bluuebunny/crossref_metadata_2025 huggingface dataset:
Morphology Transition Engineering of ZnO Nanorods to Nanoplatelets Grafted Mo8O23-MoO2 by Polyoxometalates: Mechanism and Possible Applicability to other Oxides
Authors: Abdelmohsen Ahmed H. , Rouby Waleed M. A. El , Ismail Nahla , Farghali Ahmed A.
Published: July 2017

A new fundamental mechanism for reliable engineering of zinc oxide (ZnO) nanorods to nanoplatelets grafted Mo8O23-MoO2mixed oxide with controlled morphology, composition and precise understanding of the nanoscale reaction mechanism was developed. These hybrid nanomaterials are gaining interest due to their potential use for energy, catalysis, biomedical and other applications. As an introductory section, we demonstrate a new expansion for the concept ‘materials engineering’ by discussing the fabrication of metal oxides nanostructures by bottom-up approach and carbon nanoparticles by top-down approach. Moreover, we propose a detailed mechanism for the novel phenomenon that was experienced by ZnO nanorods when treated with phosphomolybdic acid (PMA) under ultra-sonication stimulus. This approach is expected to be the basis of a competitive fabrication approach to 2D hybrid nanostructures. We will also discuss a proposed mechanism for the catalytic deposition of Mo8O23-MoO2mixed oxide over ZnO nanoplatelets. A series of selection rules (SRs) which applied to ZnO to experience morphology transition and constitute theory for morphology transition engineering (TMTE) will be demonstrated through the article, besides a brief discussion about possibility of other oxides to obey this theory.
Enhanced differential expression statistics for data-independent acquisition proteomics
Authors: Suomi Tomi , Elo Laura L.
Published: July 2017

We describe a new reproducibility-optimization method ROPECA for statistical analysis of proteomics data with a specific focus on the emerging data-independent acquisition (DIA) mass spectrometry technology. ROPECA optimizes the reproducibility of statistical testing on peptide-level and aggregates the peptide-level changes to determine differential protein-level expression. Using a ‘gold standard’ spike-in data and a hybrid proteome benchmark data we show the competitive performance of ROPECA over conventional protein-based analysis as well as state-of-the-art peptide-based tools especially in DIA data with consistent peptide measurements. Furthermore, we also demonstrate the improved accuracy of our method in clinical studies using proteomics data from a longitudinal human twin study.
Prediction of size-resolved number concentration of cloud condensation nuclei and long-term measurements of their activation characteristics
Authors: Che H. C. , Zhang X. Y. , Zhang L. , Wang Y. Q. , Zhang Y. M. , Shen X. J. , Ma Q. L. , Sun J. Y. , Zhong J. T.
Published: July 2017

Atmospheric aerosol particles acting as cloud condensation nuclei (CCN) are key elements in the hydrological cycle and climate. To improve our understanding of the activation characteristics of CCN and to obtain accurate predictions of their concentrations, a long-term field campaign was carried out in the Yangtze River Delta, China. The results indicated that the CCN were easier to activate in this relatively polluted rural station than in clean (e.g., the Amazon region) or dusty (e.g., Kanpur-spring) locations, but were harder to activate than in more polluted urban areas (e.g., Beijing). An improved method, using two additional parameters—the maximum activation fraction and the degree of heterogeneity, is proposed to predict the accurate, size-resolved concentration of CCN. The value ranges and prediction uncertainties of these parameters were evaluated. The CCN predicted using this improved method with size-resolved chemical compositions under an assumption that all particles were internally mixed showed the best agreement with the long-term field measurements.
Co-expression network analysis of toxin-antitoxin loci in Mycobacterium tuberculosis reveals key modulators of cellular stress
Authors: Gupta Amita , Venkataraman Balaji , Vasudevan Madavan , Gopinath Bankar Kiran
Published: July 2017

