bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Antiproliferative and Cytotoxic Activities, DNA Binding Features and Molecular Docking Study of Novel Enamine Derivatives
Authors: Burcu Gürdere Meliha , Aydin Ali , Yencilek Belkız , Ertürk Fatih , Özbek Oğuz , Erkan Sultan , Budak Yakup , Ceylan Mustafa 
Published: May 2020

AbstractNovel enamine derivatives were synthesized from the reaction of lactone and chalcones and their antiproliferative and cytotoxic activities against six cancer cell lines (e. g., HeLa, HT29, A549, MCF7, PC3 and Hep3B) and one normal cell lines (e. g., FL) were investigated along with their mode of interactions with CT‐DNA. Most of the enamine derivatives with IC50values of 86–168 μM demonstrated much stronger antiproliferative activity than the starting molecules against the cancer cells. While, among the enamine derivatives, four compounds displayed higher cytotoxic potency than the control drugs (5‐fluorouracil and cisplatin) against the Hep3B cell lines, these compounds did not exhibit any significant toxicity against normal cells, FL. The UV/VIS spectral data suggest that eight compounds cause hypochromism with a slight bathochromic shift (∼6 nm), indicating that they bind to the DNA by way of an intercalative or minor groove binding mode. The binding constants of the compounds are in the range of 0.1×103 M−1–2.3×104 M−1. The antiproliferative activity of studied enamine derivatives could possibly be due to their DNA binding as well as their cytotoxic properties. In addition to these assays, the chalcones and enamine derivatives were investigated by molecular docking to calculate the synergistic effect of antiproliferative activities against six human cancer cell lines.
FCRL3 promotes IL‐10 expression in B cells through the SHP‐1 and p38 MAPK signaling pathways
Authors: Cui Xiao , Liu Chong‐mei , Liu Qi‐bing 
Published: May 2020

AbstractMultiple sclerosis (MS) is an autoimmune disease of the central nervous system that is caused by the interaction of genetic and environmental factors. Current studies have shown that Fc‐receptor like‐3 (FCRL3) is closely related to MS, but the specific role of FCRL3 in MS has not yet been clarified. This study further found that FCRL3 and interleukin 10 (IL‐10) expression was downregulated in MS patients, but the expression of these proteins was higher in the remission phase than that in the acute phase. The C allele of rs7528684 was associated with MS, and the CC genotype could lead to the upregulation of FCRL3 expression and the increase in IL‐10 secretion. Further in vitro experiments with B cells found that lipopolysaccharide (LPS) promoted FCRL3 expression in a dose‐ and time‐dependent manner, thereby promoting IL‐10 secretion. LPS regulated Src homology region 2 domain‐containing phosphatase‐1 (SHP‐1) expression and p38 mitogen‐activated protein kinase (MAPK) pathway activation through FCRL3, and FCRL3 upregulated the SHP‐1 expression and p38 phosphorylation levels. When SHP‐1 small interfering RNA or a p38 pathway inhibitor was added, the effect of FCRL3 on IL‐10 secretion was significantly inhibited. In addition, FCRL3 inhibited the secretion of inflammatory factors (tumor necrosis factor‐α, IL‐1β, IL‐6, and IL‐8); after inhibiting the expression of IL‐10, the abovementioned effects of FCRL3 were blocked. These results suggest that FCRL3 can activate the SHP‐1 and p38 MAPK pathways and then promote the secretion of IL‐10 in B cells, thus inhibiting the secretion of inflammatory factors. Therefore, FCRL3 may play an immunoprotective role in MS, and it will be an effective target for the diagnosis and treatment of MS.
Novel insights on outcome in horizontal aorta with self‐expandable new‐generation transcatheter aortic valve replacement devices
Authors: Veulemans Verena , Maier Oliver , Bosbach Georg , Polzin Amin , Piayda Kerstin , Afzal Shazia , Jung Christian , Westenfeld Ralf , Kelm Malte , Zeus Tobias 
Published: May 2020

