bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Three‐Dimensional Capsule‐like Carbon Nanocage as a Segment Model of Capped Zigzag [12,0] Carbon Nanotubes: Synthesis, Characterization, and Complexation with C70
Authors: Cui Shengsheng , Zhuang Guilin , Lu Dapeng , Huang Qiang , Jia Hongxing , Wang Ya , Yang Shangfeng , Du Pingwu 
Published: May 2018

AbstractHerein we report the synthesis and photophysical and supramolecular properties of a novel three‐dimensional capsule‐like hexa‐peri‐hexabenzocoronene (HBC)‐containing carbon nanocage, tripodal‐[2]HBC, which is the first synthetic model of capped zigzag [12,0] carbon nanotubes (CNTs). Tripodal‐[2]HBC was synthesized by the palladium‐catalyzed coupling of triboryl hexabenzocoronene and L‐shaped cyclohexane units, followed by nickel‐mediated C−Br/C−Br coupling and subsequent aromatization of the cyclohexane moieties. The physical properties of tripodal‐[2]HBC and its supramolecular host–guest interaction with C70 were further studied by UV/Vis and fluorescence spectroscopy. Theoretical calculations revealed that the strain energy of tripodal‐[2]HBC was as high as 55.2 kcal mol−1.
Stabilisierung eines Blausäure‐Dimers mit einer Lewis‐Säure
Authors: Bläsing Kevin , Bresien Jonas , Labbow René , Schulz Axel , Villinger Alexander 
Published: May 2018

AbstractDas hoch labile Dimer vom Cyanwasserstoff, HCN⋅⋅⋅HCN, wurde aus flüssigem HCN durch Adduktbildung mittels einer sterisch anspruchsvollen Lewis‐Säure B(C6F5)3 als HCN⋅⋅⋅HCN‐B(C6F5)3 extrahiert und vollständig charakterisiert. Der Einfluss verschiedener Lösungsmittel (HCN, CH2Cl2 und aromatische Kohlenwasserstoffe) auf den Kristallisationsprozess wurde untersucht. Dimerbildung wurde beobachtet, wenn HCN oder CH2Cl2 als Lösungsmittel verwendet wurden, wohingegen der Einsatz von aromatischen Kohlenwasserstoffen zur Bildung von monomeren Aren⋅⋅⋅HCN‐ B(C6F5)3‐Addukten führte, die über eine η6‐Koordination des aromatischen Ringsystems stabilisiert sind und dadurch den bekannten Halbsandwichkomplexen ähneln.
Preferential Cation Vacancies in Perovskite Hydroxide for the Oxygen Evolution Reaction
Authors: Chen Dawei , Qiao Man , Lu Ying‐Rui , Hao Li , Liu Dongdong , Dong Chung‐Li , Li Yafei , Wang Shuangyin 
Published: May 2018

AbstractThe oxygen evolution reaction (OER) is an ideal model to study the relationship between the activity and the surface properties of catalysts. Defect engineering has been extensively developed to tune the electrocatalytic activity for OER. Compared to the anion vacancies in metal oxides, cation vacancies are more challenging to selectively generate, and the insight into the structure and activity of cation vacancies‐rich catalysts are lacked. Herein, using SnCoFe perovskite hydroxide as a precursor, abundant Sn vacancies on the surface were preferentially produced by Ar plasma. Sn vacancies could be preferentially produced as confirmed by the X‐ray absorption spectra, probably owing to the lower lattice energy and weaker chemical bonds of Sn(OH)4. The Sn vacancies promoted the exposure of active CoFe sites, resulting in an amorphous surface layer, modulated the conductivity, and thus enhanced the OER performance.
Ligand‐Induced Conformational Changes in HSP90 Monitored Time Resolved and Label Free—Towards a Conformational Activity Screening for Drug Discovery
Authors: Güldenhaupt Jörn , Amaral Marta , Kötting Carsten , Schartner Jonas , Musil Djordje , Frech Matthias , Gerwert Klaus 
Published: May 2018

