bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boronic Acid Functionalized Photosensitizers: A Strategy To Target the Surface of Bacteria and Implement Active Agents in Polymer Coatings
Authors: Galstyan Anzhela , Schiller Roswitha , Dobrindt Ulrich 
Published: July 2017

AbstractAdvanced methods for preventing and controlling hospital‐acquired infections via eradication of free‐floating bacteria and bacterial biofilms are of great interest. In this regard, the attractiveness of unconventional treatment modalities such as antimicrobial photodynamic therapy (aPDT) continues to grow. This study investigated a new and innovative strategy for targeting polysaccharides found on the bacterial cell envelope and the biofilm matrix using the boronic acid functionalized and highly effective photosensitizer (PS) silicon(IV) phthalocyanine. This strategy has been found to be successful in treating planktonic cultures and biofilms of Gram‐negative E. coli. An additional advantage of boronic acid functionality is a possibility to anchor the tailor made PS to poly(vinyl alcohol) and to fabricate a self‐disinfecting coating.
Colloidal Rings by Site‐Selective Growth on Patchy Colloidal Disc Templates
Authors: Wu Yuanyuan , Luo Zhang , Liu Bing , Yang Zhenzhong 
Published: July 2017

AbstractAnisotropic colloidal building blocks are quite attractive as they enable the self‐assembly towards new materials with designated hierarchical structures. Although many advances have been achieved in colloidal synthetic methodology, synthesis of colloidal rings with low polydispersity and on a large scale remains a challenge. To address this issue we introduce a new site‐selective growth strategy, which relies on using patchy particles. For example, by using patchy discs as templates, silica can selectively be grown on only side surfaces, resulting in formation of silica rings. We demonstrate that shape parameters are tunable and find that these silica rings can be used as secondary template to synthesize other types of rings. This method for synthesizing ring‐like colloids provides possibilities for studying their self‐assembly and associated phase transitions, and this patchy particles template strategy paves a new route for fabricating other new colloidal particles.
Constructing High‐Generation Sierpiński Triangles by Molecular Puzzling
Authors: Jiang Zhilong , Li Yiming , Wang Ming , Liu Die , Yuan Jie , Chen Mingzhao , Wang Jun , Newkome George R. , Sun Wei , Li Xiaopeng , Wang Pingshan 
Published: July 2017

AbstractThree generations of metalated trigonal supramolecular architectures, so‐called metallo‐triangles, were assembled from terpyridine (tpy) complexes. The first generation (G1) metallo‐triangles were directly obtained by reacting a bis(terpyridinyl) ligand with a 60° bite angle and ZnII ions. The direct self‐assembly of G2 and G3 triangles by mixing organic ligands and ZnII, however, only generated a mixture of G1 and G2, as well as a trace amount of insoluble polymer‐like precipitate. Therefore, a modular strategy based on the connectivity of ⟨tpy−Ru2+−tpy⟩ was employed to construct two metallo‐organic ligands for the assembly of G2 and G3 Sierpiński triangles. The metallo‐organic ligands LA and LB with multiple free terpyridines were obtained through Suzuki cross‐coupling of the RuII complexes, and then assembled with ZnII or CdII to obtain high‐generation metallo‐triangular architectures in nearly quantitative yield. The G1–G3 architectures were characterized by NOESY and DOSY NMR spectroscopy, ESI‐MS, TWIM‐MS, and transmission electron microscopy.
Synthesis of WOn‐WX2 (n=2.7, 2.9; X=S, Se) Heterostructures for Highly Efficient Green Quantum Dot Light‐Emitting Diodes
Authors: Han Shikui , Yang Xuyong , Zhu Yihan , Tan Chaoliang , Zhang Xiao , Chen Junze , Huang Ying , Chen Bo , Luo Zhimin , Ma Qinglang , Sindoro Melinda , Zhang Hao , Qi Xiaoying , Li Hai , Huang Xiao , Huang Wei , Sun Xiao Wei , Han Yu , Zhang Hua 
Published: July 2017

