shadyro Oleg , Schiemann Olav , Carmichael Ian
Published: January 2021

We probe OH radical interactions with sphingolipid head-group models by EPR spectroscopy and pulse radiolysis.
Conformational sampling and large amplitude motion of methyl valerate
Authors: Nguyen Ha Vinh Lam , Andresen Maike , Stahl Wolfgang
Published: January 2021

Θ-Problem: the interplay of microwave spectroscopy and quantum chemistry to explore the soft degree of freedom around a carbonyl bond and methyl internal rotation.
Catalytic CO2esterification with ethanol for the production of diethyl carbonate using optimized CeO2as catalyst
Authors: Buchmann Marco , Lucas Martin , Rose Marcus
Published: January 2021

The direct conversion of (bio)ethanol and CO2is a promising route to diethyl carbonate (DEC) using CeO2from optimized catalyst synthesis procedure and cheap reactants originating from renewable resources in bioethanol production.
Insight into the mechanism of boron-doping of carbon aerogel for enhancing the activity of low-temperature selective catalytic reduction of NO with NH3
Authors: Yang Minghe , Wang He , Jin Shuangling , Zhang Rui , Wang Yan , Huo Wanying , Wang Xiaorui , Jin Minglin , Qiao Wenming , Ling Licheng
Published: January 2021

Boron doped carbon aerogel could increase the number of active sites effectively and enhance NO reduction to N2viaNH3-SCR.
Recognition, mechanistic investigation and applications for the detection of biorelevant Cu2+/Fe2+/Fe3+ions by ruthenium(ii)-polypyridyl based fluorescent sensors
Authors: Kumar Sushil , Singh Siddhant , Kumar Arun , Kumar Pramod
Published: January 2021

Selective recognition of biorelevant Cu2+and Fe2+/Fe3+ions using fluorescent Ru(ii)-polypyridyl based sensorsviaboth “turn-on” and “turn-off” emissive response is the main focus of present article.
Covalency in AnCl3 (An = Th–No)
Authors: Cooper Sophie , Kaltsoyannis Nikolas
Published: January 2021

A range of electron density topology- and orbital-based metrics finds evidence for energy degeneracy-driven covalency in the later 5f series.
Atomic-level insight into reasonable design of metal-based catalysts for hydrogen oxidation in alkaline electrolytes
Authors: An Lulu , Zhao Xu , Zhao Tonghui , Wang Deli
Published: January 2021

Systematic understanding of the crucial roles of the atomic coordination, stacking and arrangement of metal-based electrocatalysts in the alkaline HOR process is provided.
Berbamine induced activation of the SIRT1/LKB1/AMPK signaling axis attenuates the development of hepatic steatosis in high-fat diet-induced NAFLD rats
Authors: Sharma Ankita , Anand Sumit Kr , Singh Neha , Dwarkanath Akshay , Dwivedi Upendra Nath , Kakkar Poonam
Published: January 2021

Non-alcoholic fatty liver disease (NAFLD), a chronic metabolic disorder is concomitant with oxidative stress and inflammation.
Pectin limits epithelial barrier disruption by Citrobacter rodentium through anti-microbial effects
Authors: Beukema M. , Ishisono K. , de Waard J. , Faas M. M. , de Vos P. , Kitaguchi K.
Published: January 2021

Pectins inhibit the growth of C. rodentium in vitro, preventing attachment of C. rodentium to CMT93 epithelial cells. Through these antimicrobial effects, pectins protect the epithelium from C. rodentium-induced barrier dysfunction and damage.
Understanding lignin micro- and nanoparticle nucleation and growth in aqueous suspensions by solvent fractionation
Authors: Zwilling Jacob D. , Jiang Xiao , Zambrano Franklin , Venditti Richard A. , Jameel Hasan , Velev Orlin D. , Rojas Orlando J. , Gonzalez Ronalds
Published: January 2021

Interactions of sub-micron lignin particles dependent on precursor kraft lignin chemistry and molecular weight.
Determination of boron in aqueous solution using a method combining laser ablation molecular isotopic spectrometry with molecular laser-induced fluorescence and isotopic dilution
Authors: Liu Kun , Zhou Ran , Zhang Wen , Tang Zhiyang , Li Qingzhou , Zhu Chenwei , He Chao , Li Xiangyou , Zeng Xiaoyan
Published: January 2021

Laser-induced breakdown spectroscopy (LIBS) has been applied in quantitative and isotopic detection of boron.
Single nanoparticle analysis for homogeneous immunoassay of CA19-9 for serological evaluation
Authors: Jiang Min , Huang Zili , Zhao Xin , Liu Rui , Lv Yi
Published: January 2021

A rapid one-step immunoassay based on 197Au tagging is proposed in this paper for the evaluation of CA19-9 in serum.
Pulsed chemical vapor deposition of conformal GeSe for application as an OTS selector
Authors: Haider Ali , Deng Shaoren , Devulder Wouter , Maes Jan Willem , Girard Jean-Marc , Khalil El Hajjam Gabriel , Kar Gouri Sankar , Opsomer Karl , Detavernier Christophe , Givens Michael , Goux Ludovic , Van Elshocht Sven , Delhougne Romain , Delabie Annelies , Caymax Matty , Swerts Johan
Published: January 2021

