bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparison of the thermostability of recombinant luciferases from Brazilian bioluminescent beetles: Relationship with kinetics and bioluminescence colours
Authors: Oliveira Gabriela , Viviani Vadim R. 
Published: November 2017

AbstractFirefly luciferases have been used extensively as bioanalytical reagents and their cDNAs as reporter genes for biosensors and bioimaging, but they are in general unstable at temperatures above 30°C. In the past few years, efforts have been made to stabilize some firefly luciferases for better application as analytical reagents. Novel luciferases from different beetle families, displaying distinct bioluminescence colours and kinetics, may offer desirable alternatives to extend the range of applications. In the past years, our group has cloned the largest variety of luciferases from the three main families of bioluminescent beetles (Elateridae: P. termitilluminans, F. bruchi, P. angustus; Phengodidae: P. hirtus, P. vivianii; and Lampyridae: A. vivianii, C. distinctus and Macrolampis sp2) occurring in Brazilian biomes. We compared the thermostability of these recombinant luciferases and investigated their relationships with bioluminescence spectra and kinetics. The most thermostable luciferases were those of Pyrearinus termitilluminans larval click beetle (534 nm), Amydetes vivianii firefly (539 nm) and Phrixotrix vivianii railroad worm (546 nm), which are the most blue‐shifted examples in each family, confirming the trend that the most blue‐shifted emitting luciferases are also the most thermostable. Comparatively, commercial P. pyralis firefly luciferase was less thermostable than P. termitilluminans click beetle and A. vivianii firefly luciferases. The higher thermostability in these luciferases could be related to higher degree of hydrophobic packing and disulfide bond content (for firefly luciferases).
A sensitive fluorescence quenching method for the detection of tartrazine with acriflavine in soft drinks
Authors: Yang Huan , Ran Guihua , Yan Jingjing , Zhang Hui , Hu Xiaoli 
Published: November 2017

AbstractIn this work, a simple, rapid, sensitive, selective spectrofluorimetric method was applied to detect tartrazine. The fluorescence of acriflavine could be efficiently quenched by tartrazine. The method manifested real time response as well as presented satisfied linear relationship to tartrazine. The linear response range of tartrazine (R2 = 0.9995) was from 0.056 to 5 μmol L−1. The detection limit (3σ/k) was 0.017 μmol L−1, indicating that this method could be applied to detect traces of tartrazine. The accuracy and precision of the method was further assured by recovery studies via a standard addition method, with percentage recoveries in the range of 96.0% to 103.0%. Moreover, a quenching mechanism was investigated systematically by the linear plots at varying temperatures based on the Stern–Volmer equation, fluorescence lifetime and UV–visible absorption spectra, all of which proved to be static quenching. This sensitive, selective assay possessed a great application prospect for the food industry owing to its simplicity and rapidity for the detection of tartrazine.
Tyrosine kinase inhibitor and rituximab‐CHOP treatment for concurrent chronic myeloid leukemia and non‐Hodgkin lymphoma: a case report
Authors: Takeyasu Yuki , Satake Atsushi , Azuma Yoshiko , Tsubokura Yukie , Yoshimura Hideaki , Hotta Masaaki , Nakanishi Takahisa , Fujita Shinya , Nakaya Aya , Ito Tomoki , Nomura Shosaku 
Published: November 2017

Key Clinical MessageNon‐Hodgkin lymphoma can occur concurrently with chronic phase‐chronic myeloid leukemia (CML) at initial diagnosis. Combination treatment with second‐generation tyrosine kinase inhibitors and rituximab‐CHOP for patients newly diagnosed with CML and non‐Hodgkin lymphoma is effective for both diseases. However, we found that this treatment combination may induce severe myelosuppression.
Rationally Designed Chemically Modified Glycodendrimer Inhibits Streptococcus suis Adhesin SadP at Picomolar Concentrations
Authors: Haataja Sauli , Verma Priya , Fu Ou , Papageorgiou Anastassios C. , Pöysti Sakari , Pieters Roland J. , Nilsson Ulf J. , Finne Jukka 
Published: November 2017