Research on toxin-antitoxin loci (TA loci) is gaining impetus due to their ubiquitous presence in bacterial genomes and their observed roles in stress survival, persistence and drug tolerance. The present study investigates the expression profile of all the seventy-nine TA loci found in Mycobacterium tuberculosis. The bacterium was subjected to multiple stress conditions to identify key players of cellular stress response and elucidate a TA-coexpression network. This study provides direct experimental evidence for transcriptional activation of each of the seventy-nine TA loci following mycobacterial exposure to growth-limiting environments clearly establishing TA loci as stress-responsive modules in M. tuberculosis. TA locus activation was found to be stress-specific with multiple loci activated in a duration-based response to a particular stress. Conditions resulting in arrest of cellular translation led to greater up-regulation of TA genes suggesting that TA loci have a primary role in arresting translation in the cell. Our study identifed higBA2 and vapBC46 as key loci that were activated in all the conditions tested. Besides, relBE1, higBA3, vapBC35, vapBC22 and higBA1 were also upregulated in multpile stresses. Certain TA modules exhibited co-activation across multiple conditions suggestive of a common regulatory mechanism.
Dual functionality nanobioconjugates targeting intracellular bacteria in cancer cells with enhanced antimicrobial activity
Authors: Singh Rohini , Patil Smita , Singh Neetu , Gupta Shalini
Published: July 2017

Bacterial drug resistance has emerged as a serious global threat mandating the development of novel methodologies that allow facile modulation of antimicrobial action in a controlled fashion. Conjugating antibiotics to nanoparticles helps to meet this goal by increasing the drug’s overall avidity, bioavailability and easier internalisation into mammalian cells, targeting bacteria that otherwise escape antibacterial action by host cell-localisation. We used polymyxin B sulfate (PMB) and sushi peptide as model drugs against Gram-negative bacteria and established their enhanced antimicrobial activity onEscherichia coli(E. coli)cells after conjugation to gold nanoparticles (AuNPs). The efficacy of the bioconjugates was also tested onSalmonella typhi (S. typhi)bacteria infected into cervical cancer cells (HeLa) and further improved through specific targeting via folate receptors. Our results demonstrate significantly lower inhibitory concentration values for sushi-NP assemblies as compared to free drug, especially at optimal drug loading levels. No major cytotoxicity was observed in mammalian cells alone.
Phycocyanin attenuates pulmonary fibrosis via the TLR2-MyD88-NF-κB signaling pathway
Authors: Li Chengcheng , Yu Yan , Li Wenjun , Liu Bo , Jiao Xudong , Song Xinyu , Lv Changjun , Qin Song
Published: July 2017

Our aim was to investigate the effects of phycocyanin (PC) on bleomycin (BLM)-induced pulmonary fibrosis (PF). In this study, C57 BL/6 wild-type (WT) mice and toll-like receptor (TLR) 2 deficient mice were treated with PC for 28 days following BLM exposure. Serum and lung tissues were collected on days 3, 7 and 28. Data shows PC significantly decreased the levels of hydroxyproline (HYP), vimentin, surfactant-associated protein C (SP-C), fibroblast specific protein-1 (S100A4) and α-smooth muscle actin (α-SMA) but dramatically increased E-cadherin and podoplanin (PDPN) expression on day 28. Moreover, PC greatly decreased the levels of interleukin-6 (IL-6), tumor necrosis factor-α (TNF-α) and myeloperoxidase (MPO) at the earlier time. Reduced expression of key genes in the TLR2 pathway was also detected. Compared with WT mice, TLR2-deficient mice exhibited less injury, and the protective effect of PC was partly diminished in this background. These data indicate the anti-fibrotic effects of PC may be mediated by reducing W/D ratio, MPO, IL-6, TNF-α, protecting type I alveolar epithelial cells, inhibiting fibroblast proliferation, attenuating epithelial-mesenchymal transitions (EMT) and reducing oxidative stress. The TLR2-MyD88-NF-κB pathway plays an important role in PC-mediated reduction in pulmonary fibrosis.
Mammographic density, blood telomere length and lipid peroxidation
Authors: Erdmann Natalie J. , Harrington Lea A. , Martin Lisa J.
Published: July 2017

Extensive mammographic density is a strong risk factor for breast cancer, but may also be an indicator of biological age. In this study we examined whether mammographic density is related to blood telomere length, a potential marker of susceptibility to age-related disease. We measured mammographic density by a computer assisted method and blood telomere length using a validated PCR method. Urinary malondialdehyde (MDA), a marker of lipid peroxidation, was measured in 24 hour urine collections. In the 342 women examined telomere length was negatively correlated with age, was lower in postmenopausal compared to premenopausal women and in smokers compared to non-smokers, and was positively correlated with urinary MDA. Telomere length was not associated with percent mammographic density or dense area, before or after adjustment for risk factors and MDA. However, there was a significant interaction between telomere length and MDA in their association with mammographic density. At lower levels of MDA, mammographic density and telomere length were inversely associated; while at high levels of MDA, there was evidence of a J-shaped association between mammographic density and telomere length. Further work is need to replicate these results and to examine the association of mammographic density with age-related chronic disease and mortality.
Investigation of pyrophosphate versus ATP substrate selection in the Entamoeba histolytica acetate kinase
Authors: Dang Thanh , Ingram-Smith Cheryl
Published: July 2017