Pulsed CVD can be utilized to deposit GeSe in a highly conformal fashion.
Pharmacokinetics and pharmacodynamics in the treatment of cutaneous leishmaniasis – challenges and opportunities
Authors: Van Bocxlaer Katrien , Croft Simon L.
Published: January 2021

Important pharmacokinetic and -dynamic parameters for the drug discovery and development of new treatments for cutaneous leishmaniasis.
In silico strategy for isoform-selective 5-HT2AR and 5-HT2CR inhibitors
Authors: Geng Xiaohui , Wang Ying , Wang Huibin , Hu Baichun , Huang Junhao , Wu Yiheng , Wang Jian , Zhang Fengjiao
Published: January 2021

5-HT2AR and 5-HT2CR are widely expressed throughout the brain and have been drawing significant clinical interest due to their involvement in mediating mental disorders.
Influence of the NiII/MnII ratio on the physical properties of heterometallic Ni2xMn(2−2x)P2S6 phases and potassium intercalates K0.8Ni2xMn(1.6−2x)P2S6·2H2O
Authors: Cortés Catalina , Fuentealba Pablo , Manzur Jorge , Pérez-Obando Juliana , Aliaga Carolina , Audebrand Nathalie , Aguilar-Bolados Hector , Spodine Evgenia
Published: January 2021

Physical properties of bimetallic NiII/MnII phases obtained by microwave assisted reaction.
Pterocladiella capillacea-stabilized silver nanoparticles as a green approach toward antibacterial biomaterials
Authors: Cavalli Pedro A. , Wanderlind Eduardo H. , Hemmer Johann V. , Gerlach Otto M. S. , Emmerich Andressa K. , Bella-Cruz Alexandre , Tamanaha Márcio , Almerindo Gizelle I.
Published: January 2021

Eco-friendly synthesis of AgNPs usingP. capillaceaextracts for antibacterial materials.
A large scaled-up monocrystalline 3R MoS2 electrocatalyst for efficient nitrogen reduction reactions
Authors: Fang Bin , Yao Junjie , Zhang Xiaojun , Ma Liang , Ye Yaqi , Tang Jiayi , Zou Guifu , Zhang Junchang , Jiang Lin , Sun Yinghui
Published: January 2021

Large-scale 3R MoS2 was shown to be an efficient electrocatalyst for the NRR, and the NRR performance can be enhanced via improving the crystallinity of MoS2 due to decreased resistance.
Adsorption mechanism of NH3, NO, and O2 molecules over the FexOy/AC catalyst surface: a DFT-D3 study
Authors: Xie Chaoyue , Sun Yunlan , Zhu Baozhong , Song Weiyi , Xu Minggao
Published: January 2021

The surface model of the FexOy/AC catalyst was constructed and the adsorption mechanism of gas molecules on its surface was revealed.
Tunable interfacial Dzyaloshinskii–Moriya interaction in symmetrical Au/[Fe/Au]n multilayers
Authors: Zhang W. , Chen R. , Jiang B. , Zhao X. , Zhao W. , Yan S. S. , Han G. , Yu S. , Liu G. , Kang S.
Published: January 2021

The interfacial Dzyaloshinskii–Moriya interaction (i-DMI) has been exploited in as-made symmetrical Au/[Fe/Au]n structures.
A facile synthesis of Cu catalysts with multiple high-index facets for the suppression of competing H2 evolution during electrocatalytic CO2 reduction
Authors: Philip Monday , Woldu Abebe Reda , Akbar Muhammad Bilal , Louis Hitler , Cong Huang
Published: January 2021

The formation of high-index facets were realized via the electropolishing process before and after annealing at different temperatures and exhibited the suppression of H2 evolution and C1 products during the electrochemical CO2 reduction.
The simultaneous adsorption, activation and in situ reduction of carbon dioxide over Au-loading BiOCl with rich oxygen vacancies
Authors: Li Yi-lei , Liu Ying , Mu Hui-ying , Liu Rui-hong , Hao Ying-juan , Wang Xiao-jing , Hildebrandt Diane , Liu Xinying , Li Fa-tang
Published: January 2021

By means of oxygen vacancies (OV) and spontaneous chemical redox approach, Au–BiOCl-OV with enhanced interfacial interaction is fabricated for in-situ reduction of CO2 through simultaneously adsorption and activation on OV sites.
Tricycloquinazoline-containing 3D conjugated microporous polymers and 2D covalent quinazoline networks: microstructure and conductivity
Authors: Wang Wenbo , Zhang Yantao , Chen Lifang , Chen Huan , Hu Shuozhen , Li Qing , Liu Haining , Qiao Shanlin
Published: January 2021

The isomers of 3D TQ-CMP and 2D TQ-CQN was made toward the applications of gas adsorption and hydrogen evolution reaction, which clarified the interrelation between microstructure and conductivity for structural design and functional exploration.
Visible light-regulated organocatalytic ring-opening polymerization of lactones by harnessing excited state acidity
Authors: Zhang Xun , Ma Qiang , Jiang Yu , Hu Siping , Li Junfang , Liao Saihu
Published: January 2021

A metal-free ring-opening polymerization of lactones has been developed using PyOH as a photocatalyst under visible light mediation.
Bismuth-based Z-scheme photocatalytic systems for solar energy conversion
Authors: Guo Lina , Huang Hongwei , Mei Lefu , Li Min , Zhang Yihe
Published: January 2021