AbstractHost cell surface carbohydrate receptors of bacterial adhesins are attractive targets in anti‐adhesion therapy. The affinity of carbohydrate ligands with adhesins is usually found in the low μm range, which poses a problem for the design of effective inhibitors useful in therapy. In an attempt to increase the inhibitory power of carbohydrate ligands, we have combined the approach of chemical modification of ligands with their presentation as multivalent dendrimers in the design of an inhibitor of streptococcal adhesin SadP binding to its galactosyl‐α1‐4‐galactose (galabiose) receptor. By using a phenylurea‐modified galabiose‐containing trisaccharide in a tetravalent dendrimeric scaffold, inhibition of adhesin at a low picomolar level was achieved. This study has resulted in one of the most potent inhibitors observed for bacterial adhesins and demonstrates a promising approach to develop anti‐adhesives with the potential of practical applicability.
Probing Synergistic Effects of DNA Methylation and 2′‐β‐Fluorination on i‐Motif Stability
Authors: Abou Assi Hala , Lin Yu Chen , Serrano Israel , González Carlos , Damha Masad J. 
Published: November 2017

AbstractThe possible role of DNA i‐motif structures in telomere biology and in the transcriptional regulation of oncogene promoter regions is supported by several recent studies. Herein we investigate the effect of four cytidine nucleosides (and combinations thereof) on i‐motif structure and stability, namely 2′‐deoxycytidine (dC), 2′‐deoxy‐5‐methyl‐cytidine (5‐Me‐dC), 2′‐deoxy‐2′‐fluoro‐arabinocytidine (2′F‐araC), and 2′‐deoxy‐2′‐fluoro‐5‐methyl‐arabinocytidine (5‐Me‐2′F‐araC). The base pair 5‐Me‐2′F‐araC:2′F‐araC produced i‐motifs with a pH1/2 (“pKa”) value that closely matches physiological pH (7.34±0.3). NMR analysis of the most stable telomeric sequence (HJ‐2) at pH 7.0 indicated that the structure is stabilized by hybrid 5‐Me‐dC:2′F‐araC hemiprotonated base pairs and therefore highlights the significance of the interplay between base and sugar modifications on the stability of i‐motif structures.
Intra‐ versus Intermolecular Hydrogen Bonding: Solvent‐Dependent Conformational Preferences of a Common Supramolecular Binding Motif from 1H NMR and Vibrational Circular Dichroism Spectra
Authors: Demarque Daniel P. , Merten Christian 
Published: November 2017

AbstractInvited for the cover of this issue are Daniel P. Demarque and Christian Merten from Ruhr University in Bochum, Germany. The image depicts a DMSO‐solvated 2,6‐pyridinediyl‐dialkylamide, the model system used in their study to investigate solute‐solvent driven conformational changes. Read the full text of the article at 10.1002/chem.201703643.
De Novo Synthesis of α‐Hydroxy Ketones by Gallic Acid‐Promoted Aerobic Coupling of Terminal Alkynes with Diazonium Salts
Authors: Alcaide Benito , Almendros Pedro , Fernández Israel , Herrera Fernando , Luna Amparo 
Published: November 2017

AbstractAn unprecedented metal‐free direct preparation of unprotected α‐hydroxy ketones from terminal alkynes under mild conditions with diazonium salts as the arene source and without the requirement of irradiation is described. The process is general and fully compatible with a wide variety of substitution in both reactants. Experimental and computational evidence strongly suggest the involvement of radical species in the transformation.
Macrocyclic Triruthenium Complexes Having Electronically Coupled Mixed‐Valent States
Authors: Fink Daniel , Bodensteiner Michael , Linseis Michael , Winter Rainer F. 
Published: November 2017

Abstract5‐Ethynyl‐2‐furancarboxylic acid and 3‐ethynylbenzoic acid self‐assemble with [HRu(CO)Cl(PiPr3)2] to form macrocyclic C3‐symmetric triangular triruthenium alkenyl complexes [{Ru(CO)(PiPr3)2(CH=CHArCOO)}3] (Ar=C6H4: 1‐B, Ar=C4H2O: 1‐F), which were characterized by multinuclear NMR spectroscopy, high‐resolution ESI mass spectrometry, and, in the case of 1‐B, by X‐ray crystallography. Electrochemical studies indicate that the macrocycles are oxidized in three consecutive one‐electron steps. The mixed‐valent states obtained by electrochemical or chemical oxidation show signs of valence delocalization, which makes these complexes rare examples of molecule‐based conductive loops with through‐bond charge delocalization.
The effects of rewards on psychological health in the workplace: Underlying mechanisms
Authors: Pellerin Sabrina , Cloutier Julie 
Published: November 2017