Acetate kinase (ACK; E.C. 2.7.2.1), which catalyzes the interconversion of acetate and acetyl phosphate, is nearly ubiquitous in bacteria but is present only in one genus of archaea and certain eukaryotic microbes. All ACKs utilize ATP/ADP as the phosphoryl donor/acceptor in the respective directions of the reaction (acetate + ATP $${\boldsymbol{\leftrightarrows }}$$
⇆
 acetyl phosphate + ADP), with the exception of the Entamoeba histolytica ACK (EhACK) which uses pyrophosphate (PPi)/inorganic phosphate (Pi) (acetyl phosphate + Pi 
$${\boldsymbol{\leftrightarrows }}$$
⇆
 acetate + PPi). Structural analysis and modeling of EhACK indicated steric hindrance by active site residues constricts entry to the adenosine pocket as compared to ATP-utilizing Methanosarcina thermophila ACK (MtACK). Reciprocal alterations were made to enlarge the adenosine pocket of EhACK and reduce that of MtACK. The EhACK variants showed a step-wise increase in ADP and ATP binding but were still unable to use these as substrates, and enzymatic activity with Pi/PPi was negatively impacted. Consistent with this, ATP utilization by MtACK variants was negatively affected but the alterations were not sufficient to convert this enzyme to Pi/PPi utilization. Our results suggest that controlling access to the adenosine pocket can contribute to substrate specificity but is not the sole determinant.
Surface chemistry and germination improvement of Quinoa seeds subjected to plasma activation
Authors: Gómez-Ramírez A. , López-Santos C. , Cantos M. , García J. L. , Molina R. , Cotrino J. , Espinós J. P. , González-Elipe A. R.
Published: July 2017

Plasma treatment is recognized as a suitable technology to improve germination efficiency of numerous seeds. In this work Quinoa seeds have been subjected to air plasma treatments both at atmospheric and low pressure and improvements found in germination rate and percentage of success. Seed water uptake by exposure to water vapor, although slightly greater for plasma treated seeds, did not justify the observed germination improvement. To identify other possible factors contributing to germination, the chemical changes experienced by outer parts of the seed upon plasma exposure have been investigated by X-ray photoemission spectroscopy (XPS) and scanning electron microscopy (SEM-EDX). XPS revealed that the outer layers of the Quinoa plasma treated seeds were highly oxidized and appeared enriched in potassium ions and adsorbed nitrate species. Simultaneously, SEM-EDX showed that the enrichment in potassium and other mineral elements extended to the seed pericarp and closer zones. The disappearance from the surface of both potassium ions and nitrate species upon exposure of the plasma treated seeds to water vapor is proposed as a factor favoring germination. The use of XPS to study chemical changes at seed surfaces induced by plasma treatments is deemed very important to unravel the mechanisms contributing to germination improvement.
The effect of metformin on survival of patients with pancreatic cancer: a meta-analysis
Authors: Li Xiaogang , Li Tong , Liu Zhiqiang , Gou Shanmiao , Wang Chunyou
Published: July 2017

We conducted a meta-analysis to analyse the effect of metformin on survival of pancreatic cancer patients at various stages. We performed a systematic search of PubMed, Embase, Cochrane, and Web of Science to identify all relevant studies. Summary hazard ratios (HR) of survival and 95% confidence intervals (95% CI) were calculated with a fixed or random effects model according to inter-study heterogeneity. Nine retrospective cohort studies and two randomized controlled trials (RCTs) were eligible. There was a significant improvement in survival (HR = 0.86, 95% CI 0.76–0.97; P < 0.05) in the metformin group compared with control. Subgroup analysis indicated that metformin improved survival in patients with resection (HR = 0.79, 95% CI 0.69–0.91; P < 0.05) and patients with locally advanced tumors (HR = 0.68, 95% CI 0.55–0.84; P < 0.05) but not in patients with metastatic tumors, even when RCT data were included (HR = 0.99, 95% CI 0.70–1.40; P > 0.05), or were excluded (HR = 0.89, 95% CI 0.61–1.31; P > 0.05). This meta-analysis indicated that the effect of metformin does correlate with tumor stage but should be prudently considered given the limited and variable studies performed to data.
Impairment of Coronary Endothelial Function by Hypoxia-Reoxygenation Involves TRPC3 Inhibition-mediated KCa Channel Dysfunction: Implication in Ischemia-Reperfusion Injury
Authors: Wang Xiang-Chong , Sun Wen-Tao , Fu Jie , Huang Jun-Hao , Yu Cheuk-Man , Underwood Malcolm John , He Guo-Wei , Yang Qin
Published: July 2017