AbstractInvestigation of protein–ligand interactions is crucial during early drug‐discovery processes. ATR‐FTIR spectroscopy can detect label‐free protein–ligand interactions with high spatiotemporal resolution. Here we immobilized, as an example, the heat shock protein HSP90 on an ATR crystal. This protein is an important molecular target for drugs against several diseases including cancer. With our novel approach we investigated a ligand‐induced secondary structural change. Two specific binding modes of 19 drug‐like compounds were analyzed. Different binding modes can lead to different efficacy and specificity of different drugs. In addition, the kobs values of ligand dissociation were obtained. The results were validated by X‐ray crystallography for the structural change and by SPR experiments for the dissociation kinetics, but our method yields all data in a single and simple experiment.
Emerging Carbon‐Nanofiber Aerogels: Chemosynthesis versus Biosynthesis
Authors: Wu Zhen‐Yu , Liang Hai‐Wei , Hu Bi‐Cheng , Yu Shu‐Hong 
Published: May 2018

AbstractCarbon aerogels that are typically prepared using sol–gel chemistry have unique three dimensional networks of interconnected nanometer‐sized particles and thus exhibit many fascinating physical properties and great application potentials in widespread fields. To boost the practical applications, it is necessary to develop efficient and low‐cost methods to produce high‐performance carbon aerogels on a large‐scale, preferably in a sustainable way. In 2012, two new classes of aerogels consisting of carbon‐nanofiber (CNF) networks were prepared from biomass‐derived precursors by chemosynthesis (i.e. template‐directed hydrothermal carbonization of carbohydrate) and biosynthesis (i.e. use of bacterial cellulose as precursor), respectively. This Review gives a critical overview of this emerging and rapidly developing field, focusing on the synthetic strategies of the carbon‐nanofiber aerogels and their outstanding physical properties. We also discuss the multifunctional application potentials of the two sorts of carbon aerogels and their nanocomposites, and highlight the challenges and future opportunities in this field.
Photochemically Driven Reverse Water‐Gas Shift at Ambient Conditions mediated by a Nickel Pincer Complex
Authors: Schneck Felix , Schendzielorz Florian , Hatami Nareh , Finger Markus , Würtele Christian , Schneider Sven 
Published: May 2018

AbstractThe endothermic reverse water‐gas shift reaction (rWGS) for direct CO2 hydrogenation to CO is an attractive approach to carbon utilization. However, direct CO2 hydrogenation with molecular catalysts generally gives formic acid instead of CO as a result of the selectivity of CO2 insertion into M−H bonds. Based on the photochemical inversion of this selectivity, several synthetic pathways are presented for CO selective CO2 reduction with a nickel pincer platform including the first example of a photodriven rWGS cycle at ambient conditions.
Total Chemical Synthesis of SUMO and SUMO‐Based Probes for Profiling the Activity of SUMO‐Specific Proteases
Authors: Mulder Monique P. C. , Merkx Remco , Witting Katharina F. , Hameed Dharjath S. , El Atmioui Dris , Lelieveld Lindsey , Liebelt Frauke , Neefjes Jacques , Berlin Ilana , Vertegaal Alfred C. O. , Ovaa Huib 
Published: May 2018

AbstractSUMO is a post‐translational modifier critical for cell cycle progression and genome stability that plays a role in tumorigenesis, thus rendering SUMO‐specific enzymes potential pharmacological targets. However, the systematic generation of tools for the activity profiling of SUMO‐specific enzymes has proven challenging. We developed a diversifiable synthetic platform for SUMO‐based probes by using a direct linear synthesis method, which permits N‐ and C‐terminal labelling to incorporate dyes and reactive warheads, respectively. In this manner, activity‐based probes (ABPs) for SUMO‐1, SUMO‐2, and SUMO‐3‐specific proteases were generated and validated in cells using gel‐based assays and confocal microscopy. We further expanded our toolbox with the synthesis of a K11‐linked diSUMO‐2 probe to study the proteolytic cleavage of SUMO chains. Together, these ABPs demonstrate the versatility and specificity of our synthetic SUMO platform for in vitro and in vivo characterization of the SUMO protease family.
Dianionic Titanyl and Vanadyl (Cation+)2[MIVO(Pc4−)]2− Phthalocyanine Salts Containing Pc4− Macrocycles
Authors: Konarev Dmitri V. , Kuzmin Alexey V. , Khasanov Salavat S. , Litvinov Alexey L. , Otsuka Akihiro , Yamochi Hideki , Kitagawa Hiroshi , Lyubovskaya Rimma N. 
Published: May 2018

