bluuebunny/crossref_metadata_2025_split huggingface dataset:
Trapping Aluminum Hydroxide Clusters with Trisilanols during Speciation in Aluminum(III)–Water Systems: Reproducible, Large Scale Access to Molecular Aluminate Models
Authors: Lokare Kapil Shyam , Frank Nicolas , Braun‐Cula Beatrice , Goikoetxea Itziar , Sauer Joachim , Limberg Christian 
Published: July 2016

AbstractTo gain molecular level insights into the properties of certain functions and units of extended oxides/hydroxides, suitable molecular model compounds are needed. As an attractive route to access such compounds the trapping of early intermediates during the hydrolysis of suitable precursor compounds with the aid of stabilizing ligands is conceivable, which was tested for the aluminum(III)/water system. Indeed, trisilanols proved suitable trapping reagents: their presence during the hydrolysis of AliBu2H in dependence on the amount of water used allowed for the isolation of tri‐ and octanuclear aluminum hydroxide cluster complexes [Al3(μ2‐OH)3(THF)3(PhSi(OSiPh2O)3)2] (1) and [Al8(μ3‐OH)2(μ2‐OH)10(THF)3(p‐anisylSi(OSiPh2O)3)4] (2). 1 can be regarded as the Al(OH)3 cyclic trimer, where six protons have been replaced by silyl residues. While 2 features a unique [Al8(μ3‐OH)2(μ2‐OH)10]12+ core. In contrast to most other known aggregates of this type, 1 and 2 can be readily prepared at reasonable scales, dissolve in common solvents, and retain an intact framework even in the presence of excessive amounts of water. This finding paves the way to future research addressing the reactivity of the individual functional groups.
Functional silk fabric for detection and absorption of Zn(II)
Authors: Ke Fuyou , Chen Hao , Guang Shanyi , Xu Hongyao 
Published: July 2016

ABSTRACTTwo reactive dyes (P1 and P2) based on salicyladehyde‐4‐amino‐benzoylhydrazone, which show high sensitivity and selectivity in sensing Zn2+, were synthesized and used to modify nonwoven silk fabrics. The prepared silk fabric was then characterized by IR, UV‐Vis, and fluorescence measurements. The results showed that reactive dyes were chemically reacted with silk fibers, rather than physical absorption. Moreover, compared with raw silk fabric, functional silk fabric was bestowed the properties of Zn2+ detection and improved absorption capacity of Zn2+. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43952.
Superhydrophobic surfaces with silane‐treated diatomaceous earth/resin systems
Authors: Perera Helanka J. , Khatiwada Bal K. , Paul Abhijit , Mortazavian Hamid , Blum Frank D. 
Published: July 2016

ABSTRACTSuperhydrophobic coatings were prepared using fluorosilane‐treated diatomaceous earth (DE) with either polyurethane or epoxy binders. The surface wettability and morphology of the films were analyzed using contact angle measurements and scanning electron microscopy (SEM), respectively. The water contact angles were studied as a function of the fluorocarbon fraction on DE and the particle loadings of treated DE in the coating. The contact angles exceeded 150° for coatings with at least 0.02 fluorocarbon fraction (mass of fluorosilane/mass of particle) on the DE and with 0.2 particle loadings (mass of treated particles/mass of coating). The water contact angles of the surfaces were dependent on the nature of the binder below 0.2 particle loadings of the superhydrophobic DE particles, but were independent of the binder type after attaining superhydrophobicity. The results were consistent with the superhydrophobicity resulting from the migration of the superhydrophobic DE moving to and covering the surfaces completely. It was also shown that the treatment with fluorosilanes restricted the pores in DE and reduces the specific surface area of the material. However, these changes had effectively no effect on the superhydrophobicity of the coatings. The results of this work clearly identify some important considerations relative to producing superhydrophobic coatings from inexpensive diatomaceous earth. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44072.
A possible linkage of the western North Pacific summer monsoon with the North Pacific Gyre Oscillation
Authors: Zhang Wei , Luo Ming 
Published: July 2016

