bluuebunny/crossref_metadata_2025_split huggingface dataset:
One‐Step Preparation of Viologen‐TiO2 Nanoparticles via a Hydrothermally Assisted Sol–Gel Process for Use in Electrochromic Films and Devices
Authors: Viñuales Ana , Herbig Bettina , Alesanco Yolanda , Palenzuela Jesús , Rodriguez Javier , Schmitt Angelika , Posset Uwe 
Published: September 2018

AbstractA one‐step method based on a hydrothermally assisted sol–gel process for the preparation of electrochromic viologen‐modified TiO2 nanoparticles is presented. The simplicity of the proposed one‐step synthesis and its usefulness for the subsequent preparation of transparent electrochromic films is demonstrated. In this method, the viologen moieties are attached during the growing/crystallization process of the TiO2 nanoparticles; therefore, neither sintering nor immersion into viologen solution of the resulting nanostructured film as in the standard methods is required. Thus, this novel approach is compatible with plastic substrates and easier to scale‐up. The morphology of the films is characterized by means of X‐ray diffraction, scanning electron microscopy, and ellipsometric porosimetry experiment, while the presence of viologen moieties in and throughout the film is detected by means of diffuse reflectance infrared Fourier transform and X‐ray photoelectron spectroscopy. Finally, full cells are assembled both on conducting glass and polyester substrates to demonstrate that electrochromic devices with excellent performance (ΔT% = 58% and 48%, respectively) can be made with films deposited from viologen‐TiO2 nanoparticulate dispersions obtained by this method.
Dibutyl succinate, produced by an insect‐pathogenic fungus, Isaria javanica pf185, is a metabolite that controls of aphids and a fungal disease, anthracnose
Authors: Lee Yong‐Seong , Han Ji Hee , Kang Beom Ryong , Kim Young Cheol 
Published: September 2018

AbstractBACKGROUNDAn entomopathogenic fungus, Isaria javanica pf185, causes mortality in nymphs of the green peach aphid and inhibits the growth of fungal plant pathogens. However, the metabolites of pf185 involved in these antifungal and aphicidal activities are unknown. This study was performed to identify the metabolites with these activities.RESULTSAn antifungal metabolite was purified by repetitive column chromatography and preparative high‐performance liquid chromatography. Based on data from mass spectrometry and nuclear magnetic resonance, the active metabolite was identified as dibutyl succinate. The minimum concentration of dibutyl succinate to inhibit germination of conidia of the cause of anthracnose, Colletotrichum acutatum, was 4 mg mL−1. Dibutyl succinate at 2 µg mL−1 inhibited mycelial growth. It also had strong aphicidal activity against the nymphs of the green peach aphid, Myzus persicae, median lethal concentration (LC50) of 306 mg L−1 at 24 h exposure, and median lethal time (LT50) of 14.5 h at 388 mg L−1 exposure.CONCLUSIONThis is the first report indicating that a single metabolite, dibutyl succinate, from the beneficial fungus I. javanica, has potential for use in integrated pest management to inhibit both insect and fungal plant pathogens. © 2018 Society of Chemical Industry
Below‐cloud scavenging of fine and coarse aerosol particles by rain: The role of raindrop size
Authors: Blanco‐Alegre Carlos , Castro Amaya , Calvo Ana I. , Oduber Fernanda , Alonso‐Blanco Elisabeth , Fernández‐González Delia , Valencia‐Barrera Rosa M. , Vega‐Maray Ana M. , Fraile Roberto 
Published: September 2018

Below‐cloud aerosol scavenging is an important process to remove particles from the atmosphere. In this study, both precipitation (measured with a laser disdrometer registering drops between 0.125 and 8 mm) and atmospheric aerosol particles (measured with a Passive Cavity Aerosol Spectrometer Probe registering aerosol sizes between 0.1 and 24 µm) have been sampled on a 1 min basis. Based on 6 months of outdoor measurements in León (northwest Iberian Peninsula), the scavenging coefficients were calculated for the aerosol particles measured, with a mean value of 2.6 × 10−5 ± 6.0 × 10−5 s−1 for the fine mode and 5.8 × 10−5 ± 9.6 × 10−5 s−1 for the coarse mode in 54 rain events. Likewise, the particle concentration decreased during rain by 10%, and by 18% between the time before and after the rain. In the Greenfield Gap (sizes between 0.3 and 1 µm) the scavenging is less effective, mainly between 0.6 and 1 µm, than with smaller particles. The number of drops between 0.75 and 3 mm shows statistically significant (p < 0.05) negative correlations with the number of particles between 0.16 and 1.76 µm, thus illustrating the potential of those raindrops to favour the scavenging of particles of that size. In addition, there were statistically significant negative correlations between the total volume removed by falling drops (mm3/m3) and the variation of the number of particles in channels with diameters between 0.12 and 0.19 µm.
Why the lowest electronic excitations of rhodamines are overestimated by time‐dependent density functional theory
Authors: Zhou Panwang 
Published: September 2018

