bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of Chiral Organosuperbase Catalysts Consisting of Two Different Organobase Functionalities
Authors: Kondoh Azusa , Oishi Masafumi , Tezuka Hikaru , Terada Masahiro 
Published: February 2020

AbstractIn the field of chiral Brønsted base catalysis, a new generation of chiral catalysts has been highly anticipated to overcome the intrinsic limitation of pronucleophiles that are applicable to the enantioselective reactions. Herein, we reveal conceptually new chiral Brønsted base catalysts consisting of two different organobase functionalities, one of which functions as an organosuperbase and the other as the substrate recognition site. Their prominent activity, which stems from the distinctive cooperative function by the two organobases in a single catalyst molecule, was demonstrated in the unprecedented enantioselective direct Mannich‐type reaction of α‐phenylthioacetate as a less acidic pronucleophile. The present achievement would provide a new guiding principle for the design and development of chiral Brønsted base catalysts and significantly broaden the utility of Brønsted base catalysis in asymmetric organic synthesis.
Dynamic performance comparison of two configurations of middle vessel batch distillation column for the separation of ethanol/propanol/butanol mixture
Authors: Narayana Mosangi Satya , Arthanareeswaran Gangasalam , Sankar Rao Chinta 
Published: February 2020

AbstractThis paper deals with Aspen Plus and Aspen Dynamics of the middle vessel batch distillation for the separation of mixtures of ethanol/propanol/butanol. Two configurations of middle vessel batch distillation have been considered, namely, the conventional middle vessel batch distillation (Configuration 1) and the modified middle vessel batch distillation column (Configuration 2). Steady‐state simulations have been performed in Aspen Plus and exported to Aspen Dynamics for dynamic simulation. Dynamic studies show that Configuration 1 requires less time than Configuration 2 to obtain more than 95% of the compositions of ethanol, propanol, and butanol. The efficacy of the two controllers is assessed by the performance indices of integral of square error, integral of absolute error, and integral of time‐weighted absolute error. Configuration 1 is found to have better performance than Configuration 2.
Kinetic study on the synergistic effect between molecular weight and phosphorus content of flame retardant copolyesters in solid‐state polymerization
Authors: Ji Hong , Gan Yu , Kumi Alex Kwasi , Chen Kang , Zhang Yang , Zhang Yue , Zhang Yumei , Wang Huaping 
Published: February 2020

Abstract2‐Carboxyethyl(phenyl phosphinic) acid has been proved to modify flame retardant properties of poly(ethylene terephthalate) (PET) through copolymerization; however, there is no industrial technological breakthroughs in polyester industrial yarns which requires high strength and modulus, because it is related to the coordinated control of molecular weight and flame retardancy. In this work, the influence of solid‐state polymerization reaction kinetics and parameters on flame retardancy retention have been investigated, based on the prepared precursors optimized at 6,000 ppm phosphorus content and 0.64 dL/g intrinsic viscosity (I.V). Results showed that the copolyester polydispersity index increase was significant compared to PET with molecular weight increase. The I.V of optimized precursor could be increased to 1.31 dL/g at 220°C in 20 hr, but at higher phosphorus content loses up to 7%. Flame retardant component deteriorates with increasing reaction rate and temperature as a result of severe side reactions. Optimized precursor at the optimum temperature (210°C) reacted for 20 hr, copolyester with the phosphorus content of 5,910 ppm and the I.V of 1.12 dL/g (( was about 3.5 × 104 g/mol) was prepared. The coordination between high molecular weight and flame retardant performance was realized.
A fishing expedition to discover the pollinators of several subtropical Apocynaceae
Authors: Koptur Suzanne , Barrios Beyte , Valdes Imeña , Nusrat Maha 
Published: February 2020