Charge transfer mechanism and application of Z-scheme photocatalysis.
Recent advances in cascade radical cyclization of radical acceptors for the synthesis of carbo- and heterocycles
Authors: Liao Jianhua , Yang Xiao , Ouyang Lu , Lai Yinlong , Huang Jiuzhong , Luo Renshi
Published: January 2021

This review is devoted to highlighting main achievements in the development of cascade radical cyclization of radical acceptors for the synthesis of carbo- and heterocycles.
Quantitative proteomics approach to investigate the antibacterial response of Helicobacter pylori to daphnetin, a traditional Chinese medicine monomer
Authors: Lu Yun , Pang Jing , Wang Genzhu , Hu Xinxin , Li Xue , Li Guoqing , Wang Xiukun , Yang Xinyi , Li Congran , You Xuefu
Published: January 2021

The expression level of proteins related to metabolism, membrane structure, colonization and infection, etc. significantly changed under daphnetin pressure.
Enhanced performance and degradation of wastewater in microbial fuel cells using titanium dioxide nanowire photocathodes
Authors: Ma Jingying , Chen Donghui , Zhang Wenwen , An Zhihao , Zeng Ke , Yuan Ming , Shen Jia
Published: January 2021

Active Red 30 was effectively removed in the cathode chamber of the microbial fuel cell.
The effect of relative humidity on CaCl2 nanoparticles studied by soft X-ray absorption spectroscopy
Authors: Abid Abdul Rahman , Mailhiot Maximilian , Boudjemia Nacer , Pelimanni Eetu , Milosavljević Aleksandar R. , Saak Clara-Magdalena , Huttula Marko , Björneholm Olle , Patanen Minna
Published: January 2021

Hydration state and surface composition of free-flying nanoparticles originating from aerosolized solutions of CaCl2 and CaCl2 and Phenylalanine are probed using X-ray absorption spectroscopy.
Fused sphere carbon monoliths with honeycomb-like porosity from cellulose nanofibers for oil and water separation
Authors: Ferry Mark Adam , Maruyama Jun , Asoh Taka-Aki , Uyama Hiroshi
Published: January 2021

Carbon monoliths with a unique hierarchical surface structure from carbonized cellulose nanofibers were synthesized in pursuit of developing carbon materials from sustainable natural resources.
The synthesis and characterization of the octahedral CoIII complex of a pyrrolopyrrolizine derivative formed with dicyanovinylene-bis-(meso-aryl)dipyrrin
Authors: Shin Ji-Young
Published: January 2021

A low spin state, diamagnetic, and hexa-coordinating CoIII complex of two pyrrolopyrrolizine ligands was synthesized by thermally treating the toluene solution of dicyanovinylene-bis(meso-aryl)dipyrrin and CoCl2.
Hydrogen production by electrochemical reaction using ethylene glycol with terephthalic acid
Authors: Kim Se-Hyun , Woo Sang-Won , Kim Chan-Soo , Lee Sung-Eun , Kim Tae-Oh
Published: January 2021

Hydrogen production by electrolysis reaction of ethylene glycol and terephthalic acid in alkaline solution. When ethylene glycol and terephthalic acid were added to water together, more hydrogen was produced.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Authors: Tsoureas Nikolaos , Mansikkamäki Akseli , Layfield Richard A.
Published: January 2021

The synthesis, structure and bonding in a series of hybrid uranocenes consisting of cyclobutadienyl and cyclo-octatetraenyl ligands is described.
Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland–Claisen rearrangement
Authors: Kleinmans Roman , Will Leon E. , Schwarz J. Luca , Glorius Frank
Published: January 2021

A photocatalytic 1,2-dialkylation of α-substituted acrylates is enabled by a reaction cascade combining reductive radical-polar crossover with the established Ireland–Claisen rearrangement for the synthesis of valuable tertiary carboxylic acids.
Correction: Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)
Authors: Curcio Davide , Sierda Emil , Pozzo Monica , Bignardi Luca , Sbuelz Luca , Lacovig Paolo , Lizzit Silvano , Alfè Dario , Baraldi Alessandro
Published: January 2021

Correction for ‘Unusual reversibility in molecular break-up of PAHs: the case of pentacene dehydrogenation on Ir(111)’ by Davide Curcio et al., Chem. Sci., 2021, DOI: 10.1039/d0sc03734f.
Crystal size-controlled growth of bismuth vanadate for highly efficient solar water oxidation
Authors: Qin Qi , Cai Qian , Jian Chuanyong , Liu Wei
Published: January 2021

An innovative method is used to synthesize highly active and bulky BiVO4 with abundant oxygen vacancies for solar water oxidation. The crystal size and oxygen vacancies of BiVO4 can be controlled by adjusting the pH value of the Bi precursor.
Sliding dynamics of multi-rings on a semiflexible polymer in poly[n]catenanes
Authors: Li Ke , Wang Yaxin , Guo Fuchen , He Linli , Zhang Linxi
Published: January 2021

The sliding dynamics of one- or multi-ring stuctures along a semiflexible cyclic polymer in radial poly[n]catenanes is investigated using molecular dynamics simulations.
A novel multifunctional polymer ionic liquid as an additive in iodide electrolyte combined with silver mirror coating counter electrodes for quasi-solid-state dye-sensitized solar cells
Authors: Lin Fang-Sian , Sakthivel Mani , Fan Miao-Syuan , Lin Jiang-Jen , Jeng Ru-Jong , Ho Kuo-Chuan
Published: January 2021

