bluuebunny/crossref_metadata_2025_split huggingface dataset:
Formation of Azulene‐Embedded Nanographene: Naphthalene to Azulene Rearrangement During the Scholl Reaction
Authors: Han Yi , Xue Zibo , Li Guangwu , Gu Yanwei , Ni Yong , Dong Shaoqiang , Chi Chunyan 
Published: February 2020

AbstractIncorporation of a non‐hexagonal ring into a nanographene framework can lead to new electronic properties. During the attempted synthesis of naphthalene‐bridged double [6]helicene and heptagon‐containing nanographene by the Scholl reaction, an unexpected azulene‐embedded nanographene and its triflyloxylated product were obtained, as confirmed by X‐ray crystallographic analysis and 2D NMR spectroscopy. A 5/7/7/5 ring‐fused substructure containing two formal azulene units is formed, but only one of them shows an azulene‐like electronic structure. The formation of this unique structure is explained by arenium ion mediated 1,2‐phenyl migration and a naphthalene to azulene rearrangement reaction according to an in‐silico study. This report represents the first experimental example of the thermodynamically unfavorable naphthalene to azulene rearrangement and may lead to new azulene‐based molecular materials.
High‐Throughput Proteomics Enabled by a Photocleavable Surfactant
Authors: Brown Kyle A. , Tucholski Trisha , Eken Christian , Knott Samantha , Zhu Yanlong , Jin Song , Ge Ying 
Published: February 2020

AbstractMass spectrometry (MS)‐based proteomics provides unprecedented opportunities for understanding the structure and function of proteins in complex biological systems; however, protein solubility and sample preparation before MS remain a bottleneck preventing high‐throughput proteomics. Herein, we report a high‐throughput bottom‐up proteomic method enabled by a newly developed MS‐compatible photocleavable surfactant, 4‐hexylphenylazosulfonate (Azo) that facilitates robust protein extraction, rapid enzymatic digestion (30 min compared to overnight), and subsequent MS‐analysis following UV degradation. Moreover, we developed an Azo‐aided bottom‐up method for analysis of integral membrane proteins, which are key drug targets and are generally underrepresented in global proteomic studies. Furthermore, we demonstrated the ability of Azo to serve as an “all‐in‐one” MS‐compatible surfactant for both top‐down and bottom‐up proteomics, with streamlined workflows for high‐throughput proteomics amenable to clinical applications.
Manipulating Layered P2@P3 Integrated Spinel Structure Evolution for High‐Performance Sodium‐Ion Batteries
Authors: Zhu Yan‐Fang , Xiao Yao , Hua Wei‐Bo , Indris Sylvio , Dou Shi‐Xue , Guo Yu‐Guo , Chou Shu‐Lei 
Published: February 2020

AbstractStructural evolution of the cathode during cycling plays a vital role in the electrochemical performance of sodium‐ion batteries. A strategy based on engineering the crystal structure coupled with chemical substitution led to the design of the layered P2@P3 integrated spinel oxide cathode Na0.5Ni0.1Co0.15Mn0.65Mg0.1O2, which shows excellent sodium‐ion half/full battery performance. Combined analyses involving scanning transmission electron microscopy with atomic resolution as well as in situ synchrotron‐based X‐ray absorption spectra and in situ synchrotron‐based X‐ray diffraction patterns led to visualization of the inherent layered P2@P3 integrated spinel structure, charge compensation mechanism, structural evolution, and phase transition. This study provides an in‐depth understanding of the structure‐performance relationship in this structure and opens up a novel field based on manipulating structural evolution for the design of high‐performance battery cathodes.
Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H‐Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues
Authors: Stuyver Thijs , Ramanan Rajeev , Mallick Dibyendu , Shaik Sason 
Published: February 2020

AbstractThis contribution follows the recent remarkable catalysis observed by Groves et al. in hydrogen‐abstraction reactions by a) an oxoferryl porphyrin radical‐cation complex [Por⋅+FeIV(O)Lax] and b) a hydroxoiron porphyrazine ferric complex [PyPzFeIII(OH)Lax], both of which involve positively charged substituents on the outer circumference of the respective macrocyclic ligands. These charge‐coronated complexes are analogues of the biologically important Compound I (Cpd I) and synthetic hydroxoferric species, respectively. We demonstrate that the observed enhancement of the H‐abstraction catalysis for these systems is a purely electrostatic effect, elicited by the local charges embedded on the peripheries of the respective macrocyclic ligands. Our findings provide new insights into how electrostatics can be employed to tune the catalytic activity of metalloenzymes and can thus contribute to the future design of new and highly efficient hydrogen‐abstraction catalysts.
Synthesis of Small‐Molecule Fluorescent Probes for the In Vitro Imaging of Calcium‐Activated Potassium Channel KCa3.1
Authors: Brömmel Kathrin , Maskri Sarah , Maisuls Ivan , Konken Christian Paul , Rieke Marius , Pethő Zoltan , Strassert Cristian A. , Koch Oliver , Schwab Albrecht , Wünsch Bernhard 
Published: February 2020