AbstractPreparation of two‐dimensional (2D) heterostructures is important not only fundamentally, but also technologically for applications in electronics and optoelectronics. Herein, we report a facile colloidal method for the synthesis of WOn‐WX2 (n=2.7, 2.9; X=S, Se) heterostructures by sulfurization or selenization of WOn nanomaterials. The WOn‐WX2 heterostructures are composed of WO2.9 nanoparticles (NPs) or WO2.7 nanowires (NWs) grown together with single‐ or few‐layer WX2 nanosheets (NSs). As a proof‐of‐concept application, the WOn‐WX2 heterostructures are used as the anode interfacial buffer layer for green quantum dot light‐emitting diodes (QLEDs). The QLED prepared with WO2.9 NP‐WSe2 NS heterostructures achieves external quantum efficiency (EQE) of 8.53 %. To our knowledge, this is the highest efficiency in the reported green QLEDs using inorganic materials as the hole injection layer.
Highly Oriented Growth of Catalytically Active Zeolite ZSM‐5 Films with a Broad Range of Si/Al Ratios
Authors: Fu Donglong , Schmidt Joel E. , Ristanović Zoran , Chowdhury Abhishek Dutta , Meirer Florian , Weckhuysen Bert M. 
Published: July 2017

AbstractHighlyb‐oriented zeolite ZSM‐5 films are critical for applications in catalysis and separations and may serve as models to study diffusion and catalytic properties in single zeolite channels. However, the introduction of catalytically active Al3+usually disrupts the orientation of zeolite films. Herein, using structure‐directing agents with hydroxy groups, we demonstrate a new method to prepare highlyb‐oriented zeolite ZSM‐5 films with a broad range of Si/Al ratios (Si/Al=45 to ∞). Fluorescence micro‐(spectro)scopy was used to monitor misoriented microstructures, which are invisible to X‐ray diffraction, and show Al3+framework incorporation and illustrate the differences between misoriented andb‐oriented films. The methanol‐to‐hydrocarbons process was studied byoperandoUV/Vis diffuse reflectance micro‐spectroscopy with on‐line mass spectrometry, showing that theb‐oriented zeolite ZSM‐5 films are active and stable under realistic process conditions.
Towards a Comprehensive Understanding of the Reaction Mechanisms Between Defective MoS2 and Thiol Molecules
Authors: Li Qiang , Zhao Yinghe , Ling Chongyi , Yuan Shijun , Chen Qian , Wang Jinlan 
Published: July 2017

AbstractSulfur vacancies (SVs) inherent in MoS2 are generally detrimental for carrier mobility and optical properties. Thiol chemistry has been explored for SV repair and surface functionalization. However, the resultant products and reaction mechanisms are still controversial. Herein, a comprehensive understanding on the reactions is provided by tracking potential energy surfaces and kinetic studies. The reactions are dominated by two competitive mechanisms that lead to either functionalization products or repair SVs, and the polarization effect from decorating thiol molecules and thermal effect are two determining factors. Electron‐donating groups are conducive to the repairing reaction whereas electron‐withdrawing groups facilitate the functionalization process. Moreover, the predominant reaction mechanism can be switched by increasing the temperature. This study fosters a way of precisely tailoring the electronic and optical properties of MoS2 by means of thiol chemistry approaches.
Meta‐analysis of first‐line therapies with maintenance regimens for advanced non‐small‐cell lung cancer (NSCLC) in molecularly and clinically selected populations
Authors: Tan Pui San , Bilger Marcel , de Lima Lopes Gilberto , Acharyya Sanchalika , Haaland Benjamin 
Published: July 2017

