bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analysis of equilibrium CO2 solubility and thermodynamic models for aqueous 1‐(2‐hydoxyethyl)‐piperidine solution
Authors: Xiao Min , Zheng Wenchao , Liu Helei , Tontiwachwuthikul Paitoon , Liang Zhiwu 
Published: March 2019

Abstract1‐(2‐Hydoxyethyl)‐piperidine (1‐(2HE)‐PP) is a new tertiary amine with desirable properties and can be potentially used to formulate superior absorbents for CO2 capture. The equilibrium CO2 solubility of 1‐(2HE)‐PP solution is measured over temperatures from 298 to 333 K, CO2 partial pressures from 8.1 to 101.3 kPa and initial amine concentrations from 1 to 5 M. Two thermodynamic models, namely semiempirical model and activity coefficient model are developed for the system. The activity coefficient model shows better estimation solubility with an absolute average relative deviation (AARD) of 7.6%. In the comparison between the two models, a comprehensive analysis is presented. Some suggestions are provided for the similar model development. In addition, the speciation plot of CO2 loaded 1‐(2HE)‐PP solution is predicted based on the activity coefficient model. The predictive pH values agree well with experimental data with AARD of 1.0%. Finally, the potential of 1‐(2‐HE)PP to be an alternative amine in CO2 capture is evaluated.
Role of ionic liquids in the efficient transfer of lithium by Cyanex 923 in solvent extraction system
Authors: Cui Li , Jiang Kun , Wang Junfeng , Dong Kun , Zhang Xiangping , Cheng Fangqin 
Published: March 2019

AbstractThe solvent extraction of Li+ by Cyanex 923 was investigated upon the addition of different imidazolium‐based ionic liquids (ILs). The results showed 1‐hydroxylethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide ([HOEmim][NTf2]) can improve the extraction of Li+ most effectively. The fundamental mechanism is that [HOEmim][NTf2] can remarkably enhance the coordination ability of Cyanex 923 to Li+ to form more stable and hydrophobic ion‐pair species [Li(Cyanex 923)n][NTf2] (nmax = 3) resulting from the electrostatic interaction and typical hydrogen bonding of IL, and thus facilitating the transfer of Li+ into organic phase. This work has revealed the transfer mechanism of Li+ in a solvent extraction system comprising of IL and neural ligand. The knowledge of the coordination environment of Li+ in the presence of IL also gives us a new insight into the separation of 6Li/7Li. The disadvantage of this process is the loss of IL. However, this study provides guidance for the design of better IL‐based systems for the separation of metal ions.
Incidental findings on whole‐body computed tomography in trauma patients: the current state of incidental findings and the effect of implementation of a feedback system
Authors: Kumada Keisuke , Murakami Nobuo , Okada Hideshi , Toyoda Izumi , Ogura Shinji , Asano Takahiko 
Published: March 2019

AimWhole‐body computed tomography (CT) for trauma occasionally reveals significant incidental findings not related to trauma, which require an adequate response. In this study, we examined the current state of incidental findings in trauma patients on whole‐body CT and the effects of the feedback system.MethodsThe subject sample included trauma patients who underwent whole‐body CT while being examined for trauma during the 2‐year period, with the interpretation of the CT reported by a radiologist. The frequency and recognition of incidental findings and the involved body region were investigated. The state of incidental findings before and after implementation of a radiography report feedback system was also examined.ResultsDuring the study period, whole‐body CT revealed incidental findings in 79 of 199 trauma patients (40.1%). The mean age of the 79 patients with incidental findings was 62.8 ± 19.5 years, and the mean injury severity score was 16.6 ± 10.0. No difference was observed in the severity of trauma, age, or length of hospital stay. The incidental findings were related to the liver/gallbladder in 22 patients, kidneys in 17, lungs in 14, and the intracranial area in 13. The recognition rate of incidental findings after the implementation of the feedback system increased from 23.3% to 32.6%.ConclusionsConsidering that not all incidental findings are accurately recognized, a proper feedback system is required. A feedback system is beneficial and a need to ensure improvement in the recognition of incidental findings.
Chemoenzymatische Totalsynthese von Deoxy‐, epi‐ und Podophyllotoxin sowie biokatalytische kinetische Racematspaltung von Dibenzylbutyrolactonen
Authors: Lazzarotto Mattia , Hammerer Lucas , Hetmann Michael , Borg Annika , Schmermund Luca , Steiner Lorenz , Hartmann Peter , Belaj Ferdinand , Kroutil Wolfgang , Gruber Karl , Fuchs Michael 
Published: March 2019