AbstractSmall‐molecule probes for the in vitro imaging of KCa3.1 channel‐expressing cells were developed. Senicapoc, showing high affinity and selectivity for the KCa3.1 channels, was chosen as the targeting component. BODIPY dyes 15–20 were synthesized and connected by a CuI‐catalyzed azide–alkyne [3+2]cycloaddition with propargyl ether senicapoc derivative 8, yielding fluorescently labeled ligands 21–26. The dimethylpyrrole‐based imaging probes 25 and 26 allow staining of KCa3.1 channels in NSCLC cells. The specificity was shown by removing the punctate staining pattern by pre‐incubation with senicapoc. The density of KCa3.1 channels detected with 25 and by immunostaining was identical. The punctate structure of the labeled channels could also be observed in living cells. Molecular modeling showed binding of the senicapoc‐targeting component towards the binding site within the ion channel and orientation of the linker with the dye along the inner surface of the ion channel.
Reconstructing the history of ocean wildlife around Ascension Island
Authors: Burns Polly , Hawkins Julie , Roberts Callum 
Published: February 2020

Abstract

In 2016, the UK government announced plans for a large‐scale Marine Protected Area around Ascension Island, a UK Overseas Territory in the South Atlantic.
To improve baselines for marine life to support ambitious conservation and assess change over time, archives were searched for historical accounts of wildlife from Ascension's discovery in 1501 to the present. For more recent changes, 139 interviews with past and present inhabitants were conducted.
Ascension's marine life has, from first discovery to the present, been consistently remarked upon for its exceptional abundance. Historical sources indicate declines in seabird and turtle populations from human exploitation and introduction of rats and cats. They are recovering with good management, although still below pre‐settlement abundance.
Interviews with residents indicate more recent changes, notably declines in catch per unit of fishing effort at popular shore angling sites, a decline in yellowfin tuna (Thunnus albacares) and increase in Galapagos sharks (Carcharhinus galapagensis).
What is very notable, however, based on the interviews, was that there was no temporal signal suggestive of recent systemic decline, in marked contrast to many parts of the world where recent wildlife declines have been pervasive and steep. Ascension represents a remarkable and immensely important centre of abundance in a sea of depletion and change, warranting full protection for all the island's waters.
The congenital cataract‐causing mutations P20R and A171T are associated with important changes in the amyloidogenic feature, structure and chaperone‐like activity of human αB‐crystallin
Authors: Ghahramani Maryam , Yousefi Reza , Niazi Ali , Kurganov Boris 
Published: February 2020

AbstractCataract is the major reason for human blindness worldwide. α‐Crystallin, as a key chaperone of eye lenses, keeps the lenticular tissues in its transparent state over time. In this study, cataract‐causing familial mutations, P20R and A171T, were introduced in CRYАB gene. After successful expression in Escherichia coli and subsequent purification, the recombinant proteins were subjected to extensive structural and functional analyses using various spectroscopic techniques, gel electrophoresis, and electron microscopy. The results of fluorescence and Raman assessments suggest important but discreet conformational changes in human αB‐Cry upon these cataractogenic mutations. Furthermore, the mutant proteins exhibited significant secondary structural alteration as revealed by FTIR and Raman spectroscopy. An increase in conformational stability was seen in the human αB‐Cry bearing these congenital cataractogenic mutations. The oligomeric size distribution and chaperone‐like activity of human αB‐Cry were significantly altered by these mutations. The P20R mutant protein was observed to loose most of the chaperone‐like activity. Finally, these cataractogenic mutant proteins exhibited an increased propensity to form the amyloid fibrils when incubated under environmental stress. Overall, the structural and functional changes in mutated human αB‐Cry proteins can shed light on the pathogenic development of congenital cataracts.
The efficacy of modified jailed balloon technique for true bifurcation lesions
Authors: Shishido Koki , Moriyama Noriaki , Hayashi Takahiro , Yokota Shohei , Miyashita Hirokazu , Mashimo Yuka , Yokoyama Hiroaki , Nishimoto Takashi , Ochiai Tomoki , Tobita Kazuki , Yamanaka Futoshi , Mizuno Shingo , Tanaka Yutaka , Murakami Masato , Takahashi Saeko , Saito Shigeru 
Published: February 2020

