bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synergistic Effects on Lithium Metal Batteries by Preferential Ionic Interactions in Concentrated Bisalt Electrolytes
Authors: Pham Thuy Duong , Bin Faheem Abdullah , Chun So Yeon , Rho Jung‐Rae , Kwak Kyungwon , Lee Kyung‐Koo 
Published: February 2021

AbstractLithium metal batteries (LMBs) have the potential to deliver a greater specific capacity than any commercially used lithium battery. However, excessive dendrite growth and low Coulombic efficiencies (CEs) are major hurdles preventing the commercialization of LMBs. In this study, two different salts, lithium difluorophosphate (LiDFP) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), are chosen for use in concentrated electrolytic systems. By mixing salts with vastly different cation–anion interaction energies, the ion solvation structures in the electrolyte can be modulated to enhance the physical/electrochemical properties and suppress Li dendrite growth in LMBs. Among the investigated electrolyte systems, 2.2 m LiDFP + 1.23 m LiTFSI in 1,2‐dimethoxyethane is proposed as a highly promising electrolyte system because of its high conductivity (6.57 mS cm−1), CE (98.3%), and the formation of an extremely stable solid–electrolyte interface layer. The bisalt electrolyte presented herein, as well as the associated concepts, provide a new avenue toward commercial LMBs.
Tortuosity Modulation toward High‐Energy and High‐Power Lithium Metal Batteries
Authors: Shi Yongzheng , Li Bin , Zhang Yongzheng , Cui Yanglansen , Cao Zhenjiang , Du Zhiguo , Gu Jianan , Shen Kai , Yang Shubin 
Published: February 2021

AbstractLithium metal batteries (LMBs) are well recognized as potentially high‐energy systems to power portable electronics and electric vehicles. However, LMBs always undergo uncontrollable lithium deposition in metallic lithium anodes due to inhomogeneous lithium ion flux, which causes limited power output and impedes their practical applications. Low‐tortuous arrays in metallic lithium anodes have been intensively investigated to guide the fast transport of lithium ions and homogeneous growth of metallic lithium, thereby achieving high‐power LMBs. In this review, the correlation between the electrochemical kinetics and tortuosity of LMBs is first disclosed, especially in the metallic lithium anodes. Subsequently, the material design strategies for the low‐tortuous anodes are systematically summarized, including regulating lithium‐ion flux, electric field, and lithium nucleation by low‐tortuous insulating, conductive, and lithiophilic arrays, respectively. At the same time, low‐tortuous arrays are also efficient in guiding ion transport in the cathodes and solid composite electrolytes of LMBs. Finally, the currently existing challenges of modulating low‐tortuous structures to achieve high‐energy and high‐power LMBs are discussed.
Identification of comprehensive geriatric assessment‐based risk factors for insomnia in elderly Chinese hospitalized patients
Authors: Liu Rong , Shao Wenchao , Lai Jonathan King‐Lam , Zhou Lingshan , Ren Man , Sun Nianzhe 
Published: February 2021

AbstractObjectiveInsomnia is a common problem in older persons and is associated with poor prognosis from a functional or clinical perspective. The purpose of this study was to investigate the prevalence of insomnia and identify comprehensive geriatric assessment (CGA) based clinical factors associated with insomnia in elderly hospitalized patients.MethodsStandardized face‐to‐face interviews were conducted and CGA data were collected from 356 Chinese hospitalized patients aged 60 years or older. Insomnia was defined as self‐reported sleep poor quality according to the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM‐Ⅴ). Multivariate logistic regression analysis was applied to assess the association between patient clinical factors together with domains within the CGA and insomnia.ResultsAmong the 365 patients, insomnia was found in 48.31% of the participants. Difficulty in initiating sleep (DIS), early morning awakening (EMA), difficulty in maintaining sleep (DMS), and snoring were found in 33.99%, 9.55%, 13.48%, and 1.69% of patients, respectively. Significant associations were found between insomnia and several covariates: female gender (P = 0.034), depression (P = 0.001), activities of daily living (ADL) (P = 0.034), instrumental activities of daily living (IADL; P = 0.009), falling (P = 0.003), chronic pain (P = 0.001), and poor nutritional status (P = 0.038). According to the results of the adjustment multivariate logistic regression analysis, female sex (odds ratio [OR] = 2.057, confidence interval [CI] = 1.179‐3.588, P = 0.011), depression (OR = 1.889, CI = 1.080‐3.304, P = 0.026), and chronic pain (OR = 1.779, CI = 1.103‐2.868, P = 0.018) were significant independently predictors associated with insomnia.ConclusionsOur study revealed that female sex, depression, and chronic pain were independently predictors of insomnia in hospitalized patients. Early identification of elderly patients with these risk factors using the CGA may improve the quality of life and treatment outcomes.
Intracellular aggregations of biological elements: From simple to complex
Authors: Li Fangzhou , Lan Xinmiao , Liang Xing‐Jie 
Published: February 2021