AbstractRhodamines are widely used as laser dyes and fluorescent probes due to their excellent photophysical and photochemical properties. Previous theoretical studies have shown that the lowest excitation energies of rhodamines are overestimated systematically by time‐dependent density functional theory (TDDFT). In this study, we first perform a TDDFT benchmark study with 21 exchange‐correlation functionals (XCFs) on a series of rhodamines and assess the performance of different types of functional in predicting the lowest excitation energies of rhodamines. Statistical results reveal that the fraction of Hartree–Fock exchange (HFX) included in the XCF is a key parameter. Pure functionals without HFX offer the best performance, with the mean absolute error (MAE) of approximately 0.1 eV. However, they provide a wrong order of the lowest nπ* and ππ* states and suffer from charge‐transfer contamination problem for rhodamine dyes (RDs) in zwitterionic form. Among the other tested functionals, popular global hybrid functional B3LYP delivers the smallest MAE of 0.36 eV. We then perform calculations with second‐order algebraic diagrammatic construction and extended multiconfiguration quasi‐degenerate perturbation theory at second‐order of PT expansion methods. Remarkably accurate results are obtained. We confirm that the reason for the overestimation of the lowest excitation energies of RDs by TDDFT method should be similar to that of cyanine dyes, and that double excitations contribute to this systematic deviation.
Immune function of plasmacytoid dendritic cells, natural killer cells, and their crosstalk in HBV infection
Authors: Golsaz‐Shirazi Forough , Amiri Mohammad Mehdi , Shokri Fazel 
Published: September 2018

SummaryChronic hepatitis B virus infection is a major health problem, with over 245 million chronic carriers worldwide. This persistent infection is thought to be associated with inefficient innate and adaptive immune responses. Natural killer cells (NK cells) and plasmacytoid dendritic cells (pDCs) are the major innate immune cells which respond to viral infection at the early phase and are considered major components of the antiviral immune response. In this review, we summarize recent findings regarding the role of NK cells, pDCs, and their cross‐talk in HBV infection and its chronicity. Although the data regarding the biological function of pDCs and NK cells in HBV infection is still controversial, many studies show that in chronic HBV infection, the cytotoxicity of NK cells is retained, while their capacity to secrete cytokines is strongly impaired. In addition, interferon‐α production by pDCs is impaired during chronic HBV infection, and the virus interferes with pDC‐NK cell interaction.
The role of environmental justice in sustainable development in China
Authors: Li Dong‐Xin , Sinha Paresha N. , Kim Sally , Lee Yong‐Ki 
Published: September 2018

AbstractThis study drawing concepts from the fields of sociology, organizational behavior, and marketing examines residents' perceptions of justice in relation to environmental development. Although prior research raised issues related to environmental development from the justice perspective, very little is known about how residents perceive justice related to environmental development. Therefore, our study examines residents' perceptions of justice and how those perceptions influence the relationship with the government. More specifically, the study proposes that four types of justice (distributive, procedural, interpersonal, and informational) are related with the residents' trust in the government, which predicts their intentions to support for future projects and the government. To test the proposed model, we collected data from residents of four cities in China that were going through environmental development projects. The results of the study show perceptions of distributive justice and interpersonal justice have a significant positive effect on the residents' trust in the government and the environmental development. The study also finds that trust in the government and trust in the environmental development are positively related with residents' intentions to support the government and additional environmental developments. Our finding, however, does not support that either perceptions of procedural justice or perceptions of informational justice are important in the Chinese context. Implications of the study are presented.
Novel 2,4‐Dimethyl‐5‐((E)‐3‐phenyl‐3‐oxoprop‐1‐enyl)‐1H‐pyrrole‐3‐carboxylic Acid Derivatives: New Leads in Cancer and Bacterial Chemotherapy
Authors: Rasal Nishant K. , Sonawane Rahul B. , Choudhari Amit S. , Chakraborty Shakti S. , Sarkar Dhiman D. , Jagtap Sangeeta V. 
Published: September 2018