AbstractPodophyllotoxin (1) ist einer der bekanntesten Vertreter von natürlich vorkommenden Lignanen. Deoxy‐, epi‐ und Podophyllotoxin, welche alle Vorstufen für häufig verwendete chemotherapeutische Verbindungen darstellen, wurden mithilfe einer stereodivergenten Biotransformation und biokatalytischen kinetischen Racematspaltung der jeweiligen Dibenzylbutyrolactone durch dieselbe 2‐Oxoglutarat‐abhängige Dioxygenase (2‐ODD) hergestellt. Zudem konnte gezeigt werden, dass ein “Upscaling” der Reaktion auf 2 g möglich ist, sowie dass das 2‐ODD‐Enzym Modifikationen des “natürlichen” Substrates toleriert und somit verschiedenste nichtnatürliche Derivate umsetzen kann. Das Enzym führt je nach Substituentenmuster entweder eine oxidative C‐C‐Bindungsbildung durch C‐H‐Aktivierung oder Hydroxylierung an der für die Ringschließung zugänglichen benzylischen Position durch.
Chiral Brønsted Acid Catalyzed Dynamic Kinetic Asymmetric Hydroamination of Racemic Allenes and Asymmetric Hydroamination of Dienes
Authors: Lin Jin‐Shun , Li Tao‐Tao , Jiao Guan‐Yuan , Gu Qiang‐Shuai , Cheng Jiang‐Tao , Lv Ling , Liu Xin‐Yuan 
Published: March 2019

AbstractThe first highly efficient and practical chiral Brønsted acid catalyzed dynamic kinetic asymmetric hydroamination (DyKAH) of racemic allenes and asymmetric hydroamination of unactivated dienes with both high E/Z selectivity and enantioselectivity are described herein. The transformation proceeds through a new catalytic asymmetric model involving a highly reactive π‐allylic carbocationic intermediate, generated from racemic allenes or dienes through a proton transfer mediated by an activating/directing thiourea group. This method affords expedient access to structurally diverse enantioenriched, potentially bioactive alkenyl‐containing aza‐heterocycles and bicyclic aza‐heterocycles.
Circularly‐Polarized Electrochemiluminescence from a Chiral Bispyrene Organic Macrocycle
Authors: Zinna Francesco , Voci Silvia , Arrico Lorenzo , Brun Elodie , Homberg Alexandre , Bouffier Laurent , Funaioli Tiziana , Lacour Jérôme , Sojic Neso , Di Bari Lorenzo 
Published: March 2019

AbstractThe first observation of circular polarization of electrochemiluminescence (ECL) from a purely organic derivative is reported. A bispyrene scaffold mounted on a constrained polyether macrocycle displaying intense excimer fluorescence and highly circularly‐polarized (CP) photoluminescence has been selected for this purpose. The compound displays an ECL dissymmetry factor of about |8×10−3|, which is in good agreement with the corresponding photoluminescence value. This observation is the first step towards the molecular engineering of tailored dyes that can act as both ECL and CP‐ECL reporters for (bio)analysis by bringing a new level of information when dealing with chiral environments. Additionally, it provides an extra dimension to the ECL phenomenon and opens the way to chiral detection and discrimination.
Plasmonic Nickel–TiO2 Heterostructures for Visible‐Light‐Driven Photochemical Reactions
Authors: He Shuai , Huang Jiawei , Goodsell Justin L. , Angerhofer Alexander , Wei Wei David 
Published: March 2019