PremiseFlowers of the Apocynaceae (milkweed family) have complex structures and pollination mechanisms. Pollen removal and deposition in Angadenia, Pentalinon, and Echites are similar, with anthers releasing pollen onto the sterile style head. The mid‐style head excretes a glue that coats the mouthparts of vistors to aid in the transfer of pollen. Subsequent probes may deposit pollen on the receptive stigmatic surface on the lowest part of the style head, with fertilization resulting after pollination by compatible pollen.MethodsBy employing fishing line of different diameters, which reflected the diameters of the mouthparts of the different insect visitors, we determined the widths best able to remove and deposit pollen, thereby revealing which of the visitors could be effective pollinators, and which may be only nectar robbers.ResultsWe previously found that mouthpart (proboscis) width is correlated with pollen transfer effectiveness in Angadenia berteroi and confirmed this here in two other species, Pentalinon luteum and Echites umbellatus. Our data allowed the prediction of the most effective pollinators of these two other species.DiscussionThe simulation of flower visitor mouthparts using fishing line can provide useful data for evaluating the potential for effective pollen removal and deposition by different visitors.
Zinc‐catalyzed transformation of diarylphosphoryl azides to diarylphosphate esters and amides
Authors: Ying Jun , Gao Qian , Wu Xiao‐Feng 
Published: February 2020

AbstractWe have developed a facile and efficient procedure for the synthesis of diarylphosphate esters and amides. Using Zn(acac)2 as the catalyst, the reaction of diarylphosphoryl azides with aliphatic alcohols and phenols through an unusual P−N bond cleavage provided a number of diarylphosphate esters in good yields (22 examples, up to 94%). Additionally, various diarylphosphate amides were obtained from the corresponding amines in excellent yields as well (8 examples, up to 96%).
Hepatocellular carcinoma tumour burden score to stratify prognosis after resection
Authors: Tsilimigras D I , Moris D , Hyer J M , Bagante F , Sahara K , Moro A , Paredes A Z , Mehta R , Ratti F , Marques H P , Silva S , Soubrane O , Lam V , Poultsides G A , Popescu I , Alexandrescu S , Martel G , Workneh A , Guglielmi A , Hugh T , Aldrighetti L , Endo I , Sasaki K , Rodarte A I , Aucejo F N , Pawlik T M 
Published: February 2020

Abstract

Background
Although the Barcelona Clinic Liver Cancer (BCLC) staging system has been largely adopted in clinical practice, recent studies have emphasized the need for further refinement and subclassification of this system.

Methods
Patients who underwent hepatectomy with curative intent for BCLC-0, -A or -B hepatocellular carcinoma (HCC) between 2000 and 2017 were identified using a multi-institutional database. The tumour burden score (TBS) was calculated, and overall survival (OS) was examined in relation to TBS and BCLC stage.

Results
Among 1053 patients, 63 (6·0 per cent) had BCLC-0, 826 (78·4 per cent) BCLC-A and 164 (15·6 per cent) had BCLC-B HCC. OS worsened incrementally with higher TBS (5-year OS 77·9, 61 and 39 per cent for low, medium and high TBS respectively; P &lt; 0·001). No differences in OS were noted among patients with similar TBS, irrespective of BCLC stage (61·6 versus 58·9 per cent for BCLC-A/medium TBS versus BCLC-B/medium TBS, P = 0·930; 45 versus 13 per cent for BCLC-A/high TBS versus BCLC-B/high TBS, P = 0·175). Patients with BCLC-B HCC and a medium TBS had better OS than those with BCLC-A disease and a high TBS (58·9 versus 45 per cent; P = 0·005). On multivariable analysis, TBS remained associated with OS among patients with BCLC-A (medium TBS: hazard ratio (HR) 2·07, 95 per cent c.i. 1·42 to 3·02, P &lt; 0·001; high TBS: HR 4·05, 2·40 to 6·82, P &lt; 0·001) and BCLC-B (high TBS: HR 3·85, 2·03 to 7·30; P &lt; 0·001) HCC. TBS could also stratify prognosis among patients in an external validation cohort (5-year OS 79, 51·2 and 28 per cent for low, medium and high TBS respectively; P = 0·010).

Conclusion
The prognosis of patients with HCC varied according to the BCLC stage but was largely dependent on the TBS.
Cardiofaciocutaneous syndrome with rare structural variant in DOCK8 gene associated with neurodevelopmental disorders
Authors: Dell'Edera Domenico , Debellis Lucantonio , Mitidieri Angela , Anna Epifania Annunziata , Cuscianna Eustachio , Allegretti Arianna 
Published: February 2020