AbstractThis study examines possible links between the western North Pacific summer monsoon (WNPSM) and the North Pacific Gyre Oscillation (NPGO). Our research findings are summarized as follows: (1) In addition to the Central Pacific El Niño, the WNPSM also exerts significant modulation on the NPGO. (2) A time lag is detected in the association between the WNPSM and the NPGO. The WNPSM in JJAS (from June to September) has significant impacts on the NPGO in MAM (from March to May) of the following year. (3) The wave train patterns forced by the WNPSM that are being integrated by the ocean mixed layer may be responsible for the lagged response of the NPGO.
Recent Developments in the Preparation of Carbohydrate Derivatives from Achiral Building Blocks by using Aldolases
Authors: Busto Eduardo 
Published: July 2016

AbstractThe central role of carbohydrates in medicinal chemistry has stimulated intensive research in the last few years to develop simpler and more efficient routes for their preparation. Among them, routes starting from simple and achiral building blocks have received particular attention considering their efficiency in terms of cost process and atom economy. Recent developments in the field of biocatalytic asymmetric aldol reactions have allowed the preparation of complex carbohydrate derivatives with high degrees of sophistication (up to five chiral centers). Starting from simple and achiral building blocks, such as dihydroxyacetone, glycolaldehyde, and formaldehyde, the reactions were found to proceed under complete stereocontrol. The aim of this review is to cover the most significant advances in the preparation of carbohydrate derivatives through asymmetric aldol reactions within the last five years. Selected examples include the preparation of rare natural d‐sugars such as d‐psicose, non‐natural l‐sugars and azasugars, as well as iminocyclitols or homo(iminocyclitols), C‐arylcarbohydrates, etc.
Energy‐Saving Hydrocarbon Distillation with Coupled Heat and Material Flows
Authors: Timoshenko Andrey , Anokhina Elena , Akhapkina Olga 
Published: July 2016

AbstractHigh energy consumption during distillation is a problem in petrochemical and refining industry. Therefore, the distillation of hydrocarbons was investigated with the aim to reduce the energy consumption by applying columns with fully or partially thermally coupled heat and material flows. The elements of downstream processes were considered, such as the separation of catalytic cracking gas and the recovery of benzene from petroleum and coking coal products by extractive distillation with N‐methylpyrrolidone. It was found that the thermally coupled columns applied for the separation reduced the energy consumption for catalytic cracking gas separation by up to 13.1 % and for benzene recovery by up to 28.7 %.
Comparison of Hydrogen and Gold Bonding in [XHX]−, [XAuX]−, and Isoelectronic [NgHNg]+, [NgAuNg]+(X=Halogen, Ng=Noble Gas)
Authors: Grabowski Sławomir J. , Ugalde Jesus M. , Andrada Diego M. , Frenking Gernot 
Published: July 2016

AbstractQuantum chemical calculations at the MP2/aug‐cc‐pVTZ and CCSD(T)/aug‐cc‐pVTZ levels have been carried out for the title compounds. The electronic structures were analyzed with a variety of charge and energy partitioning methods. All molecules possess linear equilibrium structures with D∞hsymmetry. The total bond dissociation energies (BDEs) of the strongly bonded halogen anions [XHX]−and [XAuX]−decrease from [FHF]−to [IHI]−and from [FAuF]−to [IAuI]−. The BDEs of the noble gas compounds [NgHNg]+and [NgAuNg]+become larger for the heavier atoms. The central hydrogen and gold atoms carry partial positive charges in the cations and even in the anions, except for [IAuI]−, in which case the gold atom has a small negative charge of −0.03 e. The molecular electrostatic potentials reveal that the regions of the most positive or negative charges may not agree with the partial charges of the atoms, because the spatial distribution of the electronic charge needs to be considered. The bonding analysis with the QTAIM method suggests a significant covalent character for the hydrogen bonds to the noble gas atoms in [NgHNg]+and to the halogen atoms in [XHX]−. The covalent character of the bonding in the gold systems [NgAuNg]+and [XAuX]−is smaller than in the hydrogen compound. The energy decomposition analysis suggests that the lighter hydrogen systems possess dative bonds X−→H+←X−or Ng→H+←Ng while the heavier homologues exhibit electron sharing through two‐electron, three‐center bonds. Dative bonds X−→Au+←X−and Ng→Au+←Ng are also diagnosed for the lighter gold systems, but the heavier compounds possess electron‐shared bonds.
Ultrafast Preparation of Monodisperse Fe3O4 Nanoparticles by Microwave‐Assisted Thermal Decomposition
Authors: Liang Yi‐Jun , Zhang Yu , Guo Zhirui , Xie Jun , Bai Tingting , Zou Jiemeng , Gu Ning 
Published: July 2016