AbstractBackgroundThe impact of a horizontal aorta (HA) on adverse events (AE) following in transcatheter aortic valve replacement (TAVR) is dealt controversially. Using new‐generation self‐expandable devices, we aimed to reevaluate an appropriate threshold of the aortic root angulation (ARA) in terms of HA and its impact on outcome.MethodsThe 466 consecutive patients, who underwent transfemoral TAVR with self‐expandable new‐generation devices, were analyzed. Patients were classified into cases with HA (ARA ≥ 51°; n = 225; 48%) and without HA (ARA <51°; n = 241; 52%). Primary endpoints were device success and 30‐day mortality. Secondary endpoints were specific AE according to VARC‐2 definitions.ResultsContrast use (107.6 ± 50.1 vs. 94.1 ± 46.1 ml; p = .033) and radiation dose (3,176 [1,928–5,596] vs. 2,651 [1,643–4,394] Gyxcm2; p = .016) were higher in HA. Primary device success was comparable (97.1 vs. 97.8%; p = .773). A 30‐day mortality (3.3 vs. 0.4%; p = .038, plogrank = 0.025), stroke (7.1 vs. 2.7%; p = .033), and major vascular complications (MVASC) (6.6 vs. 2.7%; p = .050) were more frequent in HA. Pronounced calcification of the noncoronary cusp and left ventricular outflow tract, the condition of HA, as well as repositioning maneuvers were independent predictors for overall specific AE.ConclusionAn HA above 51° is associated with an increased rate of stroke, MVASC, and 30‐day mortality. Valve size and asymmetric calcification affect the incidence of repositioning maneuvers and subsequent VARC‐2 AE, indicating that an HA—together with specific anatomic features—remains a crucial factor for TAVR‐related outcome with self‐expandable new‐generation devices.
Synthesis of Nitrogen‐Doped Microporous/Mesoporous Carbon with Enhanced Pseudocapacitive Behavior for High‐Performance Symmetrical Supercapacitors
Authors: Guo Jia‐Kang , Liu Jian , Kong Ling‐Bin 
Published: May 2020

AbstractHierarchical porous carbons are widely used as electrode materials for supercapacitors; however, promotion of the specific capacitance and energy density remains a challenge. Here, we design a N‐doped hierarchical microporous/mesoporous carbon (NMC) fabricated through the one‐step heat treatment of interpenetrating polymer networks. The pores are obtained by phase separation of the two network polymers with physical penetration and subsequent pyrolysis of the sacrificial polymers to shape the rich micropores/mesopores on the pore wall of a honeycomb‐like carbon skeleton formed from carbon precursors. In particular, the optimized NMC possesses an ultrahigh specific surface area of 1969.0 m2 g−1 and a pore volume of 1.092 cm3 g−1, as well as homogeneous distribution of elemental nitrogen. The NMC also exhibits a distinguished specific capacitance of 261.6 F g−1 at 0.5 A g−1 and an excellent cycling stability of 100 % after 10 000 cycles in 6 M KOH in a three‐electrode system. Impressively, in situ heteroatom doping of NMC effectively enhances the specific capacitance, and the proportion of pseudocapacitive performance can be as high as 25.4 % of the total capacitance. Symmetrical supercapacitors assembled with two protruding electrodes deliver a high energy density of 23.9 W h kg−1 at 225 W kg−1 and an outstanding cycling stability of 93 % after 10 000 cycles in 1 M Na2SO4. All of these features indicate that N‐doped microporous/mesoporous carbon is a promising electrode material for supercapacitors.
In Search of Fulminate Analogues: LnM≡CP=NR
Authors: Frogley Benjamin J. , Hill Anthony F. , Shang Rong , Sharma Manab , Willis Anthony C. 
Published: May 2020

AbstractThe “CPNR” ligand may be viewed as being isolobal with fulminate, CNO; however, attempts to prepare a complex of such a ligand resulted instead in a range of novel imino and aminophosphinocarbyne complexes. Sequential treatment of [Mo(≡CBr)(CO)2(Tp*)] (Tp*=hydrotris(dimethylpyrazolyl)borate) with nBuLi and ClP=NMes* (Mes*=C6H2tBu3‐2,4,6) afforded mixtures of the complexes [Mo(≡CPnBuNHMes*)(CO)2(Tp*)] and traces of the bimetallic products [Mo2{μ2‐C2P2O(NHMes)2}(CO)4(Tp*)2] and [Mo2(μ2‐C2PNHMes)(CO)4(Tp*)2]. The reaction of [W(≡CBr)(CO)2(Tp*)] with nBuLi and ClP=NMes* afforded predominantly the mononuclear carbyne [W{≡CP(=NMes*)nBu2})(CO)2(Tp*)] and traces of the binuclear complex [W2(μ‐C2PNHMes)(CO)4(Tp*)2] which is also obtained when tBuLi is used. Although not isolable, the intended complexes [M(≡CPNMes*)(CO)2(Tp*)] could be generated in situ and spectroscopically characterized via the reactions of the stannyl carbynes [M(≡CSnnBu3)(CO)2(Tp*)] and ClP=NMes*. The preceding observations are mechanistically interpreted with reference to a computational interrogation of the model complex [Mo(≡CP=NCH3)(CO)2(Tp*)], the LUMO of which has considerable phosphorus character.
Electrochemistry of Electrode Materials Containing S−Se Bonds for Rechargeable Batteries
Authors: Guo Wei , Fu Yongzhu 
Published: May 2020