AbstractIn this study, the titanyl and vanadyl phthalocyanine (Pc) salts (Bu4N+)2[MIVO(Pc4−)]2− (M=Ti, V) and (Bu3MeP+)2[MIVO(Pc4−)]2− (M=Ti, V) with [MIVO(Pc4−)]2− dianions were synthesized and characterized. Reduction of MIVO(Pc2−) carried out with an excess of sodium fluorenone ketyl in the presence of Bu4N+ or Bu3MeP+ is exclusive to the phthalocyanine centers, forming Pc4− species. During reduction, the metal +4 charge did not change, implying that Pc is an non‐innocent ligand. The Pc negative charge increase caused the C−N(pyr) bonds to elongate and the C−N(imine) bonds to alternate, thus increasing the distortion of Pc. Jahn–Teller effects are significant in the [eg(π*)]2 dianion ground state and can additionally distort the Pc macrocycles. Blueshifts of the Soret and Q‐bands were observed in the UV/Vis/NIR when MIVO(Pc2−) was reduced to [MIVO(Pc.3−)].− and [MIVO(Pc4−)]2−. From magnetic measurements, [TiIVO(Pc4−)]2− was found to be diamagnetic and (Bu4N+)2[VIVO(Pc4−)]2− and (Bu3MeP+)2[VIVO(Pc4−)]2− were found to have magnetic moments of 1.72–1.78 μB corresponding to an S=1/2 spin state owing to VIV electron spin. As a result, two latter salts show EPR signals with VIV hyperfine coupling.
Biocatalytic potential of Streptomyces spp. isolates from rhizosphere of plants and mycorrhizosphere of fungi
Authors: Spasic Jelena , Mandic Mina , Radivojevic Jelena , Jeremic Sanja , Vasiljevic Branka , Nikodinovic‐Runic Jasmina , Djokic Lidija 
Published: May 2018

AbstractBiocatalytic potential of Streptomyces strains isolated from the rhizosphere of plants and from mycorrhizosphere of fungi has been investigated. A total of 118 Streptomyces isolates were selected and functionally screened for 10 different biotechnologically important enzymatic activities: hydrolase (cellulase, cutinase, gelatinase, lipase, protease, polyhydroxyalkanoate (PHA) depolymerase), phenol oxidase and peroxidase (laccase, tyrosinase, and lignin peroxidase), and aminotransferase. Out of 118 tested Streptomyces spp., 90% showed at least one enzymatic activity. The most abundant were enzymes involved in the biomass degradation, as the production of cutinase, cellulase, and lignin peroxidase were detected in 31%, 40%, and 48% of the isolates, respectively. The improved specific activities of lipase (isolates BV315 and BV100) and tyrosinase (isolates BV87 and BV88) were shown in comparison with the industrially relevant activities of Pseudomonas strains. Plant rhizosphere soils were more prolific source of Streptomyces strains with biocatalytic potential in comparison with mycorrhizosphere soils. Overall, 284 enzyme activities among 118 Streptomyces isolates have been detected. This is the first comprehensive screening of Streptomyces isolates from rhizosphere and mycorrhizosphere soils for novel biocatalysts, showing that specific environmental habitats, such as rhizosphere soils, are “treasure troves” of Streptomyces with biocatalytic potential.
Conceptual process design and ­simulation of microalgae oil ­conversion to aviation fuel
Authors: Bwapwa Joseph K. , Anandraj Akash , Trois Cristina 
Published: May 2018

