bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, In Silico Molecular Docking, ADME Evaluation and In Vitro Antiplasmodial Activity of Pyrimidine‐Based Hybrid Molecules
Authors: Chopra Rakesh , Singh Lovepreet , Chibale Kelly , Singh Kamaljit 
Published: November 2019

AbstractWe report synthesis of new pyrimidine based molecular hybrids comprising of pyrimidine and aryl/heteroaryl groups linked, conveniently through 1,2,3‐triazole. In vitro antiplasdmodial activity of this series of compounds against chloroquine sensitive NF54 strain of the human malaria parasite Plasmodium falciparum, revealed interesting trends and correlation with the physicochemical properties of the hybrids. In silico docking of the most active (IC50 4.40±1.00 μM) (more active than reference artesunate) member 16 a in the active binding sites of wild type PfDHFR‐TS (P. falciparum Dihydrofolate Reductase‐Thymidylate Synthase) and PfDHFR‐TS Quadruple mutant showed interactions suggesting their role as PfDHFR inhibitors. Further, all the members of the series showed favorable in silico ADME (Adsorption Distribution, Metabolism, Excretion) profile.
Designing of Ultrafine PdNPs Immobilized Pyridinic‐NDoped Carbon and Evaluation of its Catalytic Potential for Konevenagel Condensation, Synthesis of 4H‐pyran Derivatives and Nitroreduction
Authors: Chowhan Bushra , Gupta Monika , Sharma Neha 
Published: November 2019

AbstractWe report the desiging of ultrafine Pd‐based nanocatalyst containingN‐doped carbon structure (Pd@NC). The material was prepared by direct dehydration at 120 °C followed by mixing and heating with a dopant (ammonium oxalate) at 150 °C in a furnace. The Pd@NC nanocatalyst containing electron‐rich pyridinic‐Ndoped carbon structure, was thoroughly characterized by various techniques namely SEM, EDX, TEM, FTIR, ICP‐AES, XRD, XPS, TGA and Raman spectroscopy. The utility of the Pd@NC nanocatalyst was explored for base‐free Knoevenagel condensation and 4H‐pyran derivatives and also in the reduction of nitroarenes under mild and greener conditions. Further, the optical property was explored using photoluminescence spectroscopy and band gap was also calculated. The heterogeneous nature and stability of the catalyst facilitated by its ease of separation for long‐term performance and recycling studies showed that catalyst was robust and remained active upto six recycling experiments. Also, the leaching of metal was confirmed by ICP‐AES. The superiority of the catalyst was attributed to the metal support interaction (MSI) between metallic palladium and pyridinic‐Ndoped carbon to acquire excellent catalytic activity and changing the reducing nature of NaBH4towards nitro functionality. The MSI between pyridinic‐Ndopant on the carbon structure and PdNPs produces highly active sites for catalytic performance under mild conditions.
Microwave‐Assisted One‐Step Four‐Component Reaction for Synthesis of 1,4‐Dihydropyridines Catalyzed by Triethylamine
Authors: Khumalo Mandlenkosi Robert , Maddila Surya Narayana , Maddila Suresh , Jonnalagadda Sreekantha B. 
Published: November 2019

AbstractA green approach is designed for the synthesis of 1,4‐dihydropyrine derivatives catalyzed by triethylamine with water as solvent and under microwave irradiation conditions. The title reaction involved the one‐pot condensation of four components, namely aryl aldehyde, benzyl acetoacetate, 5‐methyl‐1,3‐cyclohexanedione and ammonium acetate. Good to excellent yields (88‐98%), short reaction times (10 min), green solvent and simple workup are attractive features for the approach. The method requires no further chromatographic separation. The structures of all the ten new derivatives were fully characterized by spectroscopic analysis with 1H NMR, 13C NMR, 15N NMR and HRMS.
Self‐Assembled Tetrameric Lanthanide‐Containing Germanotungstates [(Ln2GeW10O38)4(W3O8)(OH)4(H2O)2]26−: Syntheses, Crystal Structure, Photoluminescence and Electrochemical Properties.
Authors: Khan Imran , Kaushik Reetam , Tiwari Ranjay K. , Mbomekallé Israël , Oliveira Pedro de , Matono Takashi , Ooyama Haruka Egawa , Sadakane Masahiro , Hussain Firasat 
Published: November 2019