AbstractPlasmon‐mediated carrier transfer (PMCT) at metal–semiconductor heterojunctions has been extensively exploited to drive photochemical reactions, offering intriguing opportunities for solar photocatalysis. However, to date, most studies have been conducted using noble metals. Inexpensive materials capable of generating and transferring hot carriers for photocatalysis via PMCT have been rarely explored. Here, we demonstrate that the plasmon excitation of nickel induces the transfer of both hot electrons and holes from Ni to TiO2 in a rationally designed Ni–TiO2 heterostructure. Furthermore, it is discovered that the transferred hot electrons either occupy oxygen vacancies (VO) or produce Ti3+ on TiO2, while the transferred hot holes are located on surface oxygens at TiO2. Moreover, the transferred hot electrons are identified to play a primary role in driving the degradation of methylene blue (MB). Taken together, our results validate Ni as a promising low‐cost plasmonic material for prompting visible‐light photochemical reactions.
High‐Rate, Tunable Syngas Production with Artificial Photosynthetic Cells
Authors: Zhang Hongwen , Ming Jintao , Zhao Jiwu , Gu Quan , Xu Chao , Ding Zhengxin , Yuan Rusheng , Zhang Zizhong , Lin Huaxiang , Wang Xuxu , Long Jinlin 
Published: March 2019

AbstractAn artificial photosynthetic (APS) system consisting of a photoanodic semiconductor that harvests solar photons to split H2O, a Ni‐SNG cathodic catalyst for the dark reaction of CO2 reduction in a CO2‐saturated NaHCO3 solution, and a proton‐conducting membrane enabled syngas production from CO2 and H2O with solar‐to‐syngas energy‐conversion efficiency of up to 13.6 %. The syngas CO/H2 ratio was tunable between 1:2 and 5:1. Integration of the APS system with photovoltaic cells led to an impressive overall quantum efficiency of 6.29 % for syngas production. The largest turnover frequency of 529.5 h−1 was recorded with a photoanodic N‐TiO2 nanorod array for highly stable CO production. The CO‐evolution rate reached a maximum of 154.9 mmol g−1 h−1 in the dark compartment of the APS cell. Scanning electrochemical–atomic force microscopy showed the localization of electrons on the single‐nickel‐atom sites of the Ni‐SNG catalyst, thus confirming that the multielectron reduction of CO2 to CO was kinetically favored.
High Electron Mobility of Amorphous Red Phosphorus Thin Films
Authors: Amaral Pedro E. M. , Nieman Glen P. , Schwenk Gregory R. , Jing Hao , Zhang Raymond , Cerkez Elizabeth B. , Strongin Daniel , Ji Hai‐Feng 
Published: March 2019

AbstractBlack phosphorus (BP) has been gathering great attention for its electronic and optoelectronic applications due to its high electron mobility and high ION/OFF current switching ratio. The limitations of this material include its low synthetic yield and high cost. One alternative to BP is another type of phosphorus allotrope, red phosphorus (RP), which is much more affordable and easier to process. Although RP has been widely used in industry for hundreds of years and considered as an insulating material, in this study, we demonstrate through field‐effect transistors (FET) measurements that amorphous red phosphorus (a‐RP) films are semiconductive with a high mobility of 387 cm2 V−1 s−1 and a current switching ratio of ≈103, which is comparable to the electronic characteristics previously reported for BP. The films were produced via a thermal evaporation method or a facile drop‐casting approach onto Si/SiO2 substrates. We also report a study of the oxidation process of the films over time and a method to stabilize the films via doping a‐RP with metal oxides. The doped films retain stability for one thousand I–V cycles, with no signs of degradation.
Nickel‐Catalyzed Asymmetric Hydrogenation of N‐Sulfonyl Imines
Authors: Li Bowen , Chen Jianzhong , Zhang Zhenfeng , Gridnev Ilya D. , Zhang Wanbin 
Published: March 2019