AbstractWe describe a girl with clinical signs of cardiofaciocutaneous syndrome who simultaneously presents a mutation in the BRAF gene and a 9p24.3 microduplication. This genetic condition has never been described in the literature and could explain the phenotypic variability observed in the girl.
Selective Hydrogenation of Aromatic Ketone over Pt@Y Zeolite through Restricted Adsorption Conformation of Reactants by Zeolitic Micropores
Authors: Chen Qiang , Kang Haozhe , Liu Xuan , Jiang Kun , Bi Yunfei , Zhou Yiming , Wang Mengyue , Zhang Meng , Liu Lei , Xing Enhui 
Published: February 2020

AbstractWith thermodynamically favorable prevailing flat‐lying adsorption of aromatic ketone molecules on Pt/Y catalyst via π‐electron interaction, the 100 % selective hydrogenation toward aromatic alcohols is hardly achieved because of competitive hydrogenation on benzene rings. Here we developed a general method to prepare encapsulated Pt nanoparticles into Y Zeolite (Pt@Y), which provided a novel method to retard hydrogenation of benzene rings via thermodynamically unfavorable end‐on adsorption conformation for almost 100 % selectivity from aromatic ketones to aromatic alcohols even at conversion close to 100 %.
Regulating Aromatic Alcohols Distributions by Cofeeding Methanol with Ethanol over Cobalt‐Hydroxyapatite Catalyst
Authors: Zhou Bai‐Chuan , Wang Qing‐Nan , Weng Xue‐Fei , He Lei , Li Wen‐Cui , Lu An‐Hui 
Published: February 2020

AbstractAromatic alcohols, often used for the synthesis of plasticizers, coatings and pharmaceuticals, are currently produced from the oxidation of petroleum‐derived aromatic hydrocarbons. Herein, we report a non‐petroleum and environmentally friendly route for the production of aromatic alcohols: cofeeding methanol with ethanol over cobalt‐hydroxyapatite catalyst, in which the distribution of aromatic alcohols products can be regulated by varying methanol pressure. Co species on hydroxyapatite can activate both methanol and ethanol to yield their corresponding aldehydes (formaldehyde and acetaldehyde). The followed cross‐ and self‐condensations of aldehydes are catalyzed by hydroxyapatite to produce acrolein and 2‐butenal, which are the key intermediates for the formation of aromatic oxygenates. The sequential cross‐condensation and dehydrocyclization of acrolein and 2‐butenal yield benzaldehyde, which is then hydrogenated to benzyl alcohol. The direct production of benzyl alcohol from methanol and ethanol could be regarded as a cutting‐edge example, which ensures a promising route for sustainable aromatic alcohols production.
Additive‐Free Formic Acid Dehydrogenation Using a Pincer‐Supported Iron Catalyst
Authors: Curley Julia B. , Bernskoetter Wesley H. , Hazari Nilay 
Published: February 2020

AbstractThe iron complex (iPrPNMeP)Fe(H)2(CO) (iPrPNMeP=CH3N(CH2CH2PiPr2)2), which features a pincer ligand with a tertiary amine, can give up to 100,000 turnovers for additive‐free formic acid dehydrogenation (FADH). This is two orders of magnitude higher than any previously reported base metal system. Mechanistic studies reveal the catalytic reaction pathway and provide guidance for the development of improved catalytic systems for additive‐free FADH.
Comminution of Wood – Influence of Process Parameters
Authors: Eisenlauer Moritz , Teipel Ulrich 
Published: February 2020

AbstractAn essential element for sustainable use of renewable resources is an efficient comminution process for which the relation between energy input and size reduction is of great importance. Fine comminution of beech, oak, and spruce wood chips in cutting and hammer mills at different moisture content levels is investigated. The influence of the different process parameters as well as the size reduction performed by the hammer and cutting mill on the specific comminution energy is reported and the particulate properties of the comminution products are reported. Considering the energy requirements, functional relations were derived from the experimental results, which describe the relation between comminution energy and size reduction.
Numerical Investigation of Funicular Liquid Bridge Interactions Between Spherical Particles
Authors: Di Renzo Alberto , Picarelli Giada , Di Maio Francesco P. 
Published: February 2020