AbstractA series of six lanthanide‐containing germanotungstates of the formula: [(Ln2GeW10O38)4(W3O8)(OH)4(H2O)2]26− (Ln=Sm (1), Eu (2), Gd (3), Tb (4), Dy (5), Ho (6) have been synthesized under ambient conditions. The synthetic procedure involves the use of trilacunary Na10[A‐α‐GeW9O34]⋅16H2O as a preformed precursor along with lanthanide salts in 0.5 M potassium chloride solution. The interaction of the trilacunary Na10[A‐α‐GeW9O34]⋅16H2O with the lanthanide salts leads to the formation of a tetrameric structure with four [GeW10O36]8− dilacunary Keggin units incorporating eight lanthanide ions and three additional tungsten atoms. All the polyanions were structurally characterized by Fourier‐transform infrared spectroscopy (FT‐IR), Single Crystal X‐ray Diffraction (SC‐XRD), UV/Visible spectroscopy, thermogravimetric analysis (TGA), electrochemistry, Electron‐spray ionization mass spectroscopy (ESI‐MS), Powder X‐ray diffraction (PXRD) and photoluminescence. FT‐IR spectroscopy reveals that all the polyanions are isomorphous and SC‐XRD shows that all the polyanions are isostructural and crystalize in the triclinic crystal system with
space group. Some of the polyanions show good photoluminescence properties. The cyclic voltammograms (CVs) of all the six compounds exhibit the same shape, each being composed of a pronounced reduction wave.
Synthesis of Zn2TiO4@CdS Core‐shell Heteronanostructures by Novel Thermal Decomposition Approach for Photocatalytic Application
Authors: Mahajan Jatin , Jeevanandam Pethaiyan 
Published: November 2019

AbstractZn2TiO4@CdS core‐shell heteronanostructures with Zn2TiO4 as core and CdS nanoparticles as shell have been synthesized for the first time by a novel thermal decomposition approach. The size of CdS nanoparticles in the shell can be easily tuned by varying the amount of single molecular precursor (bis(thiourea)cadmium acetate, [Cd(CS(NH2)2)2]⋅(CH3COO)2). Various state‐of‐art analytical techniques prove the formation of Zn2TiO4@CdS core‐shell heteronanostructures. Powder XRD results confirm the presence of cubic Zn2TiO4 and hexagonal CdS in the core‐shell heteronanostructures. SEM and TEM studies indicate spherical morphology for pure Zn2TiO4 and formation of core‐shell structure in Zn2TiO4@CdS with Zn2TiO4 as core and CdS nanoparticles as shell. XPS measurements prove the presence of Zn2+, Ti4+, Cd2+ and S2− in the Zn2TiO4@CdS core‐shell heteronanostructures. The synthesized Zn2TiO4@CdS core‐shell heteronanostructures were explored for photocatalytic degradation of crystal violet in an aqueous solution. The core‐shell heteronanostructures exhibit better photocatalytic activity as compared to their parent materials.
Preparation Of ZnO/Co3O4 Hollow Microsphere By Pollen‐biological Template And Its Application In Photocatalytic Degradation
Authors: Liu Yangyang , Zhang Xin , Wu Bowen , Zhao Haoyu , Zhang Wei , Shan Congcong , Yang Jing , Liu Qing 
Published: November 2019