AbstractEvidence has suggested survival benefits of maintenance for advanced NSCLC patients not progressing after first‐line chemotherapy. Additionally, particular first‐line targeted therapies have shown survival improvements in selected populations. Optimal first‐line and maintenance therapies remain unclear. Here, currently available evidence was synthesized to elucidate optimal first‐line and maintenance therapy within patient groups. Literature was searched for randomized trials evaluating first‐line and maintenance regimens in advanced NSCLC patients. Bayesian network meta‐analysis was performed within molecularly and clinically selected groups. The primary outcome was combined clinically meaningful OS and PFS benefits. A total of 87 records on 56 trials evaluating first‐line treatments with maintenance were included. Results showed combined clinically meaningful OS and PFS benefits with particular first‐line with maintenance treatments, (1) first‐line intercalated chemotherapy+erlotinib, maintenance erlotinib in patients with EGFR mutations, (2) first‐line afatinib, maintenance afatinib in patients with EGFR deletion 19, (3) first‐line chemotherapy + bevacizumab, maintenance bevacizumab in EGFR wild‐type patients, (4) chemotherapy+conatumumab, maintenance conatumumab in patients with squamous histology, (5) chemotherapy+cetuximab, maintenance cetuximab or chemotherapy + necitumumab, maintenance necitumumab in EGFR FISH‐positive patients with squamous histology, and (6) first‐line chemotherapy+bevacizumab, maintenance bevacizumab or first‐line sequential chemotherapy+gefitinib, maintenance gefitinib in patients clinically enriched for EGFR mutations with nonsquamous histology. No treatment showed combined clinically meaningful OS and PFS benefits in patients with EGFR L858R or nonsquamous histology. Particular first‐line with maintenance treatments show meaningful OS and PFS benefits in patients selected by EGFR mutation or histology. Further research is needed to achieve effective therapy for patients with EGFR mutation L858R or nonsquamous histology.
Nitrene Radical Intermediates in Catalytic Synthesis
Authors: Kuijpers Petrus F. , van der Vlugt Jarl Ivar , Schneider Sven , de Bruin Bas 
Published: July 2017

AbstractNitrene radical complexes are reactive intermediates with discrete spin density at the nitrogen‐atom of the nitrene moiety. These species have become important intermediates for organic synthesis, being invoked in a broad range of C−H functionalization and aziridination reactions. Nitrene radical complexes have intriguing electronic structures, and are best described as one‐electron reduced Fischer type nitrenes. They can be generated by intramolecular single electron transfer to the “redox non‐innocent” nitrene moiety at the metal. Nitrene radicals generated at open‐shell cobalt(II) have thus far received most attention in terms of spectroscopic characterization, reactivity screening, catalytic nitrene‐transfer reactions and (computational and experimental) mechanistic studies, but some interesting iron and precious metal catalysts have also been employed in related reactions involving nitrene radicals. In some cases, redox‐active ligands are used to facilitate intramolecular single electron transfer from the complex to the nitrene moiety. Organic azides are among the most attractive nitrene precursors in this field, typically requiring pre‐activated organic azides (e.g. RSO2N3, (RO)2P(=O)N3, ROC(=O)N3 and alike) to achieve efficient and selective catalysis. Challenging, non‐activated aliphatic organic azides were recently added to the palette of reagents useful in synthetically relevant reactions proceeding via nitrene radical intermediates. This concept article describes the electronic structure of nitrene radical complexes, emphasizes on their usefulness in the catalytic synthesis of various organic products, and highlights the important developments in the field.
Visible‐Light‐Mediated Excited State Relaxation in Semi‐Synthetic Genetic Alphabet: d5SICS and dNaM
Authors: Bhattacharyya Kalishankar , Datta Ayan 
Published: July 2017

AbstractThe excited state dynamics of an unnatural base pair (UBP) d5SICS/dNaM were investigated by accurate ab‐initio calculations. Time‐dependent density functional and high‐level multireference calculations (MS‐CASPT2) were performed to elucidate the excitation of this UBP and its excited state relaxation mechanism. After excitation to the bright state S2 (ππ*), it decays to the S1 state and then undergoes efficient intersystem crossing to the triplet manifold. The presence of sulfur atom in d5SICS leads to strong spin–orbit coupling (SOC) and a small energy gap that facilitates intersystem crossing from S1 (nsπ*) to T2 (ππ*) followed by internal conversion to T1 state. Similarly in dNaM, the deactivation pathway follows analogous trends. CASPT2 calculations suggest that the S1 (ππ*) state is a dark state below the accessible S2 (ππ*) bright state. During the ultrafast deactivation, it exhibits bond length inversion. From S1 state, significant SOC leads the population transfer to T3 due to a smaller energy gap. Henceforth, fast internal conversion occurs from T3 to T2 followed by T1. From time‐dependent trajectory surface hopping dynamics, it is found that excited state relaxation occurs on a sub‐picosecond timescale in d5SICS and dNaM. Our findings strongly suggest that there is enough energy available in triplet state of UBP to generate reactive oxygen species and induce phototoxicity with respect to cellular DNA.
Convenient Access to meta‐Substituted Phenols by Palladium‐Catalyzed Suzuki–Miyaura Cross‐Coupling and Oxidation
Authors: Wang Zi , Orellana Arturo 
Published: July 2017