AbstractObjectiveTo evaluate the short‐, long‐term clinical and angiographic outcomes after treatment of true bifurcation lesions using a modified jailed balloon technique (MJBT).BackgroundPercutaneous coronary intervention (PCI) for true bifurcation lesions has high risk for adverse events. Side branch (SB) occlusion is one of the most serious complications. Therefore, novel strategies to avoid SB occlusion during main branch stenting and to keep its patency are important.Methods and ResultsBetween February 2015 and February 2018, 328 patients with 349 true bifurcation lesions underwent PCI using MJBT. True bifurcation lesions were defined as Medina classifications (1.1.1), (1.0.1) or (0.1.1) lesions. We investigated the procedural and long‐term clinical outcomes. Furthermore, angiographic outcomes were assessed at follow‐up diagnostic angiography.The mean age of patients was 71.6 ± 9.9 years. Procedural success was achieved in all patients; postoperative SB occlusion was noted in only one patient (0.3%). The cumulative incidence of all‐cause death was 23 patients (7.0%) in the follow‐up period (median 717 days). Target lesion revascularization was performed in 19 patients (5.8%) with 23 lesions (6.6%), and 0.6% of myocardial infarction and 0% of definite stent thrombosis were observed. Angiographic follow‐up was performed in 243 patients (74.1%); the percent diameter stenosis in SB was not significantly different between after the index procedure and follow‐up angiography.ConclusionsThis MJBT is safe and effective in preserving SB patency for true bifurcation lesions. Furthermore, long‐term clinical and angiographic outcomes after MJBT are feasible.
Survival benefit of revascularization versus optimal medical therapy alone for chronic total occlusion management in patients with diabetes
Authors: Flores‐Umanzor Eduardo J. , Cepas‐Guillen Pedro L. , Vázquez Sara , Fernandez‐Valledor Andrea , Ivey‐Miranda Juan , Izquierdo Marc , Caldentey Guillem , Jimenez‐Britez Gustavo , Regueiro Ander , Freixa Xavier , Farrero Marta , Ferreira‐González Ignacio , Martin‐Yuste Victoria , Sabaté Manel 
Published: February 2020

AbstractBackgroundChronic total occlusion (CTO) is common in patients with diabetes mellitus. Data on the long‐term outcomes after treatment of CTOs in this high‐risk population are scarce.AimTo compare the long‐term clinical outcomes of CTO revascularization either by coronary artery bypass graft (CABG) or successful percutaneous coronary intervention (PCI) versus optimal medical treatment (MT) alone in patients with diabetes.Methods and ResultsA total of 538 consecutive patients with diabetes and at least one CTO were identified from 2010 to 2014 in our center. In the present analysis, patients were stratified according to the CTO treatment strategy that was selected. MT was selected in 61% of patients whereas revascularization in the remaining 39%. Patients undergoing revascularization were younger, had higher left ventricular ejection fraction (LVEF), lower ACEF score, and more positive myocardial ischemia detection results compared to the MT group (p < .001).Patients referred for CABG had higher rates of left main disease compared to the PCI and MT groups (32% vs. 3% and 11%, respectively; p < .001). Complete revascularization was more often achieved in the CABG group, compared to the PCI group (62% vs. 32% p < .001). Multivariable analysis showed that revascularization with CABG was associated with lower rates of all‐cause and cardiac mortality rates compared to MT, [hazard ratio (HR) 0.41, 95% confidence interval (CI) 0.25–0.70, p < .001 and HR 0.40, 95% CI 0.20–81, p = .011, respectively]. Successful CTO‐PCI showed a trend towards benefit in all‐cause mortality (HR 0.58, 95% CI 0.33–1.04, p = .06).ConclusionIn our registry, CTO revascularization in diabetic patients, especially with CABG, was associated with lower long‐term mortality rates as compared to MT alone.
Early clinical experience with the straight design of Venus P‐valve™ in dysfunctional right ventricular outflow tracts
Authors: Morgan Gareth J. , Sivakumar Kothandam , Promphan Worakan , Goreczny Sebastian , Prachasilchai Pimpak , Qureshi Shakeel 
Published: February 2020