Despite increasing knowledge of the significance of calcium-activated potassium (KCa) and canonical transient receptor potential (TRPC) channels in endothelial physiology, no studies so far have investigated the link between these two distinct types of channels in the control of vascular tone in pathological conditions. We previously demonstrated that hypoxia-reoxygenation (H-R) inhibits endothelial KCa and TRPC3 channels in porcine coronary arteries (PCAs). The present study further investigated whether modulation of TRPC3 is involved in H-R-induced KCa channel inhibition and associated vasodilatory dysfunction using approaches of wire myography, whole-cell voltage-clamp, and coimmunoprecipitation. Pharmacological inhibition or siRNA silencing of TRPC3 significantly suppressed bradykinin-induced intermediate- and small-conductance KCa (IKCa and SKCa) currents in endothelial cells of PCAs (PCAECs). TRPC3 protein exists in physical association with neither IKCa nor SKCa. In H-R-exposed PCAECs, the response of IKCa and SKCa to bradykinin-stimulation and to TRPC3-inhibition was markedly weakened. Activation of TRPC3 channels restored H-R-suppressed KCa currents in association with an improved endothelium-derived hyperpolarizing factor (EDHF)-type vasorelaxation. We conclude that inhibition of TRPC3 channels contributes to H-R-induced suppression of KCa channel activity, which serves as a mechanism underlying coronary endothelial dysfunction in ischemia-reperfusion (I-R) injury and renders TRPC3 a potential target for endothelial protection in I-R conditions.
Dynamics of high viscosity contrast confluent microfluidic flows
Authors: Kurdzinski Michael E. , Gol Berrak , Hee Aaron Co , Thurgood Peter , Zhu Jiu Yang , Petersen Phred , Mitchell Arnan , Khoshmanesh Khashayar
Published: July 2017

The laminar nature of microfluidic flows is most elegantly demonstrated via the confluence of two fluids forming two stable parallel flows within a single channel meeting at a highly stable interface. However, maintenance of laminar conditions can become complicated when there is a large viscosity contrast between the neighbouring flows leading to unique instability patterns along their interface. Here, we study the dynamics of high viscosity contrast confluent flows – specifically a core flow made of highly viscous glycerol confined by sheath flows made of water within a microfluidic flow focusing system. Our experiments indicate the formation of tapered core structures along the middle of the channel. Increasing the sheath flow rate shortens the tapered core, and importantly induces local instability patterns along the interface of core-sheath flows. The dynamics of such tapered core structures is governed by the intensity of instability patterns and the length of the core, according to which the core structure can experience stable, disturbed, broken or oscillated regimes. We have studied the dynamics of tapered core structures under these regimes. In particular, we have analysed the amplitude and frequency of core displacements during the broken core and oscillating core regimes, which have not been investigated before.
Carrier dynamics of Mn-induced states in GaN thin films
Authors: Chen Yu-Ting , Yang Chi-Yuan , Chen Po-Cheng , Sheu Jinn-Kong , Lin Kung-Hsuan
Published: July 2017

GaN-based materials are widely used for light emission devices, but the intrinsic property of wide bandgap makes it improper for photovoltaic applications. Recently, manganese was doped into GaN for absorption of visible light, and the conversion efficiency of GaN-based solar cells has been greatly improved. We conducted transient optical measurements to study the carrier dynamics of Mn-doped GaN. The lifetime of carriers in the Mn-related intermediate bands (at 1.5 eV above the valence band edge) is around 1.7 ns. The carrier relaxation within the Mn-induced bandtail states was on the order of a few hundred picoseconds. The relaxation times of different states are important parameters for optimization of conversion efficiency for intermediate-band solar cells.
Simultaneous Identification of Ten Bacterial Pathogens Using the Multiplex Ligation Reaction Based on the Probe Melting Curve Analysis
Authors: Jiang Yixiang , He Lianhua , Wu Pingfang , Shi Xiaolu , Jiang Min , Li Yinghui , Lin Yiman , Qiu Yaqun , Bai Fang , Liao Yiqun , Li Qingge , Zhang RenLi , Hu Qinghua
Published: July 2017