AbstractMicroalgae oil can be converted into aviation fuel to reduce dependence on fossil fuels and decrease the carbon footprint. This could be a significant step toward sustainable energy resources that have the potential to produce ‘drop‐in’ fuels. Algae‐based fuels are potential substitutes for fossil fuels due to the quality of their crude oil. However, this is only possible if appropriate conversion processes are undertaken. Conversely, microalgae species have low lipid content and biomass harvesting is still an energy‐demanding process. In this study, a conceptual design is developed for the conversion of microalgae oil to jet fuel. It is based on a process undertaken in the laboratory using a species named Nannochloropsis sp. Nutrients and CO2 were supplied to the growing culture for effective growth. Biomass harvesting was completed on the tenth day of the growth cycle. It was followed by physiological modification to improve lipid content. Finally, crude oil extraction was followed by bio‐oil hydrocracking at 350 °C, and fractionation of cracked bio‐oil between 70 and 300 °C to separate light‐, middle‐, and heavy‐end hydrocarbons for use in the production of jet fuel. During simulation, reforming and upgrading processes were added to the design to enhance the quality of the jet fuel to be produced on large scale in the future. The study, including the results, suggests that it is technically feasible to convert microalgae oil into jet fuel because of the similarity between algae bio‐oil and petroleum crude oil. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
MANF attenuates neuronal apoptosis and promotes behavioral recovery via Akt/MDM‐2/p53 pathway after traumatic spinal cord injury in rats
Authors: Gao Liansheng , Xu Weilin , Fan Shuangbo , Li Tao , Zhao Tengfei , Ying Guangyu , Zheng Jingwei , Li Jianru , Zhang Zhongyuan , Yan Feng , Zhu Yongjian , Chen Gao 
Published: May 2018

AbstractThe aim of this study was to investigate the potential effect and mechanism of action of MANF in attenuating neuronal apoptosis following t‐SCI. A clip compressive model was used to induce a crush injury of the spinal cord in a total of 230 rats. The Basso, Beattie, and Bresnahan (BBB) score, spinal cord water content, and blood spinal cord barrier (BSCB) permeability were evaluated. The expression levels of MANF and its downstream proteins were examined by western blotting. Immunofluorescence staining of MANF, NeuN, GFAP, Iba‐1, cleaved caspase‐3, and TUNEL staining were also performed. Cells were counted in six randomly selected fields in the gray matter regions of the sections from two spinal cord sites (2 mm rostral and caudal to the epicenter of the injury) per sample. A cell‐based mechanical injury model was also conducted using SH‐SY5Y cells. Cell apoptosis and viability were assessed by flow cytometry, an MTT assay, and trypan blue staining. Subcellular structures were observed by transmission electron microscopy. MANF was mainly expressed in neurons. The expression levels of MANF, and its downstream target, p‐Akt, were gradually increased and after t‐SCI. Treatment with MANF increased Bcl‐2 and decreased Bax and CC‐3 levels; these effects were reversed on treatment with MK2206. The BBB score, spinal cord water content, and BSCB destruction were also ameliorated by MANF treatment. MANF decreases neuronal apoptosis and improves neurological function through Akt/MDM‐2/p53 pathway after t‐SCI. Therefore, MANF might be a potential treatment for patients with t‐SCI. © 2018 BioFactors, 44(4):369–386, 2018
Prehospital identification of factors associated with death during one‐year follow‐up after acute stroke
Authors: Hansson Per‐Olof , Andersson Hagiwara Magnus , Brink Peter , Herlitz Johan , Wireklint Sundström Birgitta 
Published: May 2018