AbstractThe efficiently designed and synthesized novel 2,4‐dimethyl‐5‐((E)‐3‐phenyl‐3‐oxoprop‐1‐enyl)‐1H‐pyrrole‐3‐carboxylic acid derivatives has been described here which is encouraged by the anticancer activities associated with sunitinib and semaxanib. Synthesized compounds were characterized by 1H NMR, 13C NMR and high‐resolution mass spectrometry (HRMS). They are evaluated for in vitro antiproliferative properties on cancer cell lines as well as antibacterial activity against gram‐positive and gram‐negative species. The bioassay results revealed that several compounds exhibit potential antiproliferation activity. Among them, the lead compound 2,2,2‐trifluoroethyl 5‐((E)‐3‐(3‐fluoro‐4‐(trifluoromethyl)phenyl)‐3‐oxoprop‐1‐enyl)‐2,4‐dimethyl‐1H‐pyrrole‐3‐carboxylate (9 g) showed the most potent anticancer activity against MDA‐MB‐231 and PC‐3 cancer cell line with GI50 values of 5.51 and 5.15 μg/mL and subsequently more active than sunitinib (GI50: 6.50 μg/mL) against PC‐3. Same compound 9 g also exhibits the most potent antibacterial activity against gram‐positive bacteria Bacillus subtilis and Staphylococcus aureus with IC50 of 1.44 and 1.54 μg/mL. In silico prediction, shows that all seven potent compounds obeyed Lipinski rule for druglikeness. Structure‐activity relationship (SAR) study reflect the activity enhance with electron withdrawing group on aryl ring and replacement of acid by its bioisosteres i. e. amide and ester group. These studies have successfully identified many newly synthesized compounds as potential anticancer as well as antibacterial agent for further development.
Alkylation of Benzene with Cyclopropane‐Containing Polycyclic Hydrocarbons under the Action of the [Et3NH]+[Al2Cl7]– Ionic Liquid
Authors: Khusnutdinov Ravil I. , Aminov Rishat I. , Egorova Tatyana M. , Mescheryakova Ekaterina S. , Khalilov Leonard M. , Dzhemilev Usein M. 
Published: September 2018

AbstractBenzene alkylation with cyclopropane‐containing polycyclic hydrocarbons (tetracyclo[4.3.0.02,4.03,7]nonane, exo‐exo‐hexacyclo[9.2.1.02,1003,804,605,9]‐tetradecane, exo‐endo‐hexacyclo[9.2.1.02,1003,804,605,9]tetradecane, endo‐exo‐hexacyclo[9.2.1.02,1003,804,605,9]tetradecane, and endo‐endo‐hexacyclo[9.2.1.02,1003,804,605,9]tetradecane) was accomplished under the action of the [Et3NH]+[Al2Cl7]‐ ionic liquid.
Triluminescent Functional Composite Pigment for Non‐Replicable Security Codes to Combat Counterfeiting
Authors: Gangwar Amit K. , Nagpal Kanika , Gupta Bipin K. 
Published: September 2018

AbstractHerein, a novel strategy to design of unclonable triluminescent pigment derived security ink is formulated to protect valuable merchandise, bank notes, pharmaceuticals, confidential documents etc. against counterfeiting, by embedding luminescent security codes/images. This triluminescent security ink is designed with combinatory chemistry that involves the strategically admixing of the triluminescent functional composite pigments in commercially available polyvinyl chloride gold medium. The triluminescent functional composite pigment is composed of NaYF4: Yb3+, Er3+(Sodium Yttrium Fluoride doped with Ytterbium and Erbium ions), NaYF4: Eu3+ (Sodium Yttrium Fluoride doped with Europium ion) and ZnO (Zinc Oxide) materials which have multifunctional features as it looks white in ambient light and shows strong green (NaYF4: Yb3+, Er3+), red (NaYF4: Eu3+) and green (ZnO) colors at three different excitations of 980 nm, 254 nm and 379 nm wavelengths, respectively. The structural/microstructural and photoluminescence properties of triluminescent functional composite are confirmed by XRD (X‐ray diffraction), SEM (Scanning electron microscope), TEM (Transmission electron microscope) and photoluminescence spectroscopic techniques, respectively. The quality and spatially distributed PL intensity of printed images/code from triluminescent ink was investigated by photoluminescence confocal mapping microscopy technique. Hence, the obtained results suggest that the security code/images printed by using ink formulated from triluminescent functional composite pigment provides one step ahead novel security features which could be easy to detect but extremely difficult to replicate.
An Attempt to Improve Electrochemical Performances of Lignin‐Based Hard Carbon Microspheres Anodes in Sodium‐Ion Batteries by Using Hexamethylenetetramine
Authors: Yu Xiaochen , Yu Baojun , Zhang Jie , Zhang Yang , Zeng Jingxuan , Chen Mingming , Wang Chengyang 
Published: September 2018