Pathogenic Vibrio spp., Aeromonas spp. and Plesiomonas shigelloides are associated with human gastroenteritis and wound infections, as well as fish diseases. The comprehensive and accurate identification of these pathogens is crucial for the current public health. The present study describes the development of a multiplex assay for the simultaneous identification of ten bacterial pathogens in a single reaction by using a multiplex ligation reaction based on probe melting curve analysis (MLMA). The specificity for target genes was 100%, as assessed with a panel of 67 bacterial pathogens, which indicated no cross-reactions. The detection limit of this assay ranged from 0.8 × 107 CFU/mL to 1.5 × 108 CFU/mL at the pure bacterial culture level and from 0.1 ng to 1.0 ng at the DNA level. The MLMA assay was used to detect ten species of pathogens in 269 clinical and seafood samples, and for further validation, the results were compared with the conventional culture method. The results indicated greater than 90% sensitivity and 100% specificity for each bacterial pathogen tested, and the kappa correlation for all the pathogens ranged from 0.95 to 1.00. Overall, this assay is well suited for public health laboratories for its high throughput, accuracy, and low cost.
On wakefulness fluctuations as a source of BOLD functional connectivity dynamics
Authors: Haimovici Ariel , Tagliazucchi Enzo , Balenzuela Pablo , Laufs Helmut
Published: July 2017

Human brain dynamics and functional connectivity fluctuate over a range of temporal scales in coordination with internal states and environmental demands. However, the neurobiological significance and consequences of functional connectivity dynamics during rest have not yet been established. We show that the coarse-grained clustering of whole-brain dynamic connectivity measured with magnetic resonance imaging reveals discrete patterns (dynamic connectivity states) associated with wakefulness and sleep. We validate this using EEG in healthy subjects and patients with narcolepsy and by matching our results with previous findings in a large collaborative database. We also show that drowsiness may account for previous reports of metastable connectivity states associated with different levels of functional integration. This implies that future studies of transient functional connectivity must independently monitor wakefulness. We conclude that a possible neurobiological significance of dynamic connectivity states, computed at a sufficiently coarse temporal scale, is that of fluctuations in wakefulness.
Facile and sustainable synthesis of carbon-doped ZnO nanostructures towards the superior visible light photocatalytic performance
Authors: Ansari Sajid Ali , Ansari S. G. , Foaud H. , Cho Moo Hwan
Published: July 2017

Design of carbon doped ZnO nanostructures towards enhanced visible light driven photocatalytic and photoelectrochemical performance.
A high-performance electrochemical dopamine sensor based on a platinum–nickel bimetallic decorated poly(dopamine)-functionalized reduced graphene oxide nanocomposite
Authors: Shen Yu , Sheng Qinglin , Zheng Jianbin
Published: July 2017

A nanocomposite of platinum–nickel bimetallic decorated poly(dopamine)-functionalized reduced graphene oxide (Pt–Ni/PDA/rGO) was synthesized by a facile method and a high-performance electrochemical sensor for dopamine detection was fabricated.
Efficient removal and trace determination of chlorophenols from water using mixed hemi-/ad-micelle ionic liquid-coated magnetic graphene oxide and the adsorption mechanism
Authors: Liu Wei , Zha Jun , Meng Xiaoyan , Wu Jianrong , Sun Cheng , Qiu Panzi , Fizir Meriem , He Hua
Published: July 2017

Solid phase extraction based on magnetic graphene oxide nanoparticles and 1-hexadecyl-3-methylimidazolium bromide is used for the removal and determination of chlorophenols in water.
Square-wave adsorptive anodic stripping voltammetric determination of ramipril using an electrochemical sensor based on nanostructured carbon black
Authors: Silva Tiago Almeida , Fatibello-Filho Orlando
Published: July 2017