AbstractObjectivesTo assess the initial procedural and short to medium‐term experience with the straight design of the Venus P‐valve™ (Venus MedTech, Hangzhou, China) in dysfunctional right ventricular outflow tracts (RVOT).BackgroundThe Melody™ valve (Medtronic, Minneapolis, Minnesota) has been the only percutaneous valve option for smaller RVOT conduits. The straight Venus P‐valve™ may provide an alternative to the Melody™ valve.MethodsRetrospective data collection of patient characteristics, procedural data, clinical and imaging follow‐up of the straight Venus P‐valve™.ResultsNine patients (four female) with a mean age of 23.1 ± 7.5 years and a mean weight of 72.7 ± 29.4 kg underwent straight Venus P‐valve™ implantation between 03/2014 and 06/2016. All patients had right ventricle‐to‐pulmonary artery conduits which were pre‐stented before the valve implantation. All valves were deployed successfully without any significant procedural complications. During the mean follow‐up of 24 ± 9.1 months, there were no valve related re‐interventions or deterioration in valve performance. There was one case of insignificant, single wire frame fracture and no cases of endocarditis. The cohort demonstrated a reduction in pulmonary regurgitation and tricuspid regurgitation, which was sustained throughout the follow‐up. Similarly the gradient across the RVOT tract did not significantly increase.ConclusionsImplantation of the straight Venus P‐valve™ has provided satisfactory short to mid‐term results with high success rates and no complications and may be considered as an alternative option in patients with RVOT dysfunction.
Adsorption Properties of Activated Tire Pyrolysis Chars for Phenol and Chlorophenols
Authors: Kuśmierek Krzysztof , Świątkowski Andrzej , Kotkowski Tomasz , Cherbański Robert , Molga Eugeniusz 
Published: February 2020

AbstractThe adsorption of phenol (Ph), 4‐chlorophenol (4CP), and 2,4‐dichlorophenol (DCP) from aqueous solutions on activated tire pyrolysis chars (ATPCs) was studied in a batch system, including both kinetics and equilibrium. Different kinetic models and adsorption isotherms were used to describe the adsorption behavior of the phenols. The kinetic study shows that the process can be described by a pseudo‐second‐order model. The best fitting results for the equilibrium adsorption data were obtained with the Sips isotherm. Adsorption of the selected phenols on all of the adsorbents increased in the order Ph < 4CP < DCP. The effect of ionic strength and pH on the adsorption was also studied. The results show that the ATPCs could be used as adsorbents for the removal of phenols from aqueous solutions.
Barium‐Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight
Authors: Le Coz Erwann , Zhang Ziyun , Roisnel Thierry , Cavallo Luigi , Falivene Laura , Carpentier Jean‐François , Sarazin Yann 
Published: February 2020

AbstractInvited for the cover of this issue are the groups of Yann Sarazin at the University of Rennes and Laura Falivene at the King Abdullah University of Science and Technology. The image depicts two barium figures working in tandem to mimic the dinuclear nature of the active species in the catalytic cycle described in the manuscript. Read the full text of the article at 10.1002/chem.201904933.
Exchange‐Biasing in a Dinuclear Dysprosium(III) Single‐Molecule Magnet with a Large Energy Barrier for Magnetisation Reversal
Authors: Han Tian , Giansiracusa Marcus J. , Li Zi‐Han , Ding You‐Song , Chilton Nicholas F. , Winpenny Richard E. P. , Zheng Yan‐Zhen 
Published: February 2020

AbstractA dichlorido‐bridged dinuclear dysprosium(III) single‐molecule magnet [Dy2L2(μ‐Cl)2(thf)2] has been made by using a diamine‐bis(phenolate) ligand, H2L. Magnetic studies show an energy barrier for magnetisation reversal (Ueff) around 1000 K. An exchange‐biasing effect is clearly seen in magnetic hysteresis with steps up to 3 K. Ab initio calculations exclude the possibility of a pure dipolar origin of this effect leading to the conclusion that super‐exchange through the chloride bridging ligands is important.
Sn‐Based Alloys Synthesized in an Ionic Liquid at Room Temperature: Cu6Sn5 as a Case Study
Authors: Soulmi Nadia , Porras Gutierrez Ana Gabriela , Rizzi Cécile , Sirieix‐Plénet Juliette , Gaillon Laurent , Groult Henri , Rollet Anne‐Laure , Umut Evrim , Kruk Danuta , Duttine Mathieu , Borkiewicz Olaf. J. , Lebedev Oleg I. , Dambournet Damien 
Published: February 2020