AbstractThermal decomposition, as the main synthetic procedure for the synthesis of magnetic nanoparticles (NPs), is facing several problems, such as high reaction temperatures and time consumption. An improved a microwave‐assisted thermal decomposition procedure has been developed by which monodisperse Fe3O4 NPs could be rapidly produced at a low aging temperature with high yield (90.1 %). The as‐synthesized NPs show excellent inductive heating and MRI properties in vitro. In contrast, Fe3O4 NPs synthesized by classical thermal decomposition were obtained in very low yield (20.3 %) with an overall poor quality. It was found for the first time that, besides precursors and solvents, magnetic NPs themselves could be heated by microwave irradiation during the synthetic process. These findings were demonstrated by a series of microwave‐heating experiments, Raman spectroscopy and vector‐network analysis, indicating that the initially formed magnetic Fe3O4 particles were able to transform microwave energy into heat directly and, thus, contribute to the nanoparticle growth.
Generation and characterization of tamoxifen‐inducible Pax9‐CreER knock‐in mice using CrispR/Cas9
Authors: Feng Jifan , Jing Junjun , Sanchez‐Lara Pedro A. , Bootwalla Moiz S. , Buckley Jonathan , Wu Nancy , Yan Youzhen , Chai Yang 
Published: July 2016

AbstractPax9 encodes a paired‐box homeodomain (Pax) transcription factor and is critical for the development of multiple organs. Using CrispR/Cas9‐mediated homologous directed repair (HDR), we generated a new Pax9‐CreER knock‐in mouse line in which the CreERT2 fusion protein is produced after synthesis of endogenous Pax9 protein. We found that tdTomato reporter expression in Pax9‐CreER;tdTomato reporter mice is detectable in a similar pattern to the endogenous Pax9 expression, faithfully recapitulating the Pax9 expression domains throughout the embryo and in the adult mouse. At early embryonic stages, the tdTomato reporter is expressed first in the pharyngeal pouch region and later in the craniofacial mesenchyme, somites, limbs, and lingual papillae in the adult tongue. These results demonstrate that this new Pax9‐CreER knock‐in mouse line can be used for lineage tracing and genetic targeting of Pax9‐expressing cells and their progeny in a temporally and spatially controlled manner during development and organogenesis.
Evidence of weaker phenotypic plasticity by prey to novel cues from non‐native predators
Authors: Hollander Johan , Bourdeau Paul E. 
Published: July 2016

AbstractA central question in evolutionary biology is how coevolutionary history between predator and prey influences their interactions. Contemporary global change and range expansion of exotic organisms impose a great challenge for prey species, which are increasingly exposed to invading non‐native predators, with which they share no evolutionary history. Here, we complete a comprehensive survey of empirical studies of coevolved and naive predator−prey interactions to assess whether a shared evolutionary history with predators influences the magnitude of predator‐induced defenses mounted by prey. Using marine bivalves and gastropods as model prey, we found that coevolved prey and predator‐naive prey showed large discrepancies in magnitude of predator‐induced phenotypic plasticity. Although naive prey, predominantly among bivalve species, did exhibit some level of plasticity – prey exposed to native predators showed significantly larger amounts of phenotypic plasticity. We discuss these results and the implications they may have for native communities and ecosystems.
Seeing Molecular Configuration in Twisted Crystal Form
Authors: Kahr Bart , Shtukenberg Alexander G. 
Published: July 2016