AbstractSulfur (S) and selenium (Se) have been considered as promising high capacity cathode materials for rechargeable batteries. They have differences in their physical properties (e.g., electronic conductivity) but the same number of electrons in their outermost shells, which leads to similarity in their electrochemical behavior in batteries. In recent years, some efforts have been taken to combine them in electrodes in the hope of improved battery performance. The S−Se bonds of these electrode materials lead to unusual properties and intriguing electrochemical behavior, which have attracted increasing interest. In this Minireview, electrode materials containing S−Se bonds are summarized, including inorganic SxSey solid solutions, organic compounds, and organic–inorganic hybrid materials. Our understanding in these materials is still premature, but they have shown unique properties to be electrode materials. We hope this Minireview could provide a new insight into the design, synthesis, and understanding of these materials, which could enable high energy density rechargeable batteries.
Grafting of Lanthanum Complexes on a Functionalized Graphene Surface: Theoretical Investigation on Ethylene and 1,3‐Butadiene Homo‐ and Co‐Polymerization
Authors: Bathellier Adrien , Moreno Diego , Maron Laurent , Dinoi Chiara , del Rosal Iker 
Published: May 2020

AbstractIn this contribution, we describe the use of graphene as an efficient catalyst support and the role it plays in increasing the Lewis acidity of the supported metal complexes. By a density functional theory study, we show that the [La(N(SiMe3)2)3] complex can be easily grafted on graphene‐OH and ‐COOH functionalized surfaces. Two stable mono‐grafted compounds, (gO)‐[La(N(SiMe3)2)2] and (gOO)‐[La(N(SiMe3)2)2], are formed, behaving as stronger Lewis acids than the previously reported silica grafted analogues. To study the role of the graphene support in catalysis, we also computed the catalytic activity of the alkylated (gO)‐[La(CH3)2] and (gOO)‐[La(CH3)2] complexes in the ethylene and 1,3‐butadiene homo‐ and co‐polymerization reactions. Both compounds are efficient catalysts for the homo‐polymerization of the ethylene and 1,3‐butadiene. For the 1,3‐butadiene homo‐polymerization, the stereoselectivity outcome of the reaction differs according to the grafting site. The results computed for the co‐polymerization reaction, finally, show that the high stability of the allylic products leads to the formation of block copolymers.
Synthesis and Structures of Polyphenylphenanthrenes
Authors: Xiao Yonglong , Mague Joel T. , Donahue James P. , Wilson Laura J. , Kraml Christina M. , Pascal Robert A. 
Published: May 2020

Abstract1,2,3,4,5,6,7,8‐Octaphenylphenanthrene (4) and decaphenylphenanthrene (5) were prepared by very short syntheses (two or three steps) from tetraphenylfuran and polybrominated benzene derivatives. The X‐ray structures of compounds 4 and 5 show them to be quite crowded, with the phenanthrene cores twisted by about 40° due to the clash of the C4 and C5 phenyl groups. Compound 4 was resolved by chromatography on a chiral support, and its free energy of activation for racemization was determined to be 24.6 kcal mol−1 at 40 °C. Computational studies indicate that compound 5 has a racemization barrier approximately 6 kcal mol−1 lower than 4, and thus 5 would not be configurationally stable at room temperature.
Tuning Aqueous Supramolecular Polymerization by an Acid‐Responsive Conformational Switch
Authors: Rest Christina , Philips Divya Susan , Dünnebacke Torsten , Sutar Papri , Sampedro Angel , Droste Jörn , Stepanenko Vladimir , Hansen Michael Ryan , Albuquerque Rodrigo Q. , Fernández Gustavo 
Published: May 2020

AbstractBesides their widespread use in coordination chemistry, 2,2’‐bipyridines are known for their ability to undergocis–transconformational changes in response to metal ions and acids, which has been primarily investigated at the molecular level. However, the exploitation of such conformational switching in self‐assembly has remained unexplored. In this work, the use of 2,2’‐bipyridines as acid‐responsive conformational switches to tune supramolecular polymerization processes has been demonstrated. To achieve this goal, we have designed a bipyridine‐based linear bolaamphiphile,1, that forms ordered supramolecular polymers in aqueous media through cooperative aromatic and hydrophobic interactions. Interestingly, addition of acid (TFA) induces the monoprotonation of the 2,2’‐bipyridine moiety, leading to a switch in the molecular conformation from a linear (trans) to a V‐shaped (cis) state. This increase in molecular distortion along with electrostatic repulsions of the positively charged bipyridine‐H+units attenuate the aggregation tendency and induce a transformation from long fibers to shorter thinner fibers. Our findings may contribute to opening up new directions in molecular switches and stimuli‐responsive supramolecular materials.
Influence of Culture Conditions on Poly‐3‐Hydroxybutyrate Production by a Newly Isolated Bacillus cereus Y23
Authors: Yashchuk Oxana , Hermida Élida B 
Published: May 2020