AbstractAn efficient nickel‐catalyzed asymmetric hydrogenation of N‐tBu‐sulfonyl imines was developed with excellent yields and enantioselectivities using (R,R)‐QuinoxP* as a chiral ligand. The use of a much lower catalyst loading (0.0095 mol %, S/C=10500) represents the highest catalytic activity for the Ni‐catalyzed asymmetric hydrogenations reported so far. Mechanistic studies suggest that a coordination equilibrium exists between the nickel salt and its complex, and that excess nickel salt promotes the formation of the active Ni‐complex, and therefore improved the efficiency of the hydrogenation. The catalytic cycle was also investigated by calculations to determine the origin of the enantioselectivity. An extensive network of numerous weak attractive interactions was found to exist between the catalyst and substrate in the transition state and may also contribute to the high catalytic activity.
Synthesis of Poly(N‐vinylamide)s and Poly(vinylamine)s and Their Block Copolymers by Organotellurium‐Mediated Radical Polymerization
Authors: Fan Weijia , Yamago Shigeru 
Published: March 2019

AbstractControlled polymerization of acyclic N‐vinylamides, that is, N‐methyl‐N‐vinylacetamide (NMVA), N‐vinylacetamide (NVA), and N‐vinylformamide (NVF), by organotellurium‐mediated radical polymerization (TERP) is reported. The corresponding poly(N‐vinylamide)s with controlled molecular weight and low dispersity (Ð<1.25) were obtained with high monomer conversion in all cases. This is the first report on the controlled polymerization of NVF. Hydrolysis of the polymers, in particular PNVF, occurred quantitatively under mild reaction conditions, giving structurally controlled poly(vinylamine)s. Block copolymers containing poly(N‐vinylamide) and poly(vinylamine) segments were also synthesized in a controlled manner.
Total Synthesis of (−)‐Daphenylline
Authors: Xu Bo , Wang Bingyang , Xun Wen , Qiu Fayang G. 
Published: March 2019

AbstractA concise and highly stereoselective total synthesis of the Daphniphyllum alkaloids (−)‐daphenylline has been accomplished. The synthesis was started from (S)‐carvone and proceeded via a stereoselective Mg(ClO4)2‐catalyzed intramolecular amide addition cyclization, an intramolecular Diels–Alder reaction to construct the ABCD tetracyclic core architecture, and a Robinson annulation coupled with an oxidative aromatization sequence. Finally, the DF ring system was installed through an intramolecular Friedel–Crafts cyclization. The total synthesis of (−)‐daphenylline is achieved in 19 steps in the longest reaction sequence and in 7.6 % overall yield.
A Self‐Assembled Bicontinuous Cubic Phase with a Single‐Diamond Network
Authors: Zeng Xiangbing , Poppe Silvio , Lehmann Anne , Prehm Marko , Chen Changlong , Liu Feng , Lu Huanjun , Ungar Goran , Tschierske Carsten 
Published: March 2019

AbstractThe first single‐diamond cubic phase in a liquid crystal is reported. This skeletal structure with the
space group is formed by self‐assembly of bolaamphiphiles with swallow‐tailed lateral chains. It consists of bundles of π‐conjugated p‐terphenyl rods fused into an infinite network by hydrogen‐bonded spheres at tetrahedral four‐way junctions. We also present a quantitative model relating molecular architecture to the space‐filling requirements of six possible bicontinuous cubic phases, that is, the single‐ and double‐network versions of gyroid, diamond, and “plumber′s nightmare”.
Efficient Synthesis of α‐Trifluoromethyl Carboxylic Acids and Esters through Fluorocarboxylation of gem‐Difluoroalkenes
Authors: Yoo Woo‐Jin , Kondo Junpei , Rodríguez‐Santamaría José A. , Nguyen Thanh V. Q. , Kobayashi Shū 
Published: March 2019