AbstractIn industrial processing of wet particulate materials, the liquid governs the formation, growth, and breakup of particle agglomerates. Pendular liquid bridges between two particles have been extensively investigated in the literature. Despite the interest, the complexities in the funicular regime, which involve multiple spheres, have remained mostly uncovered. Validated numerical simulations are utilized herein to examine funicular liquid bridge shapes, interaction forces, and rupture conditions as functions of the liquid volume, pressure difference, interparticle distance, and contact angle for three‐sphere and four‐sphere arrangements, including the presence of a particle of different size. The agglomerate strength is quantitatively characterized for a broad range of conditions.
Structure‐Guided Design of a Group B Streptococcus Type III Synthetic Glycan–Conjugate Vaccine
Authors: Oldrini Davide , del Bino Linda , Arda Ana , Carboni Filippo , Henriques Pedro , Angiolini Francesca , Quintana Jon I. , Calloni Ilaria , Romano Maria R. , Berti Francesco , Jimenez‐Barbero Jesus , Margarit Immaculada , Adamo Roberto 
Published: February 2020

AbstractIdentification of glycan functional epitopes is of paramount importance for rational design of glycoconjugate vaccines. We recently mapped the structural epitope of the capsular polysaccharide from type III Group B Streptococcus (GBSIII), a major cause of invasive disease in newborns, by using a dimer fragment (composed of two pentasaccharide repeating units) obtained by depolymerization complexed with a protective mAb. Although reported data had suggested a highly complex epitope contained in a helical structure composed of more than four repeating units, we showed that such dimer conjugated to a carrier protein with a proper glycosylation degree elicited functional antibodies comparably to the full‐length conjugated polysaccharide. Here, starting from the X‐ray crystallographic structure of the polysaccharide fragment–mAb complex, we synthesized a hexasaccharide comprising exclusively the relevant positions involved in binding. Combining competitive surface plasmon resonance and saturation transfer difference NMR spectroscopy as well as in‐silico modeling, we demonstrated that this synthetic glycan was recognized by the mAb similarly to the dimer. The hexasaccharide conjugated to CRM197, a mutant of diphtheria toxin, elicited a robust functional immune response that was not inferior to the polysaccharide conjugate, indicating that it may suffice as a vaccine antigen. This is the first evidence of an X‐ray crystallography‐guided design of a synthetic carbohydrate‐based conjugate vaccine.
Synthesis, Labeling and Preclinical Evaluation of a Squaric Acid Containing PSMA Inhibitor Labeled with 68Ga: A Comparison with PSMA‐11 and PSMA‐617
Authors: Greifenstein Lukas , Engelbogen Nils , Lahnif Hanane , Sinnes Jean‐Philippe , Bergmann Ralf , Bachmann Michael , Rösch Frank 
Published: February 2020

AbstractThe L‐lysine urea‐L‐glutamate (KuE) represents a key motif in recent diagnostic and therapeutic radiopharmaceuticals targeting the prostate specific membrane antigen (PSMA). Using a squaric acid moiety for coupling of KuE with a radioactive label, the squaric acid as a linker in the PSMA ligand seems to mimic the aromatic structure of the naphthylalanine unit on PSMA‐617. In this work, we investigate the influence of squaric acid moiety on the biological activity of the compound carrying a KuE motif and three typical chelates. The derivatives TRAM.SA.KuE, DOTAGA.SA.KuE and NODAGA.SA.KuE were all synthesized in straightforward organic reactions and purified by HPLC afterward. Different amounts of tracer were labeled at different temperatures with 68Ga. PET examinations were performed on NMRInu/nu nude mice with an LNCaP tumor on the right hind leg including ex vivo investigations of the organs. For comparison, 68Ga‐derivatives of PSMA‐11 and PSMA‐617, the derivatives most commonly used in clinics, were investigated in the same animal model.
Structure tuning method on deep convolutional generative adversarial network with nondominated sorting genetic algorithm II
Authors: Du Lei , Cui Zhihua , Wang Lifang , Ma Junming 
Published: February 2020

AbstractCurrently the generative adversarial networks (GANs) have rapidly become a popular research hotspot that people concerned and have been applied to various fields. Lots of meaningful work have been proposed and various variants of GANs sprung up in last few years. The scholars usually design GAN structure like the layers and hyperparameters setting according to the experience and constantly attempts. For the propose of finding the appropriate structure more conveniently and efficiently. A method with multiobjective algorithm is proposed to obtain the optimal structure for the GANs. In the proposed method, the nondominated sorting genetic algorithm II (NSGA‐II) is utilized to optimize the hyperparameters and structure of deep convolutional generative adversarial network (DCGAN). The experiments are conducted on MNIST and Malware datasets demonstrate the efficiency and high performance of proposed method.
Improving hexaploid spring wheat by introgression of alleles for yield component traits from durum wheat
Authors: Jones Brittney H. , Blake Nancy K. , Heo Hwa‐Young , Kalous Jay R. , Martin John M. , Torrion Jessica A. , Talbert Luther E. 
Published: February 2020