AbstractZnO/Co3O4 hollow microsphere was prepared by an impregnation method using lotus pollen as biotemplate for photocatalytic degradation of methylene blue (MB) and tetracycline (TC). This material was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR), UV‐Vis diffuse reflectance spectroscopy (UV‐Vis DRS), N2 physical adsorption and X‐ray photoelectron (XPS). The results show that it can replicate the spherical morphology of pollen and form a hollow microsphere after the calcination in air with the diameter of about 25 μm and the wall thickness of about 2 μm. Under the irradiation using a xenon lamp, the degradation rate of MB was 95% in 90 minutes, and the degradation rate of TC was 90% in 60 minutes. Compared with pure ZnO or Co3O4 microspheres prepared by the same method, the photocatalytic performance of ZnO/Co3O4 hollow microsphere is superior, because of synergistic effect between Co and Zn and enhanced electron transfer. In addition, ZnO/Co3O4 hollow microsphere exhibits high reusability without significant decrease of the degradation activities of MB and TC after four cycles.
Hierarchical Nanorods Constructed by Vertical WS2 Nanosheets on Carbon Nanotube Cores with Enhanced Lithium Storage Properties
Authors: Zhao Dan , Zhao Qian , Zhang Jinying , Liu Yi , Guo Shouwu 
Published: November 2019

AbstractA nanorod hybrid constructed by vertical WS2 nanosheets on multi‐walled carbon nanotubes (MWCNTs) core is synthesized by a facile solvothermal method. The WS2 nanorod is difficult to form compared to its MoS2 counterpart because of the relatively sluggish dynamics of W4+. Herein, multi‐site nucleation of WS2 are initiated by the acid‐ and heat‐treated MWCNT bundles with high concentration of defects and functional groups, forming nanorods with high aspect ratio, and inducing strong interface interaction between MWCNTs and WS2. WS2 nanosheets are vertically assembled on the surfaces of MWCNT bundles without agglomeration, exposing abundant active sites for Li+ storage. A three‐dimensional electron conductive network is formed by the nanorods to improve the charge transport efficiency and alleviate the structure change/restacking of WS2 during lithium‐ion batteries cycling. A specific capacity of 963 mAh g−1 at 0.5 A g−1 after 500 cycles is retained by the nanorod hybrid anode, showing excellent electrochemical performances.
Enhancement in Electrochemical Performance of Lithium‐Sulfur Cells through Sulfur Encapsulation in Hollow Carbon Nanospheres Coated with Ultra‐Thin Aluminum Fluoride Layer
Authors: Ashuri Maziar , Dunya Hamza , Yue Zheng , Alramahi Dana , Mei Xinyi , Kucuk Kamil , Aryal Shankar , Segre Carlo U. , Mandal Braja K. 
Published: November 2019

AbstractThe current status of cathode materials for lithium‐sulfur (Li−S) battery is not satisfactory for full‐scale commercial production. This mainly stems from the unsolved problems associated with the polysulfide shuttle, which leads to lower sulfur utilization and significant capacity decay after a few hundred cycles. To better confine sulfur and its associated polysulfides, a core/double‐shelled nanocomposite was synthesized. The inner shell was composed of a carbon nanosphere with high conductivity, while the outer shell was an ultra‐thin aluminum fluoride (AlF3) layer to better retain polysulfides in the cathode structure. The AlF3 coating increased the initial discharge capacity to 1191 mA h g−1 with capacity retention of 76.3% and Coulombic efficiency > 99% over 100 cycles. Taking advantage of this tailored design, a reversible capacity of 702 mA h g−1 over 500 cycles at 1 C was achieved with only 0.052% capacity decay per cycle. This impressive electrochemical performance was ascribed to the enhanced conductivity and effective entrapment of polysulfides.
Chemical Recycling of End‐of‐Life Polyamide 6 via Ring Closing Depolymerization
Authors: Alberti Christoph , Figueira Ruben , Hofmann Melanie , Koschke Svetlana , Enthaler Stephan 
Published: November 2019