AbstractA facile synthetic procedure for the preparation of α‐trifluoromethyl carboxylic acids and esters was achieved through multicomponent coupling reactions between gem‐difluoroalkenes, cesium fluoride, and carbon dioxide. The products were generated in moderate to excellent yields, and the synthetic utility of this method was demonstrated through the preparation of trifluoromethylated versions of popular nonsteroidal anti‐inflammatory drugs (NSAIDs).
Three pairs of enantiomers bearing mitochondria‐targeted TPP+ groups as potential anti‐cancer agents
Authors: Liu Yue , Song Xue‐Qing , Li Si‐Tong , Liu Xin , Tian Jin‐Lei , Xu Jing‐Yuan , Yan Shi‐Ping 
Published: March 2019

Six complexes with chiral Schiff‐base ligands containing TPP+ groups, [VOLR,R/S,S](ClO4)2(1 for RR, 2 for SS), [NiLR,R/S,S](ClO4)2·C2H5OH (3 for RR, 4 for SS) and [CuLR,R/S,S](ClO4)2·CHCl3·CH3CH2OH (5 for RR, 6 for SS) (LR,R/S,S = N,N′‐Bis{5‐[(triphenylphosphonium)‐methyl]salicylidine}‐(1R,2R/1S,2S)‐diphenylethane‐1,2‐diamine, were synthesized to serve as mitochondrion‐targeting anticancer drugs. The introduction of TPP+ group(s) might markedly influence the properties of complexes. Compounds 3 and 5 were structurally characterized by X‐ray crystallography. Complexes 1–6 could be moderate intercalating agents to CT‐DNA which is determined by several spectroscopy methods. DNA cleavage experiments revealed that all compounds could promote oxidative cleavage of pBR322 plasmid DNA in the presence of H2O2. MTT assay indicated 1–6 exhibited effective cytotoxicity on A549 and MCF‐7 cell lines. Notably, the IC50 values of 5 (1.24 ± 0.33 μM) or 6 (1.47 ± 0.52 μM) were approximately 9–11 fold lower than that of cisplatin (IC50 = 13.56 ± 0.88 μM) on A549 cells. 5 and 6 were picked for further study, which indicated that the cytotoxicity seems to result from multiple mechanisms of action, including effectively suppress the growth and proliferation of A549 cells, generation of reactive oxygen species, dissipation of mitochondrial membrane potential, cell cycle perturbation and apoptosis induction. Compounds 1–6 could highly accumulate in the mitochondria by means of ICP‐MS assay. This study demonstrates that 1–6 with mitochondrion‐targeting function could be efficient anticancer drugs.
Guideline Implementation: Design and Maintenance of the Surgical Suite
Authors: Link Terri 
Published: March 2019

AbstractThe primary considerations for any health care facility construction or renovation project are the design and function of the new areas, assessment of environmental risks for airborne contamination, and containment of dust and moisture created during construction activities. Disruptions created by construction inside or outside a health care facility can increase airborne organisms, such as Aspergillus, that can lead to infections; thus, infection prevention and control are integral parts of construction planning. The AORN “Guideline for design and maintenance of the surgical suite” provides guidance to perioperative team members for developing a functional program to guide the construction/renovation project, use of evidence‐based design principles, measures to contain construction‐related dust and debris, and maintenance of utilities after planned or emergent utility failures. Perioperative nurses should review the complete guideline for additional information and for guidance when writing and updating policies and procedures.
Quaternized chitosan/functionalized carbon nanotubes composite anion exchange membranes
Authors: Jang Shin‐Cheng , Chuang Fu‐Sheng , Tsen Wen‐Chin , Kuo Ting‐Wei 
Published: March 2019

ABSTRACTNatural alkaline polyelectrolyte chitosan has been considered to be a promising anion exchange membrane (AEM) material due to its low cost and easy quaternization. To further improve the ionic conductivity and mechanical property of quaternized chitosan (QCS), QCS functionalized carbon nanotubes (QCS@CNTs) were prepared and used as a novel nanofiller to modify the membrane matrix. The QCS coating layer on the surface of CNTs can not only improve the dispersion of CNTs and thus promote the load transfer from the QCS matrix to stiff CNTs, but also endow CNTs with a certain hydroxide ions exchange ability. The results show that the addition of QCS@CNTs slightly decreased the ionic conductivity of the composite membranes while the tensile strength and alkaline stability of these membranes were significantly improved, indicating the potential application of these composite membranes in AEM fuel cells. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47778.
Synthesis of aminophosphonate polyols and polyurethane foams with improved fire retardant properties
Authors: Borreguero Ana M. , Velencoso María M. , Rodríguez Juan F. , Serrano Ángel , Carrero M. José , Ramos María J. 
Published: March 2019