AbstractStructural chemistry began with Louis Pasteur, who first saw the configuration of molecules manifest in the shapes of crystals. Here is reviewed forgotten, century‐old efforts to make molecular configuration vivid in polycrystalline ensembles. Resorcinol, and a variety of other simple molecular crystals, when grown from the melt in the presence of resolved chiral additives, such as tartaric acids, form spectacular bull's‐eye patterns evident in the petrographic microscope. Concentric, rhythmic optical bands in so‐called banded spherulites are tell‐tale signs of the twisting of helicoidal crystalline lamellae. The sense of twisting was assayed by correlating displacements of extinction bands on rotation with additive configurations. Thus, the arrangements of atoms in space were made manifest in crystal form – not in the appearance of hemihedral facets, but rather, in the chirality of nonclassical morphologies with Gaussian curvature. The far reaching consequences of these experiments for molecular crystal growth and form, long ago foreseen, are evaluated with the hindsight of an extra century of experience and sophistication. The narrative aims to draw a continuous thread through the work of Pasteur, Grigorii Vyroubov, Frédéric Wallerant, John Monteath Robertson, Hélène Metzger, and Jack Dunitz.
A Copper Story: From Protein Folding and Metal Transport to Cancer
Authors: Wittung‐Stafshede Pernilla 
Published: July 2016

AbstractEnzymes need to fold into unique three‐dimensional structures in order to function. Copper ions are cofactors in many essential enzymes. Such enzymes need to couple polypeptide folding with metal incorporation, as the metal sites are often integrated within the folded structure. Since free copper ions are toxic, most organisms have highly specialized copper transport systems. The human cytoplasmic copper chaperone Atox1 delivers copper to P1B‐type ATPases in the Golgi, for incorporation into copper‐dependent enzymes following the secretory path. Copper plays key roles in cancer development, as copper‐dependent enzymes are needed for tumor growth and metastasis. In addition, platinum‐based drugs are exported out of cells by the copper transport machinery. Recent findings also imply that some copper transport proteins regulate cell growth and development. In this brief journey of my later career, I will discuss the roles of copper in protein folding, mechanisms of copper ion transport, and cisplatin hitchhiking. The identification of new partners for Atox1 underscore the importance of further research in this area for combating cancer.
Fetal sex determination using NIPT and ultrasound as a method for diagnosing important fetal sex abnormalities
Authors: Lynch Tara A. , Ruzzo Kathleen , Sack Virginia , Rijhsinghani Asha 
Published: July 2016

What's Already Known About This Topic?

Cell‐free fetal DNA reports include analysis of fetal sex chromosomes.
What Does This Study Add?

In patients that have non-invasive prenatal testing performed, ultrasound determination of fetal genitalia can lead to prenatal diagnosis of anomalies affecting the urogenital system.
Kidney anomalies diagnosed by prenatal ultrasound screening and associated non‐urinary malformations: a nationwide prevalence study
Authors: Rasmussen Maria , Olsen Morten Smærup , Sunde Lone , Sperling Lene Søndergård ,   Danish Fetal Medicine Research Group, Petersen Olav Bjørn 
Published: July 2016

AbstractObjectivesTo estimate the prevalence of kidney anomalies at second trimester ultrasound screening, and furthermore, to investigate pregnancy outcomes and the pattern of additional malformations.MethodsWe previously identified all women attending second‐trimester ultrasound scans in Denmark between 1 January 2007 and 31 December 2012. Using the Astraia databases and the Danish National Patient Registry, we identified all fetuses with kidney anomalies diagnosed prenatally in these women.In addition to the prevalence of fetuses with kidney anomalies, we estimated the live birth prevalence ratio of non‐urinary malformations, comparing the prevalences in infants with and without prenatally diagnosed kidney anomalies.ResultsThe prevalence of fetuses with kidney anomalies at second trimester scans was 11.4 per 10 000 fetuses. Among the 412 fetuses identified, 127 pregnancies were terminated. For live born children the prevalence of additional non‐urinary malformations was four times higher (95% CI: 3–5) compared with the prevalence among children without prenatal kidney anomalies. Digestive system anomalies were particularly prevalent.ConclusionThese population‐based data provide additional insight into the course of pregnancy and birth outcomes following prenatal diagnoses of kidney anomalies. © 2016 John Wiley & Sons, Ltd.
Extending System Readiness Levels to Assess and Communicate Human Readiness
Authors: Miller Michael , Thomas Seth , Rusnock Christina 
Published: July 2016