AbstractThe effort‐reward imbalance (ERI) model in the workplace (Siegrist, 1996) suggests that inequity of rewards contributes to a degradation of mental health through a process of devaluation. The objective of our study is to test this hypothesis empirically. Data were collected from 659 agents in three call centres located in the province of Quebec. A bootstrap mediation test show that perceived inequity with respect to rewards (recognition, promotion, job security) affects the level of psychological distress through the perception of being valued by the organization. Perceived inequity affects mental health because it signals to workers the extent to which they are valued by their organization. Our correlational study provides evidence of the internal validity of the ERI model. Copyright © 2017 ASAC. Published by John Wiley & Sons, Ltd.
Magnetic particles for sugar separation from sulphuric acid solution generated during nano‐crystalline cellulose production
Authors: Sarma Saurabh J. , Ayadi Mariem , Maiti Sampa , Brar Satinder K. , Berry Richard 
Published: November 2017

AbstractNano‐crystalline cellulose (NCC) is a renewable material having different applications ranging from drug delivery to a reinforcing filling agent in polymer synthesis. Concentrated sulphuric acid is used to hydrolyze cellulosic biomass to obtain NCC. Manufacturers are keen to reuse the diluted acid solution left after the process. However, the presence of mono and oligosaccharides makes it unsuitable for repeated use. About 99 % of these compounds have been successfully separated from the acid solution by employing NaOH‐treated magnetic particles developed during this investigation. It has been observed that by NaOH treatment, zeta potential of the magnetic particles could be increased from +11 mV to +37.5 mV; correspondingly, sugar removal efficiency was increased from 23.04 % to more than 99 %. Thus a direct correlation between the change in zeta potential of the particles and sugar separation efficiency has been observed.
Impact of a draft tube on industrial‐scale Fluid Coker™ Spray Jets in fluidized beds
Authors: ZirGachian M. Ali , Briens Cedric , Berruti Franco , McMillan Jennifer 
Published: November 2017

AbstractIn fluidized bed reactors such as Fluid Cokers™, liquid injections are used. Good contact between liquid and bed solids is required to maximize product yields and quality, and gas‐atomized nozzles are, therefore, used in all these processes. The spray nozzle technology is known to affect the liquid distribution. Therefore, the objective of this study is to assess the effect on liquid distribution of a draft tube located downstream of the spray nozzle, inside the fluidized bed. Experiments were conducted at a relevant scale, using a commercial‐scale nozzle with a liquid flow rate of about 100 L/min in a large‐scale pilot fluid bed containing about 7 tonnes of silica sand. Liquid injected into a fluidized bed either forms liquid‐solid agglomerates or free moisture, consisting of individual particles coated with a thin layer of liquid. Several electrodes were used to map the free moisture distribution throughout the bed. A draft tube greatly improves the contact efficiency throughout the bed. It also increases the penetration of the gas‐liquid jet formed by spray inside the fluidized bed.
The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters
Authors: Silva Arnaldo F. , Vincent Mark A. , McDonagh James L. , Popelier Paul L. A. 
Published: November 2017

AbstractThe electronic effects that govern the cohesion of water clusters are complex, demanding the inclusion ofN‐body, Coulomb, exchange and correlation effects. Here we present a much needed quantitative study of the effect of correlation (and hence dispersion) energy on the stabilization of water clusters. For this purpose we used a topological energy partitioning method called Interacting Quantum Atoms (IQA) to partition water clusters into topological atoms, based on a MP2/6‐31G(d,p) wave function, and modified versions of GAUSSIAN09 and the Quantum Chemical Topology (QCT) program MORFI. Most of the cohesion in the water clusters provided by electron correlation comes from intramolecular energy stabilization. Hydrogen bond‐related interactions tend to largely cancel each other. Electron correlation energies are transferable in almost all instances within 1 kcal mol−1. This observed transferability is very important to the further development of the QCT force field FFLUX, especially to the future modelling of liquid water.
The Pregnancy Related Beliefs Questionnaire (PRBQ): An examination of the psychometric properties in perinatal samples
Authors: Leach Dawn M. , Terry Philip , Nikčević Ana V. 
Published: November 2017