A novel and alternative electroanalytical method for the determination of ramipril (RAM) using a glassy carbon electrode (GCE) modified with nanostructured carbon black (CB) is reported.
With unprotected amino acids to tetrazolo peptidomimetics
Authors: Madhavachary Rudrakshula , Wang Qian , Dömling Alexander
Published: July 2017

We have synthesized a library of tetrazolo peptidomimetics in two steps. The universality of this Ugi-tetrazole reaction was further examined using the N,C-unprotected dipeptide Gly–Gly and tripeptide Gly–Gly–Gly for the first time.
Rational synthesis of hierarchical magnetic mesoporous silica microspheres with tunable mesochannels for enhanced enzyme immobilization
Authors: Li Dapeng , Yi Renxing , Tian Jiangwei , Li Jinhua , Yu Boyang , Qi Jin
Published: July 2017

Mesopore size can be readily tuned by synergistic effects of the surfactant concentration and amphiphilic agents for various sizes of guest loading.
Unveiling the synergistic effect of polysulfide additive and MnO2 hollow spheres in evolving a stable cyclic performance in Li–S batteries
Authors: Ahad Syed Abdul , Ragupathy P. , Ryu Soojy , Lee Hyun-Wook , Kim Do Kyung
Published: July 2017

The inbuilt MnO2 hollow spheres trap polysulfides effectively, while the polysulfide additive provides mass buffering to compensate for the capacity loss and prevent the formation of Li2S exhibiting excellent rate capability and cycling stability.
Enhancing thermally activated delayed fluorescence characteristics by intramolecular B–N coordination in a phenylpyridine-containing donor–acceptor π-system
Authors: Matsuo Kyohei , Yasuda Takuma
Published: July 2017

The impact of intramolecular B–N coordination on the photophysical and thermally activated delayed fluorescence properties was investigated.
Oxidation-induced C–H amination leads to a new avenue to build C–N bonds
Authors: Yi Hong , Tang Zilu , Bian Changliang , Chen Hong , Qi Xiaotian , Yue Xiaoyu , Lan Yu , Lee Jyh-Fu , Lei Aiwen
Published: July 2017

An oxidation-induced C–H functionalization leads to a new avenue to build C–N bonds, which achieves different site-selectivity compared with “classic directing-group” conditions in the reported literature.
Highly regio-, diastereo- and enantioselective deracemization of axially chiral 3-alkylideneoxindoles
Authors: Mei Hongjiang , Lin Lili , Wang Lifeng , Dai Li , Liu Xiaohua , Feng Xiaoming
Published: July 2017

A variety of (Z)-4-alkyl-2-((3-oxo-1,3-diarylpropyl)cyclohexylidene)-indolin-2-ones with three stereogenic centers at ξ-, γ- and δ′-positions were obtained in up to 95% yield, 98% ee and 99/1 dr in the presence of L-PiPh/Sc(iii).
Regenerated CO anti-poisoning ability by anchoring highly oxidized platinum on oxygen-functionalized carbon spheres in one-step & two-phase synthesis for methanol electro-oxidation
Authors: Chai Zhanli , Wang Zhanzhong , Zhang Caixia , Bi Xi , Lang Junyu , Wang Xiaojing
Published: July 2017

A Pt@C–O catalyst with oxidized species of carbon and platinum obtained in two-phase synthesis exhibits regenerated CO anti-poisoning ability for MOR.
Tailoring the morphology of AlN: from 6-fold patterned crystals to multilayer hierarchical structures
Authors: Nersisyan Hayk H. , Lee Seong Hun , Choi Jeong Hun , Yoo Bung Uk , Lee Tae-Hyuk , Suh Hoyoung , Kim Jin-Gyu , Lee Jong Hyeon
Published: July 2017

Combustion of inorganic powder mixtures is not only one of the chemical routes of fabrication of advanced inorganic materials but is also drawing attention as a high-temperature process to grow inorganic nanocrystals of various shapes and morphology.
Photochrome-doped organic films for photonic keypad locks and multi-state fluorescence
Authors: Ritchie Chris , Vamvounis George , Soleimaninejad Hamid , Smith Trevor A. , Bieske Evan J. , Dryza Viktoras
Published: July 2017