ABSTRACTProgram managers need to understand the maturity of all aspects of their system to make intelligent investment decisions during product development. Technology Readiness Levels (TRL) are regularly applied to classify and communicate the state of technology development and to guide investment during technology and system development. This concept has recently been extended to include integration readiness to understand the maturity of the interfaces between technology components in a system. However, these methods do not consider whether human interfaces to the system have been fully matured. The current research extends the TRL and Integration Readiness Level (IRL) concepts to include the human elements of the system. The method proposes two concepts: the Human Capability Level and the Human IRL. The Human Capability Level refers to the capability of a system to reliably provide well equipped personnel with sufficient skills and the ability to perform successfully with the system. The Human Integration Readiness Level refers to the demonstration of effective human integration with system technologies. Each of these concepts are then combined with previous work to demonstrate the development of a System Readiness Level, which includes technology and human elements. We show that these Human Capability and Integration Level concepts can be used in conjunction with the existing TRL and IRL concepts to compare the relative maturity of components of the system for supporting each class of human users as well as performing its technical functions.
AlNbBr8 – Preparation, Crystal Structure, and Vapor Pressure Studies
Authors: Rogachev Alexander V. , Zelenina Ludmila N. , Chusova Tamara P. , Virovets Alexander V. , Sokolov Maxim N. 
Published: July 2016

Abstract The ternary niobium compound AlNbBr8 (1) was synthesized by degradation of NbS2Br2 in AlBr3 and from elements. Crystal structure and thermodynamic properties of sublimation process were studied.
Stimulus frequency-dependent inhibition of micturition contractions of the urinary bladder by electrical stimulation of afferent Aβ, Aδ, and C fibers in cutaneous branches of the pudendal nerve
Authors: Onda Akiko , Uchida Sae , Suzuki Harue , Hotta Harumi 
Published: July 2016

Abstract
We aimed to examine the afferent mechanisms for the reflex inhibition of the rhythmic micturition contractions (RMCs) of the urinary bladder induced by stimulation of the perineal skin afferents in urethane-anesthetized rats. Electrical stimulation (pulse duration: 0.5 ms) was applied to the cutaneous branches of the pudendal nerve (CBPN) at frequencies of 0.1, 1, and 10 Hz for 1 min. Nerve fiber groups were defined by recording compound action potentials from CBPN. Activation of only Aβ fibers (0.2 V) produced an inhibition of RMCs at 7–11 min after the onset of stimulation (late inhibition), at any tested frequency. Additional activation of Aδ fibers (1 V) produced additional early inhibition (immediately after stimulation) at 1 and 10 Hz. Furthermore, additional activation of C fibers (10 V) at 10 Hz completely stopped RMCs for >10 min. This strong inhibition persisted after local application of capsaicin to the stimulating CBPN. We conclude that activities of Aβ, Aδ, and C afferent fibers, without capsaicin-sensitive channels, can contribute to the inhibition of bladder contractions.
Effect of cementitious amendment on the hydrogeological behavior of a surface paste tailings’ disposal
Authors: Ichrak Hadimi , Mostafa Benzaazoua , Abdelkabir Maqsoud , Bruno Bussière 
Published: July 2016

Abstract
Surface paste disposal (SPD) can be considered as an effective alternative technique for mine waste management. The technique consists of first removing upstream water (by thickening and/or filtration) from tailings, then depositing them at the surface in a paste-like state. These techniques allow for the recycling of water, limit risks related to the failure of dikes, and favor progressive mine site rehabilitation. However, there are, thus far, only a few studies on the environmental behavior of tailings deposited using the SPD technique. To evaluate the hydrogeological and geochemical behaviors of a sulphidic tailings’ deposit simulating the SPD method, a laboratory study was performed using a physical model. Paste tailings were prepared and deposited inside the physical model in nine layers. In the first stage, only the first two bottom layers were amended with cement (2 % w/w of PC10 Portland cement). The physical model was then subjected to wetting and drying cycles, and the water collected after each flush was analysed for chemistry and its volume was measured. At the end of the 27th cycle, a tenth layer of cemented tailings was deposited on the top of the tailings’ stack. Testing was performed for 34 cycles, and then, the model was dismantled and the collected samples were analysed through a multidisciplinary fine characterisation. The results of this investigation showed that the volume of collected water at the bottom of the physical model varied over the test’s duration. This could be due to seasonal variations in the temperature and moisture of the laboratory. The cemented layer deposited on the top of the physical model appears to play the role of protecting against underlying layers from evaporation. Finally, diffuse oxidation that progressed along the preferential pathway was observed.