BackgroundIdentifying vulnerability to perinatal depression is an important public health issue. Risk factors include general and maternal‐specific dysfunctional attitudes. Scales of maternal attitudes have a number of shortcomings. Further, it is not known whether antenatal maternal attitudes predict post‐natal depression, independently of general dysfunctional attitudes (GDA). The aim of the current study was to examine the psychometric properties of the Pregnancy Related Beliefs Questionnaire (PRBQ) and to establish, prospectively, the utility of the revised PRBQ in predicting the symptoms of post‐natal depression.MethodIn Study 1, a cross‐sectional sample of 344 participants, who were either pregnant or in the post‐natal period, completed a battery of questionnaires assessing background factors, GDA, attitudes specific to motherhood (PRBQ), and depression. In Study 2, a sample of 210 women completed a battery of questionnaires, including a measure of GDA, the PRBQ‐8, and depression, on two occasions: early in the second trimester of pregnancy and post‐natally.ResultsExploratory and confirmatory factor analyses supported a one‐factor, eight‐item measure of maladaptive attitudes specific to motherhood (PRBQ‐8). The PRBQ‐8 was found to have good convergent, concurrent, and predictive validity and high internal and test–retest reliability. A hierarchical regression analysis revealed that antenatal PRBQ‐8 scores predict the severity of post‐natal depression symptoms, after controlling for background factors, antenatal depression, and GDA.ConclusionsThe PRBQ‐8 is a psychometrically sound measure of maternal attitudes that can be used antenatally to identify women at risk of post‐natal depression.
Modeling Interface Shape in Czochralski Growth of Sapphire Crystals
Authors: Stelian Carmen , Duffar Thierry 
Published: November 2017

AbstractNumerical modeling is applied to investigate the factors affecting the shape of the crystal‐melt interface in Czochralski growth of sapphire crystals having 10 cm in diameter. The modeling is performed for a 2D – axisymmetric furnace configuration, where all the furnace components are included. The shape of the crystal‐melt interface is computed by using the deformable mesh technique. Numerical results show that the conical shape of the interface depends essentially on the internal radiative heat exchanges in the semi‐transparent sapphire crystal, being less influenced by the buoyancy convection. The Marangoni effect enhances the flow near the triple solid‐liquid‐gas point, leading to convex‐concave shape of the growth interface, which is prone to facet formation. Numerically computed shape of the interface is compared to experimental results taken from literature. Applying crystal/crucible rotation has a significant impact on the flow pattern and the shape of the growth interface. Computations performed by applying only crystal rotation at rates higher than a critical value, show a reversed convection at the sample centre, underneath the crystal. This flow affects the shape of the interface, which is less curved and exhibits a convex shape. If the rotation rate is too much increased, the interface shape can be distorted by the intense flow. Application of crucible rotation intensifies the downward flow at the sample centre, leading to increased interface curvature. Rotating both the crystal and crucible in opposite directions generates a complex flow pattern, but has no flattening effect on the interface.
Thickness‐Dependent Tensile and Fatigue Behavior of A Single‐Slip‐Oriented Cu Single Crystal
Authors: Liu Ming‐Qiu , Liu Ya‐Lan , Yan Ying , Han Dong , Li Xiao‐Wu 
Published: November 2017

AbstractTo explore the micro‐mechanism for the size effect of the mechanical behavior of metallic crystals, the tensile and fatigue behavior of Cu single crystal with t of 0.1−2.0 mm is investigated. The results show that with the reduction of t, an obvious increase in σYS and a slight decrease in σUTS take place; meanwhile, the δ evidently reduces, especially as t < 0.6 mm, while the Nf first sharply increases and then decreases at a constant stress amplitude of 80 MPa. The activated slip system reduces with t under tensile loading, and the fracture modes are transferred from ductile to slip separation rupture, whereas under cyclic loading, slip separation rupture becomes dominant especially at t = 2.0 and 0.1 mm. Correspondingly, the tensile microstructures are transformed from the cell‐walls to dislocation cells, while dislocation cells are the dominant microstructure in fatigued specimens, and the dislocation density obviously decreases with decreasing t. In a word, a strong dependence of tensile and fatigue behavior on t is exhibited for the Cu single crystal.
Synthesis, Structure and Properties of Formamidine‐templated Metal Formate Crystals
Authors: Luo Chunhua , Fang Minjie , Luo Qianqian , Lin Hechun , Zhang Yuanyuan , Yue Fangyu , Xiang Pinghua , Peng Hui 
Published: November 2017