AbstractLignin‐based hard carbon microspheres anodes were prepared and applied in sodium‐ion batteries (SIBs), which delivered a high initial coulombic efficiency (ICE) and good capacity. The precursors of lignin hard carbon microspheres are thermoset lignin microspheres. By reversed‐phase polymerization, different physicochemical properties of lignin microspheres were prepared by adjusting the amount of hexamethylenetetramine (HMTA). The influence of HMTA on microstructure, thermal stability and electro‐chemical properties were studied in detail. Fourier transform infrared (FT‐IR) spectroscopy, thermogravimetric, Brunner−Emmet−Teller (BET) measurements, X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS) and Raman analysis showed that more functional groups are introduced and HMTA improved the thermal stability and the carbon disorder. It is found that the most appropriate addition amount of HMTA is 5 wt % after comparison. The optimal sample exhibits the best electrochemical performance. The initial discharge/charge capacity of 494.4/393 mAg−1(ICE of 79.6%) is achieved at a current density of 0.1 C (1 C=250 mAg−1), and after 250 cycles at 0.4 C, the capacity retention ratio is 90.3%. This high reversible capacity proves that adding an appropriate amount of HMTA is an effective strategy to improve the electrochemical performance of SIBs.
DABCO‐Catalysed Amidation under Assistance of Aerial Oxidation: Access to α‐ketoamides
Authors: Monga Aparna , Bagchi Sourav , Sharma Anuj 
Published: September 2018

AbstractHerein, we describe a facile and convenient approach leading to the synthesis of α‐ketoamides by dehydrogenative coupling between sp2 terminal carbonyl carbon of aryl glyoxals and N−H of amines using catalytic amount of DABCO under the assistance of aerial oxygen. The advantages of the given protocol involve metal‐free conditions and non‐tedious work up. Moreover, this method does not require additional oxidant(s), co‐oxidant(s) or any harsh reagents.
Facile Preparation of Hydrophilic‐Bifunctional‐Groups Modified Magnetic Microspheres as a Novel Matrix for Detection of Phthalate Esters from Human Plasma Samples
Authors: Yan Yinghua , Lu Yujie , Gao Yiqian , Wang Baichun , Zhao Lingling , Liang Hongze 
Published: September 2018

AbstractA novel hydrophilic magnetic solid phase extraction (MSPE) sorbent with imidazole‐based ionic liquid and adenosine tri‐phosphate (ATP) as bifunctional groups, polydopamine (PDA) as an intermediate layer, Fe3O4 as a magnetic core (Fe3O4@PDA‐ATP@IL) was prepared and applied for selective extraction of phthalic acid esters (PAEs). The resultant Fe3O4@PDA‐ATP@IL performed strong paramagnetic response, excellent water dispersibility, high capacity and selectivity toward PAEs. This strategy exhibited wide linearity (50‐8000 ng/mL), low limit of detection (0.02‐0.80 ng/mL), good recovery (92.3‐105.3%) and good precision (intra‐day RSDs less than 4.8%, inter‐day RSDs less than 6.7%). More encouragingly, under the optimized conditions, the prepared microspheres were applied to analyze nine PAEs in human plasma samples and achieved satisfactory results. The proposed method may open new avenues for analysis of aromatic chemicals in real samples.
Nano‐Graphene as Groundbreaking Miracle Material: Catalytic and Commercial Perspectives
Authors: Singh Santosh Bahadur , Hussain Chaudhery Mustansar 
Published: September 2018

AbstractOver the past decade, nano‐graphene has emerged as one of the miraculous materials to mankind because of its outstanding electronic, optical, thermal, and mechanical properties. Unique characteristics of nano‐graphene make it more attractive for development of new metal‐free green heterogeneous catalysts especially for advance catalysis like photo catalysts, electrocatalysts, and organocatalysts. This review critically discusses the characterization techniques, catalysis, energy, and environmental applications of nano‐graphene. A systematic design of economic challenges, health and safety concerns, and industrial life cycle assessment (LCA) to realize the commercial scale exploitation of nano‐graphene is also reviewed. At the end, the challenges and opportunities for the future development of nano‐graphene in regards to its sustainability and affordability are described.
Recent Advances in Targeted Tumor Chemotherapy Based on Smart Nanomedicines
Authors: Qin Si‐Yong , Zhang Ai‐Qing , Zhang Xian‐Zheng 
Published: September 2018