AbstractThe chemical recycling of end‐of‐life polymers, a sequence of depolymerization and polymerization reactions, enables the conserving of fossil resources and can add some value to the circular economy. In this study, a process for the depolymerization of end‐of‐life Nylon 6 via ring‐closing reactions to produce as building block N‐acetylcaprolactam have been set up. In detail, a combination of acetic anhydride as depolymerization reagent and catalytic amounts of 4‐dimethylaminopyridine allows under microwave irradiation and within short times (15 min) the conversion of end‐of‐life Nylon 6 to N‐acetylcaprolactam under solvent‐less conditions. Applying optimized conditions a sequence of Nylon 6 goods was transformed in good yields. The product N‐acetylcaprolactam was converted to ϵ‐caprolactam by transfer of the acetyl functionality to 2‐aminoethanol to give N‐(hydroxyethyl)acetamide a precursor for poly(N‐vinylacetamide). The generated ϵ‐caprolactam can be used as monomer for the synthesis of new Nylon 6, therefore a chemical recycling of the monomeric unit of Nylon 6 is feasible.
Post‐traumatic stress disorder and subthreshold post‐traumatic stress disorder in recent male asylum seekers: An expected but overlooked “European” epidemic
Authors: Sacchetti Emilio , Garozzo Andrea , Mussoni Christian , Liotta Daniele , Novelli Gaia , Tamussi Elena , Deste Giacomo , Vita Antonio 
Published: November 2019

AbstractThe literature shows an increased risk for post‐traumatic stress disorder (PTSD) among illegal migrants. We aimed to estimate the prevalence of PTSD, subthreshold PTSD, the degree of disability, and differences in sociodemographic and anamnestic characteristics associated with these clinical conditions in a sample of newly arrived migrants.Two hundred male asylum seekers from West sub‐Saharan Africa were evaluated for traumatic life events, PTSD symptoms, and disability through the Life Events Checklist for DSM‐5 (LEC‐5), the Primary Care PTSD Screen, the PTSD Checklist for DSM‐5, and the World Health Organization Disability Assessment Schedule 2.0 (WHODAS 2.0).The current prevalence of PTSD and subthreshold PTSD was 9.5% and 12.0%, respectively. PTSD and subthreshold PTSD subgroups presented higher WHODAS 2.0 scores and LEC‐5 events, an over‐representation of individuals with childhood adversities and an excess of premigration psychiatric contacts unrelated to PTSD spectrum disorders and peri‐migration offences. Witnessing a traumatic event and disability in understanding and communication predicted both the presence of PTSD symptoms and PTSD status.PTSD spectrum disorders should be considered among the clinical emergencies associated with asylum seeker condition, and targeted interventions also involving the host citizens should be predisposed.
Strategic renewal: Beyond the functional resource role of occupational members
Authors: Pettit Krista L. , Crossan Mary M. 
Published: November 2019

AbstractResearch summaryIn this qualitative study of strategic renewal at a North American news organization we reveal that the treatment of occupational members as resources in strategy literature is necessary, but insufficient. Their activities are critical for organizational survival and competition but also the work needed to maintain their occupational identity. Furthermore, the prevailing research evidence that occupational members impede strategic renewal is incomplete. Our study challenges the narrow view of occupational members as resources that constrain strategic renewal by illustrating how occupational identity “work” is instrumental in facilitating and disrupting strategic renewal. Our findings emphasize the importance of adopting broader definitions of work than the functional definition used in strategic renewal research. We also highlight how the activities of nonmanagerial actors contribute to strategic renewal.Managerial summaryDuring times of change, research highlights how occupational members such as doctors, nurses, engineers, and academics, disrupt and resist change. Our study demonstrates that the same cause of disruption—sustaining their distinctive occupational identity—is critical in facilitating strategic renewal. For managers, we illustrate how and why this occurs and provide practical guidance to leverage this understanding while managing change in occupationally‐dominated organizations.
Firm behavior and the evolution of activism: Strategic decisions and the emergence of protest in US communities
Authors: Piazza Alessandro , Perretti Fabrizio 
Published: November 2019