AbstractThis work reports the preparation of crystals of two metal organic frameworks [(NH2CHNH2)][Zn(HCOO)3] (1) and [(NH2CHNH2)2][Cu2(HCOO)6] (2) by using the solvent evaporation method. Under the same experimental conditions, the obtained crystals show different crystal structures. The complex 1 forms 3D structure geometry with one Zn(Ⅱ) ion in the center of an octahedral coordination environment, which is bridged with six nearest Zn(Ⅱ) ions by the formate ligands. The 3D scaffold of the complex 2 consists of two copper ions (Cu1 and Cu2) in the center of an octahedral coordination environment bridged by formate ligands. Magnetic study shows diamagnetic susceptibility for [NH2CHNH2][Zn(HCOO)3] and antiferromagnetic coupling between the Cu(Ⅱ) ions for [(NH2CHNH2)2][Cu2(HCOO)6].
Multiple‐Trapping Model for the Charge Recombination Dynamics in Mesoporous‐Structured Perovskite Solar Cells
Authors: Wang Hao‐Yi , Wang Yi , Hao Ming‐Yang , Qin Yujun , Fu Li‐Min , Guo Zhi‐Xin , Ai Xi‐Cheng , Zhang Jian‐Ping 
Published: November 2017

AbstractThe photovoltaic performance of organic–inorganic hybrid perovskite solar cells has reached a bottleneck after rapid development in last few years. Further breakthrough in this field requires deeper understanding of the underlying mechanism of the photoelectric conversion process in the device, especially the dynamics of charge‐carrier recombination. Originating from dye‐sensitized solar cells (DSSCs), mesoporous‐structured perovskite solar cells (MPSCs) have shown many similarities to DSSCs with respect to their photoelectric dynamics. Herein, by applying the multiple‐trapping model of the charge‐recombination dynamic process for DSSCs in MPSCs, with rational modification, a novel physical model is proposed to describe the dynamics of charge recombination in MPSCs that exhibits good agreement with experimental data. Accordingly, the perovskite‐ and TiO2‐dominating charge‐recombination processes are assigned and their relationships with the trap‐state distribution are also discussed. An optimal balance between these two dynamic processes is required to improve the performance of mesoporous‐structured perovskite devices.
Topology of syngameons
Authors: Boecklen William J. 
Published: November 2017

AbstractSyngameons are sets of species linked by interspecific hybridization. Common observations regarding the structure of syngameons are that hybridization propensity is not uniform across species and that patterns of hybridization are dominated by a few species. I use computer simulations to test these claims in naturally occurring syngameons selected from the literature and from personal observation. Natural syngameons, especially those involving plants, typically exhibit nonrandom structure: The first three order statistics for the number of hybrid partners and the variance in the number of hybrid partners are larger than chance alone would predict. The structure of two insect syngameons examined is not significantly different from random. To test a hypothesis that variation in hybridization propensity across species in natural syngameons is simply an artifact of hybridization opportunity, I examine the structure of four artificial syngameons (fertility relationships) produced by full diallel crosses. Three of four artificial syngameons exhibit nonrandom structure, as the observed variation in number of successful crosses is larger than chance alone would predict. In general, there are no significant results involving the order statistics. Finally, I discuss biogeographic, ecological, and phylogenetic hypotheses for variation in hybridization propensity across species in natural syngameons.
The effects of elevated CO2 (0.5%) on chloroplasts in the tetraploid black locust (Robinia pseudoacacia L.)
Authors: Cao Yuan , Jiang Mingquan , Xu Fuling , Liu Shuo , Meng Fanjuan 
Published: November 2017

AbstractSome ploidy plants demonstrate environmental stress tolerance. Tetraploid (4×) black locust (Robinia pseudoacacia L.) exhibits less chlorosis in response to high CO2 than do the corresponding diploid (2×) plants of this species. We investigated the plant growth, anatomy, photosynthetic ability, chlorophyll (chl) fluorescence, and antioxidase activities in 2× and 4× black locusts cultivated under high CO2 (0.5%). Elevated CO2 (0.5%) induced a global decrease in the contents of total chl, chl a, and chl b in 2× leaves, while few changes were found in the chl content of 4× leaves. Analyses of the chl fluorescence intensity, maximum quantum yield of photosystem II (PSII) photochemistry (Fv/Fm), K‐step (Vk), and J‐step (VJ) revealed that 0.5% CO2 had a negative effect on the photosynthetic capacity and growth of the 2× plants, especially the performance of PSII. In contrast, there was no significant effect of high CO2 on the growth of the 4× plants. These analyses indicate that the decreased inhibition of the growth of 4× plants by high CO2 (0.5%) may be attributed to an improved photosynthetic capacity, pigment content, and ultrastructure of the chloroplast compared to 2× plants.