AbstractObjectivesIn acute stroke, the risk of death and neurological sequelae are obvious threats. The aim of the study was to evaluate the association between various clinical factors identified by the emergency medical service (EMS) system before arriving at hospital and the risk of death during the subsequent year among patients with a confirmed stroke.Material and MethodsAll patients with a diagnosis of stroke as the primary diagnosis admitted to a hospital in western Sweden (1.6 million inhabitants) during a four‐month period were included. There were no exclusion criteria.ResultsIn all, 1,028 patients with a confirmed diagnosis of stroke who used the EMS were included in the analyses. Among these patients, 360 (35%) died during the following year. Factors that were independently associated with an increased risk of death were as follows: (1) high age, per year OR 1.07; 95% CI 1.05‐1.09; (2) a history of heart failure, OR 2.08; 95% CI 1.26‐3.42; (3) an oxygen saturation of <90%, OR 8.05; 95% CI 3.33‐22.64; and (4) a decreased level of consciousness, OR 2.19; 95% CI 1.61‐3.03.ConclusionsAmong patients with a stroke, four factors identified before arrival at hospital were associated with a risk of death during the following year. They were reflected in the patients’ age, previous clinical history, respiratory function, and the function of the central nervous system.
Phaneros: Visibility‐based framework for massive peer‐to‐peer virtual environments
Authors: Çevikbaş Şafak Burak , İşler Veysi 
Published: May 2018

AbstractContemporary distributed virtual environments are growing out of terabytes of 3D content and hundreds of thousands of users. Server–client architectures have become inadequate for fulfilling the scalability requirements. The peer‐to‐peer architectures provide inherently scalable, cost‐effective distributed solutions for distributed virtual environments. We present a fully distributed peer‐to‐peer framework, Phaneros, which is capable of providing necessary means to realize more efficient and more scalable massive distributed virtual environments. Using the presented visibility‐aware interest management, Phaneros performs better than existing overlays, achieving single‐hop update dissemination while having lower bandwidth requirements. The provided visibility‐aware 3D streaming scheme distributes 3D content more efficiently without creating any significant load on the server. Our test results show significant improvements over existing frameworks.
Phenolic Profile of Artemisia alba Turra
Authors: Trendafilova Antoaneta , Todorova Milka , Genova Victoria , Peter Samuel , Wolfram Evelyn , Danova Kalina , Evstatieva Luba 
Published: May 2018

The aim of this study was to evaluate flower and leaf methanol extracts of Artemisia alba Turra for their total phenolic and flavonoid contents, antioxidant capacity and to investigate their phenolic composition. The flower extract was richer in total phenolics and flavonoids and possessed higher antioxidant activity through DPPH and ABTS assays. The UHPLC‐PDA‐MS analysis of the flower and leaf methanol extracts revealed similar phenolic profile and allowed identification of 31 phenolic compounds (flavonoids, coumarins, and phenolic acids) by comparison with the respective reference compounds or tentatively characterized by their chromatographic behavior, UV patterns, and MS fragmentations. The presence of hispidulin, jaceosidin, desmethoxycentaureidin, and dicaffeoyl esters of quinic acid in A. alba is reported herein for the first time. The distribution of flavonoids in A. alba from different origins was discussed from chemotaxonomic point of view.
Modulation of inflammatory and hormonal parameters in response to testosterone therapy: Effects on the ventral prostate of adult rats
Authors: Mendes Leonardo O. , Castilho Anthony C. S. , Pinho Cristiane F. , Gonçalvez Bianca F. , Razza Eduardo M. , Chuffa Luiz Gustavo A. , Anselmo‐Franci Janete A. , Scarano Wellerson R. , Martinez Francisco E. 
Published: May 2018

AbstractTestosterone is often recommended in the treatment of several aging‐related conditions. However, there are still questions about the consequences of this therapy in terms of hormonal and inflammatory parameters that are crucial for prostate homeostasis. Thus, we investigate if the testosterone therapy (TT) modulates the hormone receptors and inflammatory cytokines in the ventral prostate of adult rats. Wistar rats aging 150 days were divided into two experimental groups (n = 10/group): T: received subcutaneous injections of testosterone cypionate (5 mg/kg body weight) diluted in corn oil every other day for 4 weeks; and C: received corn oil as vehicle. Animals were euthanized at 180 days old by decapitation. Blood was collected to obtain hormone and cytokines concentrations. The ventral prostate was dissected and processed for light microscope and molecular analyses. Relative ventral prostate weight and epithelial compartment were increased after TT. The number of intact and degranulated mast cells was reduced in the T group. Plasma testosterone, DHT and intraprostatic testosterone concentrations were higher in the T group. TT leads to an increase in cell proliferation and up‐regulation of AR, ERβ, PAR‐4, and NRF2. Importantly, plasma concentration and tissue expression of IL‐10 and TNF‐α were higher after TT. In summary, these results indicate that TT can regulate inflammatory response, with impacts in cytokines and mast cell population, and modulates steroids receptors, important parameters for prostatic homeostasis.
Caesium for Perovskite Solar Cells: An Overview
Authors: Bella Federico , Renzi Polyssena , Cavallo Carmen , Gerbaldi Claudio 
Published: May 2018