AbstractMost cellular elements could be functioned by forming aggregate structures through interactions with other molecules, which is like the luminescence mechanism of AIE molecules. However, in comparison to AIE molecules, the aggregation of biological elements appears to be more complex due to membership and mechanism, which is in line with the trend in biological evolution following the principle of simplicity to complexity. Here, we chose three distinctive examples because they differ significantly in their composition and show a progression from simple to complex, namely protein–protein complexes, protein–nucleic acid complexes, and protein–nucleic acid–lipid complexes. The majority of units that perform functions within cells belong to these three types. We discuss the formation mechanisms and related functions of the protein–protein complex (PML‐NB), the proteins–nucleic acids complex ribosome, and the proteins–nucleic acids–lipids complex exosome, and hope to provide expert insight for related fields.
Modeling Fischer–Tropsch kinetics and product distribution over a cobalt catalyst
Authors: Pandey Umesh , Runningen Anders , Gavrilović Ljubiša , Jørgensen Erik A. , Putta Koteswara R. , Rout Kumar R. , Rytter Erling , Blekkan Edd A. , Hillestad Magne 
Published: February 2021

AbstractA detailed kinetic model describing the consumption of key components and product distribution in the Fischer–Tropsch synthesis (FTS) over a 20%Co/0.5Re γ‐Al2O3 commercial catalyst is developed. The developed model incorporates the H2O‐assisted CO dissociation mechanism developed by Rytter and Holmen and a novel approach to product distribution modeling. The model parameters are optimized against an experimental dataset comprising a range of process conditions: total pressure 2.0–2.2 MPa, temperature 210–230°C, CO conversion range of 10%–75% and feed with and without added water. The quality of the model fit measured in terms of mean absolute relative residuals (MARR) value is 23.1%, which is comparable to literature reported values. The developed model can accurately describe both positive and negative effects of water on the rate kinetics, the positive effect of water on the growth factor, temperature and syngas composition on the kinetics and product distribution over a wide range of process conditions, which is critical for the design and optimization of the Fisher–Tropsch reactors.
Sugar cane juice concentration via CO2 gas hydrate formation
Authors: Doubra Parisa , Naidoo Paramespri 
Published: February 2021

AbstractSugar cane juice concentration via evaporation is the traditional method, though the downside in this technique is the product loss due to sucrose inversion. Gas hydrate separation is an emerging technology applied in desalination, carbon capture, and in this study, for concentrating fruit juice by trapping the water in the form of crystalline cages. A 750 cm3 hydrate reactor was used for hydrate formation experiments to concentrate the sugar cane juice, with a sampling of the concentrate to determine the final solids content. Hydrate formation experiments showed the successful concentration of a 0.12 mass fraction feed to approximately 0.56 mass fraction using four batchwise concentration stages. A comparison of the energy usage between the evaporation train as used in sugar factories and a single batch hydrate formation stage, to concentrate a 0.12 mass fraction feed to 0.30 mass fraction showed an energy reduction of approximately 20% for the hydrate method.
Shared paternal ancestry of Han, Tai‐Kadai‐speaking, and Austronesian‐speaking populations as revealed by the high resolution phylogeny of O1a‐M119 and distribution of its sub‐lineages within China
Authors: Sun Jin , Li Ying‐Xiang , Ma Peng‐Cheng , Yan Shi , Cheng Hui‐Zhen , Fan Zhi‐Quan , Deng Xiao‐Hua , Ru Kai , Wang Chuan‐Chao , Chen Gang , Wei Lan‐Hai 
Published: February 2021