A novel multifunctional polymer ionic liquid poly(oxyethylene)-imide-2,2,6,6-tetramethyl-1-piperidinyloxy (POEI-TEMPO) was successfully prepared and used as an additive in iodide electrolyte in quasi-solid-state dye-sensitized solar cells (QSS-DSSCs).
Anisotropic ionic transport-controlled synaptic weight update by protonation in a VO2 transistor
Authors: Park Jaeseoung , Oh Chadol , Son Junwoo
Published: January 2021

The control of field-driven ionic redistribution guided by crystal anisotropy increases the retention of H+s in VO2 lattices by locating H+ into the deep regions from the interfaces, and thus strengthens long-term memory in artificial synaptic devices.
Enhanced mechanically induced red-light emitting novel mechanoluminescence materials for ultrasonic visualization and monitoring applications
Authors: Fan Yu-Ting , Yang Yun-Ling , Li Ting , Yuan Jia-Yong , Li Qian-Li , Zhao Jing-Tai , Wan Dong-Yun , Zhang Zhi-Jun
Published: January 2021

When Ca2+ is substituted with Sr2+, the optical band gap of (Ca, Sr)ZnOS:Mn2+ becomes narrower and the trap depths becomes deeper, which leads to ML enhanced. The monitoring of ultrasonic intensity was achieved by using this ML material.
The highly selective synthesis of 5-methyl vanillin from the by-product in vanilla industry and the scent influence for vanillin
Authors: Mao Haifang , Wang Hongzhao , Tang Ting , Shi Qixuan , Yu Haiyan , Hu Xiaojun , Xiao Zuobing , Zhang Pingyi , Liu Jibo
Published: January 2021

Herein, with the aim of comprehensive utilization of a useless by-product, a highly selective method was proposed for the production of 5-methyl vanillin by employing o-vanillin, a useless by-product in the vanillin industry, as a raw material.
Effects of Using Mixed Reality With Coaching on the Interprofessional Communication Skills of Speech-Language Pathology Graduate Students
Authors: Towson Jacqueline A. , Taylor Matthew S. , Abarca Diana L. , Paul Claire Donehower , Ezekiel-Wilder Faith
Published: January 2021

Purpose

Communication between allied health professionals, teachers, and family members is a critical skill when addressing and providing for the individual needs of patients. Graduate students in speech-language pathology programs often have limited opportunities to practice these skills prior to or during externship placements. The purpose of this study was to research a mixed reality simulator as a viable option for speech-language pathology graduate students to practice interprofessional communication (IPC) skills delivering diagnostic information to different stakeholders compared to traditional role-play scenarios.

Method

Eighty graduate students (
N
= 80) completing their third semester in one speech-language pathology program were randomly assigned to one of four conditions: mixed-reality simulation with and without coaching or role play with and without coaching. Data were collected on students' self-efficacy, IPC skills pre- and postintervention, and perceptions of the intervention.

Results

The students in the two coaching groups scored significantly higher than the students in the noncoaching groups on observed IPC skills. There were no significant differences in students' self-efficacy. Students' responses on social validity measures showed both interventions, including coaching, were acceptable and feasible.

Conclusions

Findings indicated that coaching paired with either mixed-reality simulation or role play are viable methods to target improvement of IPC skills for graduate students in speech-language pathology. These findings are particularly relevant given the recent approval for students to obtain clinical hours in simulated environments.
Pragmatic Language and Social Communication Tests for Students Aged 8–18 Years: A Review of Test Accuracy
Authors: Timler Geralyn R. , Covey Megan Alano
Published: January 2021

Purpose

The accuracy of commercially available pragmatic language and social communication tests was reviewed.

Method

Online sources were searched to identify tests providing stand-alone pragmatic or social communication scores. Test manuals were examined to extract information about clinical and typically developing group comparisons, including sample size, inclusionary/exclusionary criteria, and mean group differences. Classification accuracy metrics, including sensitivity, specificity, optimal cut scores, and likelihood ratios, were reviewed.

Results

Six domain-specific pragmatic language and social communication tests and four omnibus language tests were identified. Test content varied and included video and audio recordings and question-and-answer formats to address hypothetical social vignettes, retell and comprehend narratives, interpret nonliteral language and multiple-meaning words, identify and display emotions, and infer another's perspective. Sample size and inclusionary/exclusionary criteria for comparisons of students with typical development (TD), developmental language disorder (DLD), autism spectrum disorder (ASD), and social (pragmatic) communication disorder (SPCD) varied widely. Mean group differences between TD and ASD or SPCD groups were generally larger (i.e., > 0.5
SD
to > 2.0
SD
s) than TD and DLD comparisons. Test authors interpreted these results as support for the accuracy of tests to identify deficits associated with ASD and SPCD and not DLD. Classification accuracy was reported for five domain-specific tests. Optimal cut scores ranged from 85 to 92, with adequate sensitivity and specificity (i.e., ≥ 80%); however, positive likelihood ratios and associated confidence intervals revealed limited confidence in reported levels.