AbstractPolyhydroxyalkanoates (PHAs), environmental friendly polyesters, can be produced by a wide range of microorganisms in nutrient‐limiting conditions. In the present study a new bacterial strain, able to produce high quantities of poly‐3‐hydroxybutyrate (PHB), is isolated from contaminated soil. The isolate is characterized and identified as Bacillus cereus Y23, based on morphological, physiological characteristics, and 16S ribosomal RNA gene sequences. PHB production is evaluated using different carbon and nitrogen sources and nutritional and culture conditions are optimized. The highest PHB production of 5.12 g L−1 was obtained in growth medium containing fructose and ammonium sulfate at a C/N ratio of 30, 0.3% yeast extract, 4.5 g L−1 phosphate solution, pH 7, inoculum size of 0.3%, and agitation rate of 150 rpm after 48 h of incubation at 32 °C. The PHB production decrement can be attributed to the intracellular utilization of the polymer during the stationary phase of the cellular growth and to the sporulation process. The presence of the main functional groups of PHB polymer is verified by Fourier‐transform infrared analysis. At optimum conditions, B. cereus Y23 turned out to be a good candidate for industrial production of PHB since it accumulates up to 67.9% of its dry weight.
Chiral, Thermally Irreversible and Quasi‐Stealth Photochromic Dopant to Control Selective Reflection Wavelength of Cholesteric Liquid Crystal
Authors: Kurosaki Yoshihisa , Sagisaka Toshiya , Matsushima Tomoo , Ubukata Takashi , Yokoyama Yasushi 
Published: May 2020

AbstractA chiral and thermally irreversible photochromic fulgide derivative incorporating an (R)‐binaphthol unit in its acid anhydride moiety was used for the photoswitching of the pitch length of cholesteric liquid crystals. Since the absorption maximum wavelengths of both thermally stable photoisomers are nearly in the UV region (quasi‐stealth photochromism), it can be exposed to visible light without inducing photochromic reactions. Therefore, when the photoswitching molecule is added to a permanent cholesteric liquid crystal whose reflection light wavelength is in the visible region, the UV light‐induced photochromic reaction of the photoswitching molecule changes the wavelength of the reflection light in the visible light region. We have succeeded in regulating the color of cholesteric liquid crystalline cells between red and blue upon UV light irradiation. Attempts to introduce this system in polymer dispersed cholesteric liquid crystals are also described.
Intrinsic Luminescence from Nonaromatic Biomolecules
Authors: Wang Yunzhong , Zhao Zihao , Yuan Wang Zhang 
Published: May 2020

AbstractNovel emitters that do not contain traditional chromophores but only electron‐rich moieties (e. g. amine, C=O, −OH, ether, and imide), which are classified as nonconventional luminophores, have been more frequently reported. Although more and more examples have been demonstrated, their emission mechanism remains unclear. The clustering‐triggered emission (CTE) mechanism has previously been proposed to rationalize the luminescence of unconventional chromophores. Moreover, great attention has been paid to the distinctive inherent luminescence from nonaromatic biomolecules such as cellulose, starch, sugars, and nonaromatic amino acids and proteins. In this Review, we summarize these unconventional biomolecular luminophores and apply the CTE mechanism to rationalize such a phenomenon. This Review may shed new light on the understanding of intrinsic emission of nonaromatic biomolecules and decipher the intrinsic fluorescence from cells and tissues.
Posting edited photos of the self: Increasing eating disorder risk or harmless behavior?
Authors: Wick Madeline R. , Keel Pamela K. 
Published: May 2020