AbstractEfficacy and safety of chemotherapeutic drugs constitute two major criteria in tumor chemotherapy. Nanomedicines with tumor‐targeted properties hold great promise for improving the efficacy and safety. To design targeted nanomedicines, the pathological characteristics of tumors are extensively and deeply excavated. Here, the rationale, principles, and advantages of exploiting these pathological characteristics to develop targeted nanoplatforms for tumor chemotherapy are discussed. Homotypic targeting with the ability of self‐recognition to source tumors is reviewed individually. In the meanwhile, the limitations and perspective of these targeted nanomedicines are also discussed.
Quantitative proteomics of forebrain subcellular fractions in fragile X mental retardation 1 knockout mice following acute treatment with 2‐Methyl‐6‐(phenylethynyl)pyridine: Relevance to developmental study of schizophrenia
Authors: Folsom Timothy D. , Higgins LeeAnn , Markowski Todd W. , Griffin Timothy J. , Fatemi S. Hossein 
Published: September 2018

AbstractThe fragile X mental retardation 1 knockout (Fmr1 KO) mouse replicates behavioral deficits associated with autism, fragile X syndrome, and schizophrenia. Less is known whether protein expression changes are consistent with findings in subjects with schizophrenia. In the current study, we used liquid chromatography tandem mass spectrometry (LC‐MS/MS) proteomics to determine the protein expression of four subcellular fractions in the forebrains of Fmr1 KO mice vs. C57BL/6 J mice and the effect of a negative allosteric modulator of mGluR5—2‐Methyl‐6‐(phenylethynyl)pyridine (MPEP)—on protein expression. Strain‐ and treatment‐specific differential expression of proteins was observed, many of which have previously been observed in the brains of subjects with schizophrenia. Western blotting verified the direction and magnitude of change for several proteins in different subcellular fractions as follows: neurofilament light protein (NEFL) and 2′,3′‐cyclic‐nucleotide 3′‐phosphodiesterase (CNP) in the total homogenate; heterogeneous nuclear ribonucleoproteins C1/C2 (HNRNPC) and heterogeneous nuclear ribonucleoprotein D0 (HNRNPD) in the nuclear fraction; excitatory amino acid transporter 2 (EAAT2) and ras‐related protein rab 3a (RAB3A) in the synaptic fraction; and ras‐related protein rab 35 (RAB35) and neuromodulin (GAP43) in the rough endoplasmic reticulum fraction. Individuals with FXS do not display symptoms of schizophrenia. However, the biomarkers that have been identified suggest that the Fmr1 KO model could potentially be useful in the study of schizophrenia.
A nonlinear Schrödinger equation for gravity–capillary water waves on arbitrary depth with constant vorticity. Part 1
Authors: Hsu H. C. , Kharif C. , Abid M. , Chen Y. Y. 
Published: September 2018

A nonlinear Schrödinger equation for the envelope of two-dimensional gravity–capillary waves propagating at the free surface of a vertically sheared current of constant vorticity is derived. In this paper we extend to gravity–capillary wave trains the results of Thomas et al. (Phys. Fluids, 2012, 127102) and complete the stability analysis and stability diagram of Djordjevic & Redekopp (J. Fluid Mech., vol. 79, 1977, pp. 703–714) in the presence of vorticity. The vorticity effect on the modulational instability of weakly nonlinear gravity–capillary wave packets is investigated. It is shown that the vorticity modifies significantly the modulational instability of gravity–capillary wave trains, namely the growth rate and instability bandwidth. It is found that the rate of growth of modulational instability of short gravity waves influenced by surface tension behaves like pure gravity waves: (i) in infinite depth, the growth rate is reduced in the presence of positive vorticity and amplified in the presence of negative vorticity; (ii) in finite depth, it is reduced when the vorticity is positive and amplified and finally reduced when the vorticity is negative. The combined effect of vorticity and surface tension is to increase the rate of growth of modulational instability of short gravity waves influenced by surface tension, namely when the vorticity is negative. The rate of growth of modulational instability of capillary waves is amplified by negative vorticity and attenuated by positive vorticity. Stability diagrams are plotted and it is shown that they are significantly modified by the introduction of the vorticity.