Conclusions

Inadequate sample description for comparison and classification studies limit a clinician's ability to compare a student's profile with those in the samples. Although none of the tests meet all standards for test accuracy reviewed in this report, a checklist to guide test selection is provided to assist in identifying the best available test for a student's profile, if a test is needed.
New precise positions in 2013–2019 and a catalog of ground-based astrometric observations of 11 Neptunian satellites (1847–2019) based on Gaia-DR2
Authors: Yuan Ye , Li Fan , Fu Yanning , Ren Shulin
Published: January 2021

Context. Developing high-precision ephemerides for Neptunian satellites requires not only the continuation of observing campaigns but also the collection and improvement of existing observations. So far, no complete catalogs of observations of Neptunian satellites are available.

Aims. We aim to provide new, precise positions, and to compile a catalog including all available ground-based astrometric observations of Neptunian satellites. The observations are tabulated in a single and consistent format and given in the same timescale, the Terrestrial Time (TT), and reference system, the International Celestial Reference System (ICRS), including necessary changes and corrections.

Methods. New CCD observations of Triton and Nereid were made at Lijiang 2.4-m and Yaoan 0.8-m telescopes in 2013–2019, and then reduced based on Gaia-DR2. Furthermore, a catalog called OCNS2019 (Observational Catalog of Neptunian Satellites (2019 version)) was compiled, after recognizing and correcting errors and omissions. Furthermore, in addition to what was considered for the COSS08 catalog for eight main Saturnian satellites, all observed absolute and relative coordinates were converted to the ICRS with corrections for star catalog biases with respect to Gaia-DR2. New debiasing tables for both the modern and old star catalogs, which were previously not provided based on Gaia-DR2, are developed and applied. Treatment of missing positions of comparison bodies in conversions of observed relative coordinates are proposed.

Results. OCNS2019 and the new debiasing tables are publicly available online. OCNS2019 includes 24996 observed coordinates of 11 Neptunian satellites obtained over 3741 nights from 1847 to 2019. All observations are given in TT and ICRS. The star catalog biases are removed, which are significant for Nereid and outer satellites. We obtained 880 (5% of total now available) new coordinates for Triton over 41 nights (1% of total observation nights so far), and 790 (14%) for Nereid over 47 nights (10%). The dispersions of these new positions are about 0.″03 for Triton and 0.″06 for Nereid.

Conclusions. OCNS2019 should be useful in improving ephemerides for the above-mentioned objects.
The interstellar medium of quiescent galaxies and its evolution with time
Authors: Magdis Georgios E. , Gobat Raphael , Valentino Francesco , Daddi Emanuele , Zanella Anita , Kokorev Vasily , Toft Sune , Jin Shuowen , Whitaker Katherine E.
Published: January 2021

We characterise the basic far-IR properties and the gas mass fraction of massive (⟨log(M*/M⊙)⟩ ≈ 11.0) quiescent galaxies (QGs) and explore how these evolve fromz = 2.0 to the present day. We use robust, multi-wavelength (mid- to far-IR and sub-millimetre to radio) stacking ensembles of homogeneously selected and mass complete samples of log(M*/M⊙)≳10.8 QGs. We find that the dust to stellar mass ratio (Mdust/M*) rises steeply as a function of redshift up toz ∼ 1.0 and then remains flat at least out toz = 2.0. UsingMdustas a proxy of gas mass (Mgas), we find a similar trend for the evolution of the gas mass fraction (fgas), withz > 1.0 QGs havingfgas ≈ 7.0% (for solar metallicity). Thisfgasis three to ten times lower than that of normal star-forming galaxies (SFGs) at their corresponding redshift but ≳3 and ≳10 times larger compared to that ofz = 0.5 and local QGs. Furthermore, the inferred gas depletion time scales are comparable to those of local SFGs and systematically longer than those of main sequence galaxies at their corresponding redshifts. Our analysis also reveals that the average dust temperature (Td) of massive QGs remains roughly constant (⟨Td⟩ = 21.0 ± 2.0 K) at least out toz ≈ 2.0 and is substantially colder (ΔTd≈ 10 K) compared to that of SFGs. This motivated us to construct and release a redshift-invariant template IR SED, that we used to make predictions for ALMA observations and to explore systematic effects in theMgasestimates of massive, high-zQGs. Finally, we discuss how a simple model that considers progenitor bias can effectively reproduce the observed evolution ofMdust/M*andfgas. Our results indicate universal initial interstellar medium conditions for quenched galaxies and a large degree of uniformity in their internal processes across cosmic time.
The baryonic specific angular momentum of disc galaxies
Authors: Mancera Piña Pavel E. , Posti Lorenzo , Fraternali Filippo , Adams Elizabeth A. K. , Oosterloo Tom
Published: January 2021

Aims.Specific angular momentum (the angular momentum per unit mass,j = J/M) is one of the key parameters that control the evolution of galaxies, and it is closely related with the coupling between dark and visible matter. In this work, we aim to derive the baryonic (stars plus atomic gas) specific angular momentum of disc galaxies and study its relation with the dark matter specific angular momentum.

Methods.Using a combination of high-quality H Irotation curves, H Isurface densities, and near-infrared surface brightness profiles, we homogeneously measure the stellar (j*) and gas (jgas) specific angular momenta for a large sample of nearby disc galaxies. This allows us to determine the baryonic specific angular momentum (jbar) with high accuracy and across a very wide range of masses.