AbstractObjectivesThe aim of this research was to explore the origin, diversification, and demographic history of O1a‐M119 over the past 10,000 years, as well as its role during the formation of East Asian and Southeast Asian populations, particularly the Han, Tai‐Kadai‐speaking, and Austronesian‐speaking populations.Materials and MethodsY‐chromosome sequences (n = 141) of the O1a‐M119 lineage, including 17 newly generated in this study, were used to reconstruct a revised phylogenetic tree with age estimates, and identify sub‐lineages. The geographic distribution of 12 O1a‐M119 sub‐lineages was summarized, based on 7325 O1a‐M119 individuals identified among 60,009 Chinese males.ResultsA revised phylogenetic tree, age estimation, and distribution maps indicated continuous expansion of haplogroup O1a‐M119 over the past 10,000 years, and differences in demographic history across geographic regions. We propose several sub‐lineages of O1a‐M119 as founding paternal lineages of Han, Tai‐Kadai‐speaking, and Austronesian‐speaking populations. The sharing of several young O1a‐M119 sub‐lineages with expansion times less than 6000 years between these three population groups supports a partial common ancestry for them in the Neolithic Age; however, the paternal genetic divergence pattern is much more complex than previous hypotheses based on ethnology, archeology, and linguistics.DiscussionOur analyses contribute to a better understanding of the demographic history of O1a‐M119 sub‐lineages over the past 10,000 years during the emergence of Han, Austronesians, Tai‐Kadai‐speaking populations. The data described in this study will assist in understanding of the history of Han, Tai‐Kadai‐speaking, and Austronesian‐speaking populations from ethnology, archeology, and linguistic perspectives in the future.
Nonparametric Bayesian functional two‐part random effects model for longitudinal semicontinuous data analysis
Authors: Park Jinsu , Choi Taeryon , Chung Yeonseung 
Published: February 2021

AbstractLongitudinal semicontinuous data, characterized by repeated measures of a large portion of zeros and continuous positive values, are frequently encountered in many applications including biomedical, epidemiological, and social science studies. Two‐part random effects models (TPREM) have been used to investigate the association between such longitudinal semicontinuous data and covariates accounting for the within‐subject correlation. The existing TPREM is, however, limited to incorporate a functional covariate, which is often available in a longitudinal study. Moreover, the existing TPREM typically assumes the normality of subject‐specific random effects, which can be easily violated when there exists a subgroup structure. In this article, we propose a nonparametric Bayesian functional TPREM to assess the relationship between the longitudinal semicontinuous outcome and various types of covariates including a functional covariate. The proposed model also relaxes the normality assumption for the random effects through a Dirichlet process mixture of normals, which allows for identifying an underlying subgroup structure. The methodology is illustrated through an application to social insurance expenditure data collected by the Korean Welfare Panel Study and a simulation study.
Generalised M‐quantile random‐effects model for discrete response: An application to the number of visits to physicians
Authors: Schirripa Spagnolo Francesco , Mauro Vincenzo , Salvati Nicola 
Published: February 2021

AbstractIn this paper, we extend the linear M‐quantile random intercept model (MQRE) to discrete data and use the proposed model to evaluate the effect of selected covariates on two count responses: the number of generic medical examinations and the number of specialised examinations for health districts in three regions of central Italy. The new approach represents an outlier‐robust alternative to the generalised linear mixed model with Gaussian random effects and it allows estimating the effect of the covariates at various quantiles of the conditional distribution of the target variable. Results from a simulation experiment, as well as from real data, confirm that the method proposed here presents good robustness properties and can be in certain cases more efficient than other approaches.
Assessing Sexual Behaviours in Children and Young People: A Realistic Evaluation of the Brook Traffic Light Tool
Authors: King‐Hill Sophie 
Published: February 2021

The Brook Traffic Light Tool intends to support professionals in responding to developmentally inappropriate behaviours in children and young people. This is important as the number of reported harmful sexual behaviours in children and young people is rising. This study is a realistic evaluation of Brook Traffic Light Tool training implemented across a southern locality, using the Kirkpatrick model of evaluating training. Data were collected in a three‐phase mixed methods approach comprising 436 initial questionnaires, 60 additional detailed questionnaires and 13 interviews. The results show that confidence among professionals was raised and multiagency responses to risk were enhanced. The Traffic Light Tool training also increased awareness of sexual development. Direct impact upon the behaviour of children and young people was difficult to ascertain, and categorisation anomalies were found when behaviours were not explicitly outlined in the Traffic Light Tool. A range of professionals with little previous training had encountered both harmful and healthy sexual behaviours in children and young people. Comparison of the numbers of sexual behaviours observed to national figures proved problematic as no baseline or national strategy currently exists.‘This study is a realistic evaluation of Brook Traffic Light Tool training… using the Kirkpatrick model of evaluating training’Key Practitioner Messages