AbstractHexaploid bread wheat (Triticum aestivum L.) and tetraploid durum wheat (Triticum durum Desf.) have been cultivated in similar geographic areas for ∼10,000 yr. The crossing barrier caused by ploidy difference suggests that different favorable alleles for yield‐related traits may have accumulated in the two crops. Previous work allowed identification of favorable alleles at six quantitative trait loci (QTL) from durum wheat in a recombinant inbred line (RIL) population from a cross of ‘Mountrail’ durum and ‘Choteau’ spring wheat. The purpose of this study was to determine the impact of six durum alleles at yield component QTL in several spring wheat backgrounds. Three spring wheat cultivars were crossed with six hexaploid lines derived from the original Choteau/Mountrail cross to generate RILs. Heterozygous RILs, containing both the durum and the bread wheat alleles, were identified for each of the QTL. The heterozygous RILs were used to develop near‐isogenic lines (NILs) for the six introgressed QTL. The NILs were grown in five environments under irrigated and rainfed conditions in Montana in 2017 and 2018. A durum allele QTL on chromosome 3B resulted in increased kernel weight in all five environments. The introgressed durum QTL alleles caused pleiotropic interactions among yield component traits. Environment and genetic background significantly affected the stability of introgressed QTL on yield components for four of the six QTL. Results suggest that alleles from durum may be useful for yield improvement of hexaploid spring wheat. However, interrelationships of yield components, pleiotropic interactions, and environment will affect the value of durum wheat alleles in hexaploid wheat backgrounds.
Prospects of Value‐Added Chemicals and Hydrogen via Electrolysis
Authors: Garlyyev Batyr , Xue Song , Fichtner Johannes , Bandarenka Aliaksandr S. , Andronescu Corina 
Published: February 2020

AbstractCost is a major drawback that limits the industrial‐scale hydrogen production through water electrolysis. The overall cost of this technology can be decreased by coupling the electrosynthesis of value‐added chemicals at the anode side with electrolytic hydrogen generation at the cathode. This Minireview provides a directory of anodic oxidation reactions that can be combined with cathodic hydrogen generation. The important parameters for selecting the anodic reactions, such as choice of catalyst material and its selectivity towards specific products are elaborated in detail. Furthermore, various novel electrolysis cell architectures for effortless separation of value‐added products from hydrogen gas are described.
Should ecologists prefer model‐ over distance‐based multivariate methods?
Authors: Jupke Jonathan F. , Schäfer Ralf B. 
Published: February 2020

AbstractEcological data sets often record the abundance of species, together with a set of explanatory variables. Multivariate statistical methods are optimal to analyze such data and are thus frequently used in ecology for exploration, visualization, and inference. Most approaches are based on pairwise distance matrices instead of the sites‐by‐species matrix, which stands in stark contrast to univariate statistics, where data models, assuming specific distributions, are the norm. However, through advances in statistical theory and computational power, models for multivariate data have gained traction. Systematic simulation‐based performance evaluations of these methods are important as guides for practitioners but still lacking. Here, we compare two model‐based methods, multivariate generalized linear models (MvGLMs) and constrained quadratic ordination (CQO), with two distance‐based methods, distance‐based redundancy analysis (dbRDA) and canonical correspondence analysis (CCA). We studied the performance of the methods to discriminate between causal variables and noise variables for 190 simulated data sets covering different sample sizes and data distributions. MvGLM and dbRDA differentiated accurately between causal and noise variables. The former had the lowest false‐positive rate (0.008), while the latter had the lowest false‐negative rate (0.027). CQO and CCA had the highest false‐negative rate (0.291) and false‐positive rate (0.256), respectively, where these error rates were typically high for data sets with linear responses. Our study shows that both model‐ and distance‐based methods have their place in the ecologist's statistical toolbox. MvGLM and dbRDA are reliable for analyzing species–environment relations, whereas both CQO and CCA exhibited considerable flaws, especially with linear environmental gradients.