AbstractPerovskite solar cells have the potential to revolutionize the world of photovoltaics, and their efficiency close to 23 % on a lab‐scale recently certified this novel technology as the one with the most rapidly raising performance per year in the whole story of solar cells. With the aim of improving stability, reproducibility and spectral properties of the devices, in the last three years the scientific community strongly focused on Cs‐doping for hybrid (typically, organolead) perovskites. In parallel, to further contrast hygroscopicity and reach thermal stability, research has also been carried out to achieve the development of all‐inorganic perovskites based on caesium, the performances of which are rapidly increasing. The potential of caesium is further strengthened when it is used as a modifying agent of charge‐carrier layers in solar cells, but also for the preparation of perovskites with peculiar optoelectronic properties for unconventional applications (e.g., in LEDs, photodetectors, sensors, etc.). This Review offers a 360‐degree overview on how caesium can strongly tune the properties and performance of perovskites and relative perovskite‐based devices.
A Unique LnIII{[3.3.1]GaIII Metallacryptate} Series That Possesses Properties of Slow Magnetic Relaxation and Visible/Near‐Infrared Luminescence
Authors: Lutter Jacob C. , Eliseeva Svetlana V. , Kampf Jeff W. , Petoud Stéphane , Pecoraro Vincent L. 
Published: May 2018

AbstractA new family of [3.3.1] metallacryptates with the general composition [LnGa6(H2shi)(Hshi)(shi)7(C5H5N)] (Ln‐1; shi3−=salicylhydroximate; Ln = Pr, Nd, Sm–Yb) has been synthesized and characterized. Ln‐1 display both interesting magnetic and luminescent properties. Sm‐1 has sharp emission bands in the visible and the near‐infrared (NIR) regions with quantum yield values (
) of 1.64(9) and 5.5(2).10−2 %, respectively. Tb‐1 exhibits a weak green emission (
=1.89(3).10−1 %) while Pr‐1, Nd‐1, Ho‐1, Er‐1, and Yb‐1 possess emission bands in the NIR range with
=3.7(2).10−3 %,
=1.71(5).10−1 %,
=1.1(2).10−3 %,
=7.1(2).10−3 % and
=0.65(3) %. Nd‐1, Dy‐1, and Yb‐1 display slow magnetization relaxation in an applied field, where only Dy‐1 has been observed to follow an Orbach process (Ueff=12.7 K). The combination of NIR emission with magnetic properties makes Nd‐1 and Yb‐1 attractive candidates as smart materials addressable in two manners.
Synthesis of Azaphosphinines by Directed Inverse‐Electron‐Demand Hetero‐Diels–Alder Reactions with Na(OCP)
Authors: Hansmann Max M. 
Published: May 2018

AbstractHerein, a straightforward synthetic approach towards azaphosphinines is reported. The synthesis of 1,3‐ and 1,4‐aza‐λ3‐phosphinines as well as 1,2,4‐diaza‐λ3‐phosphinines by inverse‐electron‐demand hetero‐Diels–Alder reactions of sodium 2‐phosphaethynolate [NaOCP] with triazines and tetrazines is studied. In the case of 1,2,4‐triazines a hetero‐D.A. reaction was developed, which relies on a new directing‐group approach based on the complexation of sodium to form an ionic Do→Na‐OCP tether. The first X‐ray characterization data for aza‐λ3‐phosphinines as well as the first phosphinine triflates are presented.