Results.We confirm that thej* − M*relation is an unbroken power-law from 7 ≲ log(M*/M⊙) ≲ 11.5, with a slope 0.54 ± 0.02, setting a stronger constraint at dwarf galaxy scales than previous determinations. Concerning the gas component, we find that thejgas − Mgasrelation is also an unbroken power-law from 6 ≲ log(Mgas/M⊙) ≲ 11, with a steeper slope of 1.02 ± 0.04. Regarding the baryonic relation, our data support a correlation characterized by a single power-law with a slope 0.60 ± 0.02. Our analysis shows that our most massive spirals and smallest dwarfs lie along the samejbar − Mbarsequence. While the relations are tight and unbroken, we find internal correlations inside them: At fixedM*, galaxies with largerj*have larger disc scale lengths, and at fixedMbar, gas-poor galaxies have lowerjbarthan expected. We estimate the retained fraction of baryonic specific angular momentum,fj, bar, finding it constant across our entire mass range with a value of ∼0.6, indicating that the baryonic specific angular momentum of present-day disc galaxies is comparable to the initial specific angular momentum of their dark matter haloes. In general, these results set important constraints for hydrodynamical simulations and semi-analytical models that aim to reproduce galaxies with realistic specific angular momenta.
Jet collimation in NGC 315 and other nearby AGN
Authors: Boccardi B. , Perucho M. , Casadio C. , Grandi P. , Macconi D. , Torresi E. , Pellegrini S. , Krichbaum T. P. , Kadler M. , Giovannini G. , Karamanavis V. , Ricci L. , Madika E. , Bach U. , Ros E. , Giroletti M. , Zensus J. A.
Published: January 2021

Aims. The collimation of relativistic jets in galaxies is a poorly understood process. Detailed radio studies of the jet collimation region have been performed so far in a few individual objects, providing important constraints for jet formation models. However, the extent of the collimation zone as well as the nature of the external medium possibly confining the jet are still debated.

Methods. In this article, we present a multifrequency and multiscale analysis of the radio galaxy NGC 315, including the use of mm-VLBI data up to 86 GHz, aimed at revealing the evolution of the jet collimation profile. We then consider results from the literature to compare the jet expansion profile in a sample of 27 low-redshift sources, mainly comprising radio galaxies and BL Lacs, which were classified based on the accretion properties as low-excitation (LEG) and high-excitation (HEG) galaxies.

Results. We propose that the jet collimation in NGC 315 is completed on sub-parsec scales. A transition from a parabolic to conical jet shape is detected at zt = 0.58 ± 0.28 parsecs or ∼5 × 103 Schwarzschild radii (RS) from the central engine, a distance which is much smaller than the Bondi radius, rB ∼ 92 pc, estimated based on X-ray data. The jet in this and in a few other LEG in our sample may be initially confined by a thick disk extending out to ∼103 − 104RS. A comparison between the mass-scaled jet expansion profiles of all sources indicates that jets in HEG are surrounded by thicker disk-launched sheaths and collimate on larger scales with respect to jets in LEG. These results suggest that disk winds play an important role in the jet collimation mechanism, particularly in high-luminosity sources. The impact of winds on the origin of the FRI and FRII dichotomy in radio galaxies is also discussed.
Bottlenecks to interstellar sulfur chemistry
Authors: Goicoechea J. R. , Aguado A. , Cuadrado S. , Roncero O. , Pety J. , Bron E. , Fuente A. , Riquelme D. , Chapillon E. , Herrera C. , Duran C. A.
Published: January 2021

Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood and their abundances often crudely constrained. Motivated by new observations of the Orion Bar photodissociation region (PDR) – 1″ resolution ALMA images of SH+; IRAM 30 m detections of bright H232S, H234S, and H233S lines; H3S+ (upper limits); and SOFIA/GREAT observations of SH (upper limits) – we perform a systematic study of the chemistry of sulfur-bearing hydrides. We self-consistently determine their column densities using coupled excitation, radiative transfer as well as chemical formation and destruction models. We revise some of the key gas-phase reactions that lead to their chemical synthesis. This includes ab initio quantum calculations of the vibrational-state-dependent reactions SH+ + H2(v) ⇄ H2S+ + H and S + H2 (v) ⇄ SH + H. We find that reactions of UV-pumped H2(v ≥ 2) molecules with S+ ions explain the presence of SH+ in a high thermal-pressure gas component, Pth∕k ≈ 108 cm−3 K, close to the H2 dissociation front (at AV < 2 mag). These PDR layers are characterized by no or very little depletion of elemental sulfur from the gas. However, subsequent hydrogen abstraction reactions of SH+, H2S+, and S atoms with vibrationally excited H2, fail to form enough H2S+, H3S+, and SH to ultimately explain the observed H2S column density (~2.5 × 1014 cm−2, with an ortho-to-para ratio of 2.9 ± 0.3; consistent with the high-temperature statistical value). To overcome these bottlenecks, we build PDR models that include a simple network of grain surface reactions leading to the formation of solid H2S (s-H2S). The higher adsorption binding energies of S and SH suggested by recent studies imply that S atoms adsorb on grains (and form s-H2S) at warmer dust temperatures (Td < 50 K) and closer to the UV-illuminated edges of molecular clouds. We show that everywhere s-H2S mantles form(ed), gas-phase H2S emission lines will be detectable. Photodesorption and, to a lesser extent, chemical desorption, produce roughly the same H2S column density (a few 1014 cm−2) and abundance peak (a few 10−8) nearly independently of nH and G0. This agrees with the observed H2S column density in the Orion Bar as well as at the edges of dark clouds without invoking substantial depletion of elemental sulfur abundances.
Flow Classification and Its Application to Fluid Processing
Authors: Nakayama Yasuya , Kajiwara Toshihisa
Published: January 2021