AbstractObjectiveSocial media use has been implicated as a correlate and a cause of increased disordered eating (DE), but little is known about the impact of specific aspects of social media use, such as posting edited photos of the self. Utilizing a two‐stage design, the present study sought to determine how posting edited photos relates to DE, as well as anxiety and depression symptoms, in male and female college students.MethodStage 1 examined concurrent associations between posting edited photos and mental health measures in 2,485 undergraduates (76% female). Stage 2 examined causal associations between posting edited photos and eating disorder (ED) risk factors in 80 undergraduates (93% female) who endorsed posting edited photos in Stage 1 and volunteered for the experimental portion of the study.ResultsIn Stage 1, those who endorsed posting edited photos (n = 660; 27%) reported greater eating pathology and anxiety than those who did not, but no differences were found for depressive symptoms. In Stage 2, posting edited photos caused increased weight/shape concerns. Posting photos reinforced urges to exercise and restrict food intake and anxiety. Editing photos without posting caused an immediate decrease in weight/shape concerns and a delayed decrease in sadness.DiscussionResults support a consistent and direct link between posting edited photos and ED risk factors, suggesting that this is not a harmless behavior. Future work should explore the cumulative effects of this link to determine how specific uses of social media contribute to clinically meaningful outcomes.
Four raised to one equals one: A genetic approach to the Pseudolaelia vellozicola complex does not follow a math rule
Authors: Nazareno Alison Gonçalves , Neto Luiz Menini , Buzatti Renata Santiago de Oliveira , Berg Cássio van den , Forzza Rafaela Campostrini 
Published: May 2020

AbstractPseudolaelia is a genus endemic to the eastern Brazilian Atlantic Forest, consisting of 12 accepted species. Some Pseudolaelia species, such as P. vellozicola, P. aguadocensis, P. oliveirana, and P. regentii, referred to here as the PV complex, present extensive intra‐ and interpopulation morphological polymorphism, raising uncertainty regarding their circumscriptions. Although previous morphological analyses were used to solve the generic boundaries in the PV complex, persuasive genetic evidence is lacking. In order to test the hypothesis that the group under investigation contains only one taxon, amplification profiles of five intersimple sequence repeat (ISSR) markers were used to evaluate genetic diversity, genetic structure, and the relationships among the PV complex species. A total of 134 reproductive individuals were sampled in eight insular populations. Intrapopulation genetic analysis indicated low levels of genetic diversity. Analysis of genetic structure revealed that each of the eight sample locations can be considered unique biological populations as they are highly differentiated from each other. The Mantel test showed a high and positive correlation between genetic and geographic distance (r = .841, p < .002), indicating isolation by distance. The results are consistent with that expected for plants with insular geographical distribution. When testing for the null hypothesis, the low levels of genetic variation among species (FCT = 0.155) suggest that the populations constitute only one highly polymorphic species with a wide distribution.
Detecting shrub encroachment in seminatural grasslands using UAS LiDAR
Authors: Madsen Bjarke , Treier Urs A. , Zlinszky András , Lucieer Arko , Normand Signe 
Published: May 2020

Abstract

Shrub encroachment in seminatural grasslands threatens local biodiversity unless management is applied to reduce shrub density. Dense vegetation of Cytisus scoparius homogenizes the landscape negatively affecting local plant diversity. Detecting structural change (e.g., biomass) is essential for assessing negative impacts of encroachment. Hence, exploring new monitoring tools to achieve this task is important for effectively capturing change and evaluating management activities.

This study combines traditional field‐based measurements with novel Light Detection and Ranging (LiDAR) observations from an Unmanned Aircraft System (UAS). We investigate the accuracy of mapping C. scoparius in three dimensions (3D) and of structural change metrics (i.e., biomass) derived from ultrahigh‐density point cloud data (>1,000 pts/m2). Presence–absence of 12 shrub or tree genera was recorded across a 6.7 ha seminatural grassland area in Denmark. Furthermore, 10 individuals of C. scoparius were harvested for biomass measurements. With a UAS LiDAR system, we collected ultrahigh‐density spatial data across the area in October 2017 (leaf‐on) and April 2018 (leaf‐off). We utilized a 3D point‐based classification to distinguish shrub genera based on their structural appearance (i.e., density, light penetration, and surface roughness).

From the identified C. scoparius individuals, we related different volume metrics (mean, max, and range) to measured biomass and quantified spatial variation in biomass change from 2017 to 2018. We obtained overall classification accuracies above 86% from point clouds of both seasons. Maximum volume explained 77.4% of the variation in biomass.

The spatial patterns revealed landscape‐scale variation in biomass change between autumn 2017 and spring 2018, with a notable decrease in some areas. Further studies are needed to disentangle the causes of the observed decrease, for example, recent winter grazing and/or frost events.

Synthesis and applications: We present a workflow for processing ultrahigh‐density spatial data obtained from a UAS LiDAR system to detect change in C. scoparius. We demonstrate that UAS LiDAR is a promising tool to map and monitor grassland shrub dynamics at the landscape scale with the accuracy needed for effective nature management. It is a new tool for standardized and nonbiased evaluation of management activities initiated to prevent shrub encroachment.