AbstractWe report a new approach to the synthesis of meta‐substituted phenols in which a single palladium catalyst accomplishes a Suzuki–Miyaura cross‐coupling between a β‐chlorocyclohexenone and an arylboronic acid, and oxidation of the resulting cyclohexenone to the corresponding phenol upon introduction of a terminal oxidant and electron transfer mediator. Notably, this method also allows ready access to ortho, meta‐disubstituted phenols, sterically congested biaryl phenols, and more highly substituted phenols.
Nature of Bonding in Donor–Acceptor Interactions Exemplified by Complexes of N‐Heterocyclic Carbenes with 1,2,5‐Telluradiazoles
Authors: Pushkarevsky Nikolay A. , Petrov Pavel A. , Grigoriev Denis S. , Smolentsev Anton I. , Lee Lucia M. , Kleemiss Florian , Salnikov Georgy E. , Konchenko Sergey N. , Vargas‐Baca Ignacio , Grabowsky Simon , Beckmann Jens , Zibarev Andrey V. 
Published: July 2017

AbstractComprehensive structural, spectroscopic, and quantum chemical analyses of new donor–acceptor complexes between N‐heterocyclic carbenes and 1,2,5‐telluradiazoles and a comparison with previously known complexes involving tellurenyl cations showed that the dative C−Te bonds cannot be solitarily described with only one Lewis formula. Canonical Lewis formulas that denote covalency and arrows emphasizing ionicity complement each other in varying extents. Evaluation of the relative weights of these resonance forms requires proper bonding description with a well‐balanced toolbox of analytical methods. If for conciseness only, one resonance form is used, it must be the most significant one according to the analytical evaluation. If unclear, all significant resonance forms should be displayed.
The Impact of Investments in Pollution Reduction on Shareholder Wealth: Evidence from Taiwanese Manufacturing Companies
Authors: Chiu She‐Chih , Lin Hsuan‐Chu , Wang Chuan‐San 
Published: July 2017

AbstractThis paper investigates the economic benefit of corporate pollution reduction expenditures and the value relevance of the Global Reporting Initiative (GRI) report. It utilizes a unique dataset of pollution reduction expenditures disclosed by Taiwanese manufacturing companies in their GRI reports. Economic profit is measured with Economic Value Added and Tobin's Q. The value relevance is measured with three benchmarks: stock returns, cash flows, and stock prices. The Generalized Method of Moments is adopted to control for potential endogeneity. This paper finds a positive relation between pollution reduction expenditure and corporate economic benefits, which suggests that managerial decisions aimed at pollution reduction are consistent with the interests of shareholders and of stakeholders. In addition, this paper finds that the G3.1 guideline provides relevant information in regard to firm value, while it plays merely a partial role in investors' investment decisions. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
The microbiota revolution: Excitement and caution
Authors: Rescigno Maria 
Published: July 2017

AbstractScientific progress is characterized by important technological advances. Next‐generation DNA sequencing has, in the past few years, led to a major scientific revolution: the microbiome revolution. It has become possible to generate a fingerprint of the whole microbiota of any given environment. As it becomes clear that the microbiota affects several aspects of our lives, each new scientific finding should ideally be analyzed in light of these communities. For instance, animal experimentation should consider animal sources and husbandry; human experimentation should include analysis of microenvironmental cues that might affect the microbiota, including diet, antibiotic, and drug use, genetics. When analyzing the activity of a drug, we should remember that, according to the microbiota of the host, different drug activities might be observed, either due to modification or degradation by the microbiota, or because the microbiota changes the immune system of the host in a way that makes that drug more or less effective. This minireview will not be a comprehensive review on the interaction between the host and microbiota, but it will aim at creating awareness on why we should not forget the contribution of the microbiota in any single aspect of biology.
Are belief‐based justifications associated with metalinguistic awareness? A cross‐sectional study in school‐age children
Authors: Spataro Pietro , Rossi‐Arnaud Clelia , Longobardi Emiddia 
Published: July 2017