AbstractResearch summaryHow do firms' strategic decisions affect the emergence and evolution of activism? We examine this question through a study of protests against nuclear power plants in the United States. We find that the decision to cancel construction of a nuclear unit—a substantial victory for activists—is associated with an upsurge in antinuclear protest activity, as emboldened activists stay mobilized even once the level of threat abates. We also find that when a firm decides to complete a nuclear power plant, thereby marking a defeat for activists, antinuclear protests wind down and we witness an increase in mobilization towards other causes. We discuss the implications of our findings for the study of the interaction between social movements and firms.Managerial summaryThe interaction between firms and activists is markedly strategic, and episodes of confrontation are often rooted in decisions made by firms. In this article, we examine how decisions taken by firms might impact activism in local communities through a comprehensive study of mobilization targeting nuclear power plants in the United States between 1960 and 1995. We find that when a firm cancels a proposed nuclear unit, antinuclear protest activity increases, as emboldened activist press the advantage. When a firm decides to complete a nuclear power plant, however, thereby defeated activists will demobilize and focus their attention on other causes. Companies should thus carefully consider how their decisions might affect activist mobilization, especially in contexts where opposition from local communities is a significant factor.
Nonepitaxial Gold‐Tipped ZnSe Hybrid Nanorods for Efficient Photocatalytic Hydrogen Production
Authors: Chen Wei , Li Xiaojie , Wang Fei , Javaid Shaghraf , Pang Yingping , Chen Jiayi , Yin Zongyou , Wang Shaobin , Li Yunguo , Jia Guohua 
Published: November 2019

AbstractFor the first time, colloidal gold (Au)–ZnSe hybrid nanorods (NRs) with controlled size and location of Au domains are synthesized and used for hydrogen production by photocatalytic water splitting. Au tips are found to grow on the apices of ZnSe NRs nonepitaxially to form an interface with no preference of orientation between Au(111) and ZnSe(001). Density functional theory calculations reveal that the Au tips on ZnSe hybrid NRs gain enhanced adsorption of H compared to pristine Au, which favors the hydrogen evolution reaction. Photocatalytic tests reveal that the Au tips on ZnSe NRs effectively enhance the photocatalytic performance in hydrogen generation, in which the single Au‐tipped ZnSe hybrid NRs show the highest photocatalytic hydrogen production rate of 437.8 µmol h−1 g−1 in comparison with a rate of 51.5 µmol h−1 g−1 for pristine ZnSe NRs. An apparent quantum efficiency of 1.3% for hydrogen evolution reaction for single Au‐tipped ZnSe hybrid NRs is obtained, showing the potential application of this type of cadmium (Cd)‐free metal–semiconductor hybrid nanoparticles (NPs) in solar hydrogen production. This work opens an avenue toward Cd‐free hybrid NP‐based photocatalysis for clean fuel production.
Deletion of the N‐terminal domain of the yeast vacuolar (Na+,K+)/H+ antiporter Vnx1p improves salt tolerance in yeast and transgenic Arabidopsis
Authors: Cagnac Olivier , Baghour Mourad , Jaime‐Pérez Noelia , Aranda‐Sicilia M. Nieves , Sánchez‐Romero M. Elena , Rodríguez‐Rosales M. Pilar , Venema Kees 
Published: November 2019

AbstractCation/proton antiporters play a major role in the control of cytosolic ion concentrations in prokaryotes and eukaryotes organisms. In yeast, we previously demonstrated that Vnx1p is a vacuolar monovalent cation/H+ exchanger showing Na+/H+ and K+/H+ antiporter activity. We have also shown that disruption of VNX1 results in an almost complete abolishment of vacuolar Na+/H+ exchange, but yeast cells overexpressing the complete protein do not show improved salinity tolerance. In this study, we have identified an autoinhibitory N‐terminal domain and have engineered a constitutively activated version of Vnx1p, by removing this domain. Contrary to the wild type protein, the activated protein has a pronounced effect on yeast salt tolerance and vacuolar pH. Expression of this truncated VNX1 gene also improves Arabidopsis salt tolerance and increases Na+ and K+ accumulation of salt grown plants thus suggesting a biotechnological potential of activated Vnx1p to improve salt tolerance of crop plants.
Concomitant use of drugs known to cause interactions with oral antiplatelets—polypharmacy in acute coronary syndrome outpatients in Finland
Authors: Prami Tuire , Khanfir Houssem , Hasvold Pål , Reissell Eeva , Airaksinen Juhani , Kytö Ville 
Published: November 2019