Mathematically, the problem of flow field classification can be analyzed by the eigenanalysis of the deformation-rate tensor; however, such analysis technique have not been commonly applied in fluid processing. We derive a simplified objective flow classification scheme based on the invariants of the strain-rate tensor and the vorticity tensor. Multiaxiality of flow, which is related to the type of elongation, and converging/bifurcating flow, is characterized by the strain-rate tensor, while rotation contribution that protects fluid element from stretching is characterized by the relative intensity of an objective vorticity to the strain-rate. The spatial distributions of flow classification quantities oﬀer an essential tool in understanding the flow pattern structure, and therefore can be useful to get insights into the connection between the geometry and the process performance.
Turbulence Modeling in Side-Entry Stirred Tank Mixing Time Determination
Authors: Madhania Suci , Fathonah Ni’am Nisbatul , Kusdianto  , Nurtono Tantular , Winardi Sugeng
Published: January 2021

Mixing is one of the critical processes in the industry. The stirred tank is one of the operating units commonly used in the mixing process. Several factors greatly influence the efficiency of the stirred tank, including the stirred-tank design, operating conditions, and working fluid properties. The side-entry stirred tank is widely applied in industry, among others; the processing of crude oil in the refinery industry, water-molasses mixing in the bioethanol industry, pulp stock chest in the pulp and paper industry, and anaerobic digester for biogas reactors. Mixing time is one of the critical parameters used in the design of the stirred tank. This research will model mixing time in a flat bottomed-cylindrical side-entry stirred tank with dimensions D = 40 cm and T = 40 cm using CFD ANSYS 18.2 by applying the Standard κ − ε (SKE) and Realizable κ − ε (RKE) turbulence models. The stirrer used is a three-blade marine propeller d = 4 cm which is an axial type impeller. The phenomenon of mixing in the side-entry stirred tank, qualitatively described through computational prediction results in the form of flow profiles and tracer density change contours locally. Moreover, quantitatively indicated by mixing time validated using experimental data carried out by the conductometry method. The computational prediction shows that the mixing time modeled using the SKE turbulence model shows a similarity level of 68.16%, while the RKE turbulence model shows 31.94%.
Preparation of Magnetorheological Fluid Using Stabilizing Additives
Authors: Kaide Aya , Kanda Makoto , Tochigi Hiroshi , Saeki Takashi
Published: January 2021

In this study, we examined three kinds of stabilizing additives to prepare stable MRF with good fluidity. We selected three stabilizing additives; a styrene isoprene block copolymer, a hydrophobic fumed silica, and an organogelator (CMOL SB03; PMDA-2C8/oleyl). We measured the rheological properties both for the dissolutions of the stabilizing additives in the base oil and MRFs prepared with the additives by using a rheometer; MCR302 (Anton Paar Corp.). From the experimental results, the viscosity of styrene isoprene block copolymer dissolution increased with concentration showing non-Newtonian properties. We selected a suitable concentration as 5wt% to satisfied good fluidity without forming gel. Since the viscosities of 7wt% fumed silica and 1wt% CMOL SB 03 dissolutions in the base oil consequently showed similar viscosity of the 5wt% copolymer, MRFs using such conditions were prepared. From the results of the stability test, the addition of the copolymer was effective to satisfy the stability of the MRF. We also found that the addition of such stabilizing additives were effective to increase the magnetic property of MRFs.
Study on Fixed Salt Removal Effect by Fine Bubbles
Authors: Mikasa Yuji , Yamawaki Naoya , Shida Hiroaki , Okumura Hayato , Akamatsu Shigenori , Nishiuchi Yusuke , Hata Takashi
Published: January 2021

In recent years, it has become clear that 1 μm or less sized fine air bubbles have different properties from those of mm or cm sized air bubbles. This study examined the effect of fine bubbles on the removal of salt fixed in the gap of aluminum plate as a verification of cleaning action by fine bubbles. As a result, it was confirmed that the removal effect of fixed salt is higher in fine bubble water than in control water, and that the degree of effect depends on the concentration of fine bubbles. It was also confirmed that less than 1 μm sized ultrafine bubble water has a higher removal effect than the control water. As a mechanism of removing fixed salt, it is conceivable that peeling effect, like lifting up part of fixed salt, in which fine bubbles are dissolved by pressure change around the fixed salt to become supersaturated, causing further bubbling around there, and/or physical collision effect of microbubbles. In addition, it was confirmed that the removal effect of a system in which fine bubbles were regularly introduced was much higher than the one that does not introduce fine bubbles regularly. In addition, even when the gap between fixed salt and aluminum plate was narrowed, the superiority of fine bubble cleaning was confirmed.
Langevin Dynamics Calculation of Brownian Coagulation Coefficient for Spherical Equal-size Aerosol Particles in Transient Regime
Authors: Fujimoto Toshiyuki , Yamanaka Shinya , Kuga Yoshikazu
Published: January 2021