AbstractPrevious research has consistently demonstrated that false‐belief (FB) understanding correlates with and predicts metalinguistic ability in preschoolers. Surprisingly, however, there is scant evidence on the question of whether this relation persists at later ages. The present cross‐sectional study sought to fill this gap by examining the association between FB understanding, belief‐based justifications and metalinguistic awareness. A sample of 150 children primary‐school children between 8 and 11 years of age were administered a test of receptive language, a second‐order theory‐of‐mind task and a comprehensive metalinguistic battery. The results of correlational and regression analyses showed that explicit metalinguistic awareness (in particular, performance in the Ambiguity and Phonemic Segmentation subtests) was significantly predicted by children's belief‐based responses to the justification question in the theory of mind task but only for children with small receptive vocabularies; in contrast, FB understanding made no independent contribution (either alone or in interaction with other measures). These findings complement and advance existing data by showing that, in school‐age children, the association between the 2 domains involves more mature, verbally explicit levels of FB understanding and metalinguistic awareness.Highlights

We examined the relation between metalinguistic awareness and theory‐of‐mind in primary‐school children.
Metalinguistic awareness was associated to belief‐based justifications, but only for children with small vocabulary.
In school‐age children the ability to provide verbal justifications plays a key role in the relation between theory‐of‐mind and metalinguistic awareness.
Shock progression and survival after use of a condom uterine balloon tamponade package in women with uncontrolled postpartum hemorrhage
Authors: Burke Thomas F. , Danso‐Bamfo Sandra , Guha Moytrayee , Oguttu Monica , Tarimo Vincent , Nelson Brett D. 
Published: July 2017

AbstractObjectiveTo examine the outcomes of women in advanced shock from uncontrolled postpartum hemorrhage (PPH) who underwent placement of an Every Second Matters for Mothers and Babies Uterine Balloon Tamponade (ESM‐UBT) device.MethodsIn a prospective case series, data were collected for women who received an ESM‐UBT device at healthcare facilities in Kenya, Senegal, Sierra Leone, and Tanzania between September 1, 2012, and September 30, 2016. Shock class was assigned on the basis of recorded blood pressures and mental status at the time of UBT placement.ResultsData for 306 women with uncontrolled PPH from uterine atony across 117 facilities were analyzed. Normal vital signs or class I/II shock were reported for 166 (54.2%). In this group, one death occurred and was attributed to PPH (survival rate 99.4%). There were no cases of shock progression. One hundred and eleven (36.3%) were in class III shock and 29 (9.5%) in class IV shock; the respective survival rates were 97.3% (n=108) and 86.2% (n=25).ConclusionThe ESM‐UBT device arrests hemorrhage, prevents shock progression, and is associated with high survival rates among women with uncontrolled PPH from uterine atony.
Proteasomal activity‐based probes mark protein homeostasis in muscles
Authors: Raz Vered , Raz Yotam , Paniagua‐Soriano Guillem , Roorda Jacomina Cornelia , Olie Cyriel , Riaz Muhammad , Florea Bogdan I. 
Published: July 2017

AbstractBackgroundProtein homeostasis, primarily regulated by the ubiquitin–proteasome system is crucial for proper function of cells. In tissues of post‐mitotic cells, the impaired ubiquitin–proteasome system is found in a wide range of neuromuscular disorders. Activity‐based probes (ABPs) measure proteasomal proteolytic subunits and can be used to report protein homeostasis. Despite the crucial role of the proteasome in neuromuscular pathologies, ABPs were not employed in muscle cells and tissues, and measurement of proteasomal activity was carried out in vitro using low‐throughput procedures.MethodsWe screened six ABPs for specific application in muscle cell culture using high throughput call‐based imaging procedures. We then determined an in situ proteasomal activity in myofibers of muscle cryosections.ResultsWe demonstrate that LWA300, a pan‐reactive proteasomal probe, is most suitable to report proteasomal activity in muscle cells using cell‐based bio‐imaging. We found that proteasomal activity is two‐fold and three‐fold enhanced in fused muscle cell culture compared with non‐fused cells. Moreover, we found that proteasomal activity can discriminate between muscles. Across muscles, a relative higher proteasomal activity was found in hybrid myofibers whereas fast‐twitch myofibers displayed lower activity.ConclusionsOur study demonstrates that proteasomal activity differ between muscles and between myofiber types. We suggest that ABPs can be used to report disease progression and treatment efficacy.