AbstractSn‐based alloys are increasingly investigated owing to possible electronic/structural modulations of interest for electrocatalysis and energy storage applications. Here, we report on the use of a chemical system consisting of an ionic liquid (1‐ethyl‐3‐ methylimidazolium bis(trifluoromethanesulfonyl)imide: [EMIm+][TFSI−]) and Sn‐based precursor Sn(TFSI)2 both featuring similar anionic groups. This strategy increases the solubility of the cationic precursor in the IL and avoids the formation of side‐products during the precipitation of Sn‐nanoparticles formed upon reaction with a reducing agent (NaBH4). Using NMR relaxometry, we further established that these nanoparticles are stabilized by specific interactions with the cationic group of the IL. Targeting the composition Cu6Sn5, we further demonstrated that this approach can be used to prepare Sn‐based alloys which could not be prepared using conventional chloride‐based precursors.
Directing On‐Surface Reaction Pathways via Metal‐Organic Cu−N Coordination
Authors: Liang Huifang , Xing Shuaipeng , Shi Ziliang , Zhang Haiming , Chi Lifeng 
Published: February 2020

AbstractWe demonstrate an enhancement of cyclization against polymerization for the on‐surface debrominative coupling reaction, by using the metal‐organic Cu−N coordination template to direct the reaction pathways. Experiments performed by using ultrahigh‐vacuum scanning tunneling microscopy (UHV‐STM), with the substitution of metal‐coordination centers, metallic substrates and functional organic ligands, corroborate the template effect of the Cu−N coordination.
Voronoi‐Based Similarity Distances between Arbitrary Crystal Lattices
Authors: Mosca Marco M. , Kurlin Vitaliy 
Published: February 2020

AbstractThis paper develops a new continuous approach to a similarity between periodic lattices of ideal crystals. Quantifying a similarity between crystal structures is needed to substantially speed up the crystal structure prediction, because the prediction of many target properties of crystal structures is computationally slow and is essentially repeated for many nearly identical simulated structures. The proposed distances between arbitrary periodic lattices of crystal structures are invariant under all rigid motions, satisfy the metric axioms and continuity under atomic perturbations. The above properties make these distances ideal tools for clustering and visualizing large datasets of crystal structures. All the conclusions are rigorously proved and justified by experiments on real and simulated crystal structures.
Associations between first true leaf physiology and seedling vigor in cotton under different field conditions
Authors: Virk Gurpreet , Snider John L. , Pilon Cristiane 
Published: February 2020

AbstractRapid development of the first true leaf has been suggested as a key driver of seedling vigor in cotton, yet studies demonstrating an association between first true leaf physiological processes and early season cotton growth are limited. It was hypothesized that both first true leaf area (FTLA) and photosynthetic rates would be positively associated with cotton (Gossypium hirsutumandG. barbadense) seedling vigor, and that photosynthetic component processes would differ in their contribution to net photosynthesis (An) of the first true leaf. To test these hypotheses, three different cotton cultivars were planted in the 2017 and 2018 seasons on three selected dates each year to generate broad differences in seedling vigor. Growth analysis was conducted to assess seedling vigor at 3 and 5 wk after planting, and a combination of dark‐ and light‐adapted gas exchange and fluorescence measurements were performed on the first true leaf, concurrent with growth assessments. Seedling vigor was much more strongly associated with FTLA than Anon a per unit leaf area basis, suggesting that FTLA was a stronger indicator of seedling vigor. Correlation analysis between Anand a number of component processes derived from combined gas exchange and fluorescence measurements indicated that Anwas strongly correlated with electron transport rates and stomatal conductance. However, we suggest that most of the variability we observed in Anof the first true leaf was primarily driven by nonstomatal factors, since no significant correlations between Anand chloroplast CO2concentration or substomatal CO2concentration was apparent.
A second‐generation voltage conveyor (VCII)–based simulated grounded inductor
Authors: Safari Leila , Yuce Erkan , Minaei Shahram , Ferri Giuseppe , Stornelli Vincenzo 
Published: February 2020

SummaryIn this paper, an implementation of a simulated grounded inductor (SGI) based on a recently developed active building block called second‐generation voltage conveyor (VCII) is proposed. The proposed SGI employs two VCIIs, two resistors, and one grounded capacitor, which is preferred when integration is involved. More importantly, unlike most of the other previously reported SGIs, this one is free from any restrictive matching conditions. A complete analysis of nonidealities along with sensitivity treatment by considering parasitic impedances and nonideal gains of the VCII are performed. A simple VCII circuit is designed to be used in the implementation of the proposed SGI. To support the presented theory, Pspice simulation results using 0.18‐μm CMOS technology parameters and supply voltage of ±0.9 V are provided. On the basis of the achieved results, the proposed SGI operates in a good agreement with an ideal inductor. The power consumption is only 0.65 mW, and the parasitic series impedance is approximately 191.9 Ω. The applicability of the proposed SGI is tested by using it in a standard second‐order high‐pass RLC filter.