Coagulation coefficient of aerosol particles due to Brownian motion is an important issue to describe change in particle size distribution. Motion of aerosol particles is diffusive in continuous region (small Knudsen number; Kn), or like free molecular motion of gaseous molecular in free molecular region (large Kn). Fuchs (1964) presented an expression of coagulation coefficient in transition regime by a so-called “Flux Matching” method. In his method, transportation of particles inside of the “limiting sphere” is assumed to be like free molecular, or diffusive outside of the sphere. These days, some researchers presented coagulation coefficient of aerosol particles by direct calculation of motion of aerosol particles. They employed Langevin dynamics equation to represent the stochastic motion of aerosol particles. In this study, we developed new model to calculate the coagulation coefficient. Our model employed spherical calculation space in which one scavenging particle is in the center of it: the calculation sphere moves together with the motion of the scavenging particle. The coagulation coefficient can be calculated from the mean time between collisions and the concentration of collision particles. By using the above numerical model, we have calculated the coagulation coefficient of spherical particles of from 4 nm to 100 nm in diameter.
Particle Impact Energy Variation with the Size and Number of Particles in a Planetary Ball Mill
Authors: Hirosawa Fumie , Iwasaki Tomohiro , Iwata Masashi
Published: January 2021

To investigate the mechanical energy applying to the particles in a grinding process using a planetary ball mill, the impact energy of particles was estimated by simulating the behavior of the particles and grinding balls using the discrete element method (DEM) under different conditions of the size and number of particles, corresponding to their variations during milling. As the impact energy contributing to the particle breakage, we focused on the particle impact energy generated at particle-to-grinding ball/wall and particle-to-particle collisions. The particle size and the number of particles affected the level of particle impact energy at a single collision and the number of collisions of particles, respectively, resulting in an increase of the total impact energy of particles with decreasing particle size and increasing number of particles. The result suggests that milling conditions such as the size of grinding balls should be adjusted appropriately based on the variation of the size and number of particles so that the particles can receive large amounts of the impact energy during milling.
Study on Mass Transfer Characteristics of Hydrate-based Gas Absorber
Authors: Takano Shun , Ezure Ryosuke , Takahashi Yusuke , Komatsu Hiroyuki , Yamagiwa Kazuaki , Tajima Hideo
Published: January 2021

Hydrated-based gas separation is a method capable of selectively separating and recovering greenhouse gases. Although a conventional hydrate-based gas separation apparatus is a batch or a semi-batch system, continuous operation is preferable to increase the throughput of gas without changing the apparatus volume. Recently, we proposed a flow type apparatus to allow continuous operation of hydrate formation (absorption) and subsequent decomposition (desorption). The aim of this study is to investigate the mass transfer characteristics of the continuous apparatus using the HFC134a-N2 mixed gas system. The volumetric mass transfer coefficient was calculated especially during a steady state of gas absorption. Besides, we compared mass transfer performance between the hydrate-based gas absorber and a conventional bubble column. Sodium dodecyl sulfate was used as a hydrate dispersant. In the flow type apparatus, the gas-liquid contact was good and the hydrate slurry state was observed during hydrate formation. In the surfactant solution, the volumetric mass transfer coefficient increased in comparison with that in water. The volumetric mass transfer coefficient with hydrate was higher than that of the bubble column. These results suggest that hydrate formation improves gas absorption performance.
Formation of p-Unsubstituted Phenols in Base-catalyzed Lignin Depolymerization
Authors: Kudo Shinji , Honda Eriko , Nishioka Shingo , Hayashi Jun-ichiro
Published: January 2021

Lignin valorization is one of the biggest challenges for developing biomass-based chemical industry. Recent innovative works has enabled depolymerization of lignin to the monomers with the yield close to theoretical maximum. The main product is a mixture of phenols derived from the cleavage of β-O-4 linkages between phenylpropanoid units. However, the obtained highly functionalized phenols are not common in current industry and, therefore, needs further processing for the utilization in intended applications. The present study shows that simple phenols without functional groups at para-position form selectively in base-catalyzed depolymerization of lignin. The yield is not sufficiently high, up to 6.9% on a carbon basis under the examined conditions, but the selectivity among released lignin monomers reaches 80%. The study also discusses the mechanism of p-unsubstituted phenols formation.
Improvement of the Optimal Design Procedure Using Randomized Algorithm and Process Simulators
Authors: Cabrera-Ruiz Julian , Hasebe Shinji , Alcantara-Avila J. Rafael
Published: January 2021

Though a global optimization procedure using a randomized algorithm and a commercial process simulator is relatively easy to implement for complex design problems (i.e., intensified design processes), a dominant problem is their heavy computation load. As the process simulation is repeatedly executed to calculate the objective function, it is inevitable to spend long computation time to derive the optimal solution. Also, the randomized algorithms consider the treatment of all variables as continuous. Thus, the reduction of the number of iterations is crucial for such optimization procedures that include integer variables. In this work, an estimation procedure of the objective function having integer design variables is proposed. In the proposed procedure, the values of the objective function at the nodes of hyper-triangle that includes the suggested next search point are used to estimate the objective function, at the same time normalization of the design optimization variables is recommended. The procedure was implemented on the simulated annealing stochastic algorithm with a trivial case of a binary mixture in order to know the optimal solution and compare the traditional optimizations procedures and the proposed one. The proposed procedure show improvement not only for reducing the number iterations, but also for an increase of accuracy of finding the optimal solution.