Abstract
Purpose
Use of oral antiplatelets (OAPs) is essential for preventing thrombotic events in patients with acute coronary syndrome (ACS). Effects of clopidogrel, prasugrel, and ticagrelor may be enhanced due to pharmacodynamic interactions, but as CYP substrates, they are prone to pharmacokinetic interactions too. The aim was to study polypharmacy in ACS patients following hospital discharge.

Methods
This observational drug utilization study linked patient-level data from nationwide registers. The study population consisted of adult ACS patients discharged from Finnish hospitals in 2009–2013. Logistic regression was used to model the probability of drug-drug interactions with odd ratios for predefined predictors such as age, gender, and ACS type.

Results
In the cohort of 54,416 ACS patients, 91% of those treated with OAP received clopidogrel. Of clopidogrel-treated patients, 12% purchased warfarin at least once while on clopidogrel treatment. Old age, male sex, ST-elevation myocardial infarction as index event, and a history of previous ACS events were associated with an increased risk of warfarin-OAP interaction (p < 0.001 for all). Ibuprofen, and serotonergic drugs tramadol, citalopram, and escitalopram were the next most common drugs causing pharmacodynamic interactions. In general, concomitant use of drugs known to cause pharmacokinetic interactions was rare, but both esomeprazole and omeprazole were prescribed in more than 6% of clopidogrel-treated patients.

Conclusions
Warfarin and ibuprofen were the most commonly used concomitant medications causing pharmacodynamic interactions and potentially increasing the risk of bleeding in OAP-treated patients. Esomeprazole and omeprazole were used in clopidogrel-treated patients although there are alternatives available for gastric protection.
When an incidental MRI finding becomes a clinical issue
Authors: Schwarz-Nemec Ursula , Friedrich Klaus M. , Arnoldner Michael A. , Schwarz Felix K. , Weber Michael , Trattnig Siegfried , Grohs Josef G. , Nemec Stefan F. 
Published: November 2019

Summary
Background
On magnetic resonance imaging (MRI), posterior lumbar subcutaneous edema (PLSE) is a frequent incidental, yet unclear finding within the deep subcutaneous perifascial tissue. This study aimed to investigate PLSE in various pathological lumbar conditions.

Methods
This retrospective study included the MR images of the lumbar spine of 279 patients (age range 18–82 years) without cardiovascular, renal or hepatic diseases, 79 of whom had low-grade disc degeneration, 101 combined endplate and facet joint degeneration, 53 axial spondyloarthritis and 46 infectious spondylodiscitis. There were 232 patients with a body mass index (BMI) <30, and 47 with a BMI ≥30 (obese). For each group, the relationship between PLSE and BMI was analyzed using multiple logistic regression, and between PLSE extension and BMI using ordinal regression.

Results
A PLSE was found in 11/79 (13.9%) patients with disc degeneration, 37/101 (36.6%) with endplate and facet joint degeneration, 7/53 (13.2%) with spondyloarthritis, and 28/46 (60.9%) with spondylodiscitis. For each group, a statistically significant relationship was demonstrated between PLSE and BMI (P = 0.000–P = 0.031), except for spondylodiscitis (P = 0.054), as well as between PLSE extension and BMI (P = 0.000–P = 0.049). A PLSE was found in 21.1% of nonobese and 72.3% of obese patients (P = 0.000).

Conclusion
The presence of PLSE seems to be associated with various lumbar conditions, particularly in obese patients. Its perifascial location may suggest a potential fascial origin; however, PLSE should not to be confused with posttraumatic, postsurgical or infectious edema or edema associated with internal diseases.