ABSTRACTAminophosphonated polyols with flame retardant properties are synthesized by ring opening polymerization using diethyl‐N,N‐bis(2‐hydroxyethyl) aminomethyl phosphonate (Fyrol‐6) as initiator. The influence of the catalyst type and its concentration on the polymerization rate are studied. The catalyst system formed by potassium methoxide (MeOK) in DMSO as a solvent presents the highest polymerization rate and allows reducing the polydispersity. The thermal resistance of the synthesized polyols is confirmed by the char residues formation. Finally, PU foams are synthesized containing up to a 50 pph of PFyCs[1:1], preserving good cellular structure up to a 25 pph content and improving the fire resistance by increasing the char residue from 7.79 to 22.13 wt % and decreasing the PHRR and the smoke production according to TGA and cone calorimeter tests, respectively. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47780.
A Machine Learning Classifier for Assigning Individual Patients With Systemic Sclerosis to Intrinsic Molecular Subsets
Authors: Franks Jennifer M. , Martyanov Viktor , Cai Guoshuai , Wang Yue , Li Zhenghui , Wood Tammara A. , Whitfield Michael L. 
Published: March 2019

ObjectiveHigh‐throughput gene expression profiling of tissue samples from patients with systemic sclerosis (SSc) has identified 4 “intrinsic” gene expression subsets: inflammatory, fibroproliferative, normal‐like, and limited. Prior methods required agglomerative clustering of many samples. In order to classify individual patients in clinical trials or for diagnostic purposes, supervised methods that can assign single samples to molecular subsets are required. We undertook this study to introduce a novel machine learning classifier as a robust accurate intrinsic subset predictor.MethodsThree independent gene expression cohorts were curated and merged to create a data set covering 297 skin biopsy samples from 102 unique patients and controls, which was used to train a machine learning algorithm. We performed external validation using 3 independent SSc cohorts, including a gene expression data set generated by an independent laboratory on a different microarray platform. In total, 413 skin biopsy samples from 213 individuals were analyzed in the training and testing cohorts.ResultsRepeated cross‐fold validation identified consistent and discriminative markers using multinomial elastic net, performing with an average classification accuracy of 87.1% with high sensitivity and specificity. In external validation, the classifier achieved an average accuracy of 85.4%. Reanalyzing data from a previous study, we identified subsets of patients that represent the canonical inflammatory, fibroproliferative, and normal‐like subsets.ConclusionWe developed a highly accurate classifier for SSc molecular subsets for individual patient samples. The method can be used in SSc clinical trials to identify an intrinsic subset on individual samples. Our method provides a robust data‐driven approach to aid clinical decision‐making and interpretation of heterogeneous molecular information in SSc patients.
Metal−Organic Frameworks for High‐Energy Lithium Batteries with Enhanced Safety: Recent Progress and Future Perspectives
Authors: Zhang Xiahui , Dong Panpan , Song Min‐Kyu 
Published: March 2019

AbstractMetal−organic frameworks (MOFs) are a relatively new class of crystalline, highly‐porous organic‐inorganic hybrid materials that have been attracting increasing attention in the field of high‐energy lithium batteries. In this review, recent achievements are detailed regarding the innovative design and processing of pristine MOFs and their nanocomposites for lithium−sulfur and lithium−oxygen batteries with high specific energy. Furthermore, the benefits and challenges associated with the applications of MOF‐based materials in solid‐state lithium‐metal batteries are discussed. Lastly, future prospects for the rational design and manufacturing of MOF‐based materials are provided.