The Traffic Light Tool enhances practitioner confidence in the area of sexual behaviours in children and young people and can impact positively on risk assessments but only when all agencies have been trained.
The Traffic Light Tool can remove the context into which the behaviours are situated, making assessment one dimensional.
Using the Traffic Light Tool when a behaviour is not explicitly listed may result in subjective judgements being made.
It is difficult to assess the direct impact of the Traffic Light Tool on the behaviour of children and young people
Ruthenium‐Catalyzed E‐Selective Partial Hydrogenation of Alkynes under Transfer‐Hydrogenation Conditions using Paraformaldehyde as Hydrogen Source
Authors: Fetzer Marcus N. A. , Tavakoli Ghazal , Klein Axel , Prechtl Martin H. G. 
Published: February 2021

AbstractE‐alkenes were synthesized with up to 100 % E/Z selectivity via ruthenium‐catalyzed partial hydrogenation of different aliphatic and aromatic alkynes under transfer‐hydrogenation conditions. Paraformaldehyde as a safe, cheap and easily available solid hydrogen carrier was used for the first time as hydrogen source in the presence of water for transfer‐hydrogenation of alkynes. Optimization reactions showed the best results for the commercially available binuclear [Ru(p‐cymene)Cl2]2 complex as pre‐catalyst in combination with 2,2‐bis(diphenylphosphino)‐1,1‐binaphthyl (BINAP) as ligand (1 : 1 ratio per Ru monomer to ligand). Mechanistic investigations showed that the origin of E‐selectivity in this reaction is the fast Z to E isomerization of the formed alkenes. Mild reaction conditions plus the use of cheap, easily available and safe materials as well as simple setup and inexpensive catalyst turn this protocol into a feasible and promising stereo complementary procedure to the well‐known Z‐selective Lindlar reduction in late‐stage syntheses. This procedure can also be used for the production of deuterated alkenes simply using d2‐paraformaldehyde and D2O mixtures.
Composition‐performance Relationships in Catalysts Formulation for the Direct Conversion of Crude Oil to Chemicals
Authors: Alabdullah Mohammed , Shoinkhorova Tuiana , Rodriguez‐Gomez Alberto , Dikhtiarenko Alla , Vittenet Jullian , Ali Ola S. , Morales‐Osorio Isidoro , Xu Wei , Gascon Jorge 
Published: February 2021

AbstractMaximizing the production of petrochemicals from crude oil at the expense of fuels is among the most important targets for refiners. In this conversion, catalyst composition and formulation play a key role. Here we present a thorough study of the effect of formulated FCC catalyst composition on the one‐step cracking of Arabian light crude oil. Our results demonstrate that over a 35 wt. % yield to light olefins can be achieved on spray‐dried catalysts containing 1 : 1 mixtures of ZSM‐5 and FAU zeolites (alongside binder and clay). Coke deposition and catalyst deactivation can be correlated to the nature and content of each zeolite component.
Reevesite with Ordered Intralayer Atomic Arrangement as an Optimized Nickel‐Iron Oxygen Evolution Electrocatalyst
Authors: Chen Shan , Jiang Shuaihu , Rao Yuan , Dong Yi , Bu Junfei , Yue Qin 
Published: February 2021

AbstractGreen hydrogen production through electrocatalytic water splitting relies on inexpensive and highly efficient electrocatalysts. Ni−Fe layered double hydroxide (LDH) is considered as one of the most promising non‐precious metal electrocatalysts for the oxygen evolution reaction (OER). Previous research identified the Fe octahedral site surrounded by [NiO6] octahedrons as a highly active and stable site for OER; however, an optimized electrocatalyst material in such a structure is still missing. Herein, reevesite hierarchical nanostructure supported on Ni foam (Reevesite/NF) is constructed to enable the optimal structure toward the OER. Such Reevesite/NF electrocatalysts with a unique ordered intralayer structure are capable of achieving a high current density (300 mA cm−2) at a low overpotential of only 283 mV, while the durability of the Reevesite/NF is equally outstanding, offering a promising non‐precious metal OER catalyst toward high‐efficiency water splitting.
Big Data, AI und die Freude am Ingenieurwesen
Authors: Kuhn Michael 
Published: February 2021

AbstractIn diesem provokativ angelegten Beitrag wird kritisch nach den Konsequenzen von Big Data und AI für die Ingenieurwissenschaften gefragt. Big Data und AI werden dabei durch Intransparenz und ihr Überraschungspotential charakterisiert. Mit diesen Eigenschaften schwindet allerdings die Freude an der technischen Gestaltung und es sinkt die Attraktivität des Ingenieurwesens. Dagegen wird für eine transparente und menschliche Technikentwicklung plädiert, die Freude macht und die Zuschreibung von Verantwortung erleichtert. Die präsentierte Argumentation ist im Kern eine philosophische, getragen von der Überzeugung, dass die Philosophie einen wichtigen Beitrag zur technischen Praxis leisten kann.
Synthesis, Characterization, and Reactivity of Metalla‐Chalcogenirenium Compounds†
Authors: Luo Ming , Cai Yapeng , Lin Xinlei , Long Lipeng , Zhang Hong , Xia Haiping 
Published: February 2021

Main observation and conclusionChalcogenirenium cations, featuring an unsaturated three‐membered organic ring, are limited but known to be synthesizable from alkynes with bulky electron‐donating groups. Metalla‐chalcogenirenium compounds have been synthesized as stable compounds through the reactions of a cyclic metal‐carbyne complex—metallapentalyne with PhSCl, PhSeCl or PhTeCl. As a result of the high strain in the three‐membered metallacycles, the metalla‐chalcogenirenium cations react readily with the base or chloride ions. These reactions furnish a series of unprecedented chalcogenirenium cations with intact M=C bonds. The intrinsic stabilization effect of aromaticity is further elucidated by density functional calculations.
Single‐Component Chemical Nose with a Hemicyanine Probe for Pattern‐Based Discrimination of Metal Ions†
Authors: Zhai Jingying , Wu Yaotian , Xie Xiaojiang 
Published: February 2021

Main observation and conclusionWe report here a chemical nose utilizing the nonspecificity of a hemicyanine dye (probe P) containing three acetates and one deprotonatable phenol groups. Unlike conventional pattern‐based recognition that requires a combination of different probes, probe P alone is able to differentiate 9 different metals, generating distinctive absorption spectra and various patterns upon principle component analysis (PCA). River water samples and commercial mineral water samples were evaluated by the probe and were successfully distinguished.
Independent and mixed transmission of 166.5 Gb/s PM‐8QAM and 222 Gb/s PM‐16QAM Nyquist‐wavelength division multiplexed superchannel for long‐haul metro network
Authors: Sachan Shikha , Sharma Divya , Prajapati Yogendra Kumar , Tripathi Rajeev 
Published: February 2021

SummaryThis paper investigates the Nyquist‐wavelength division multiplexed (Nyquist‐WDM) terabit superchannel by employing independent and mixed line rate (MLR) transmission of different polarization‐multiplexed quadrature amplitude modulation (PM‐QAM) subcarriers. Here, terabit superchannel transmission including forward error correction overhead is successfully achieved by employing either 7 × 166.5 Gb/s PM‐8QAM or 5 × 222 Gb/s PM‐16QAM or both 2 × 166.5 Gb/s PM‐8QAM and 3 × 222 Gb/s PM‐16QAM simultaneous transmission. Considering linear filtering penalties and nonlinear propagation effects, the proposed superchannel is transmitted over standard single‐mode fiber (SSMF) and pure silica core fiber (PSCF) along with erbium‐doped fiber amplifier (EDFA) at 19.8‐ and 15.12‐dB span loss for SSMF and PSCF, respectively. The performance of both terabit superchannels is analyzed in terms of maximum reach, good spectral efficiency, highest transmission capacity, and optimum launch power with variation in channel spacing from 50‐GHz fixed ITU‐T grid to 29 GHz, at an acceptable bit error rate (BER). To achieve BER 4 × 10−3, MLR‐based 166.5 Gb/s PM‐8QAM and 222 Gb/s PM‐16QAM suffer a penalty of 5.5‐ and 9.2‐dB OSNR over Nyquist‐only 7 × 166.5 Gb/s PM‐8QAM and 5 × 222 Gb/s PM‐16QAM transmission at the advent of a flexible multi‐flow transponder. It is observed that at 33.33‐GHz Nyquist spacing over PSCF, 5 × 222 Gb/s PM‐16QAM and 7 × 166.5 Gb/s PM‐8QAM superchannels deliver a reach up to 1800 and 2970 km, while MLR approach results in extreme reach of 2250 and 3600 km over PSCF as per MLR PM‐16QAM and PM‐8QAM subcarriers, respectively. Hence, an appreciable spectral efficiency–distance product (SEDP) is achieved due to PSCF at Nyquist spacing of 33.33 GHz with 5.25 bit/s/Hz spectral efficiency. A good link power budget is also calculated for the proposed MLR‐based Nyquist‐WDM superchannel. MLR‐based PM‐16QAM and PM‐8QAM subcarriers deliver excellent SEDP of 11,812 and 18,900 bit/s/Hz·km, respectively, which is, to the best of author's knowledge, better on comparing with the other existing literature for single‐core channel explorations.