PMMA polymer films doped with photochromic molecules have been prepared that can be photoswitched between three states and display novel fluorescence behavior.
The first water coordination sphere of lanthanide(iii) motexafins (Ln-Motex2+, Ln = La, Gd, Lu) and its effects on structures, reduction potentials and UV-vis absorption spectra. Theoretical studies
Authors: Cao Xiaoyan , Heinz Norah , Zhang Jun , Dolg Michael
Published: July 2017

An explicit treatment of strongly bound water molecules is mandatory to calculate correct UV-vis absorption spectra of lanthanide(iii) motexafins.
Potential energy surface stationary points and dynamics of the F−+ CH3I double inversion mechanism
Authors: Ma Yong-Tao , Ma Xinyou , Li Anyang , Guo Hua , Yang Li , Zhang Jiaxu , Hase William L.
Published: July 2017

Direct dynamics simulations were performed to study the SN2 double inversion mechanism SN2-DI, with retention of configuration, for the F−+ CH3I reaction.
A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT)
Authors: Ramanantoanina Harry , Daul Claude
Published: July 2017

It is shown that LFDFT can be used to simulate the optical spectrum of 2p core-electron excitation in compounds with 3d transition metal ions.
Supersaturation dependence of glycine polymorphism using laser-induced nucleation, sonocrystallization and nucleation by mechanical shock
Authors: Liu Yao , van den Berg Mees H. , Alexander Andrew J.
Published: July 2017

Nucleation of glycine by laser, ultrasound and mechanical shock exhibits a transition from the alpha to the gamma polymorph with increasing supersaturation.
Solvent-gated thin-film-transistors
Authors: Manoli Kyriaki , Seshadri Preethi , Singh Mandeep , Di Franco Cinzia , Nacci Angelo , Palazzo Gerardo , Torsi Luisa
Published: July 2017

TFTs gated through highly polar solvents have a salt independent response while for low polarity solvents the TFT current increases with salt. This was accounted for by the different contributions of Helmholtz and Guy-Chapman electrical double layers to the capacitance.
Hydrogen storage in bimetallic Ti–Al sub-nanoclusters supported on graphene
Authors: Ramos-Castillo C. M. , Reveles J. U. , Cifuentes-Quintal M. E. , Zope R. R. , de Coss R.
Published: July 2017

Variations in the hydrogen gravimetric content of Ti and TiAln clusters supported on graphene layers.
Edges of graphene and carbon nanotubes with high catalytic performance for the oxygen reduction reaction
Authors: Xu Zhanwei , Fan Xiaoli , Li Hejun , Fu Hao , Lau Woon Ming , Zhao Xueni
Published: July 2017

Graphene fragments prepared using a wet-grinding method show high catalytic performance for the oxygen reduction reaction.
Spectroscopic imaging studies of nanoscale polarity and mass transport phenomena in self-assembled organic nanotubes
Authors: Xu Hao , Nagasaka Shinobu , Kameta Naohiro , Masuda Mitsutoshi , Ito Takashi , Higgins Daniel A.
Published: July 2017

Two-color imaging fluorescence correlation spectroscopy reveals the local dielectric constant within self-assembled synthetic organic nanotubes.
Vesicle aggregates as a model for primitive cellular assemblies
Authors: de Souza Tereza Pereira , Bossa Guilherme Volpe , Stano Pasquale , Steiniger Frank , May Sylvio , Luisi Pier Luigi , Fahr Alfred
Published: July 2017

Primitive cell models help to understand the role that compartmentalization plays in origin of life scenarios.
An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability
Authors: Park G. Barratt , Krüger Bastian C. , Meyer Sven , Kandratsenka Alexander , Wodtke Alec M. , Schäfer Tim
Published: July 2017

Formaldehyde exhibits a high degree ofa-axis (“twirling”) rotational excitation about the CO bond axis, when directly scattered from the Au(111) surface.
Concerted transfer of multiple protons in acid–water clusters: [(HCl)(H2O)]2 and [(HF)(H2O)]4
Authors: Zakai I. , Varner M. E. , Gerber R. B.
Published: July 2017

Molecular dynamics simulations using directly ab initio potentials are carried out for the ionically bonded clusters [(Cl−)(H3O+)]2 and [(F−)(H3O+)]4 to explore their transitions to the hydrogen-bonded [(HCl)(H2O)]2 and [(HF)(H2O)]4 structures during the first picosecond of simulation.
Substantial enhancement of energy storage capability in polymer nanocomposites by encapsulation of BaTiO3 NWs with variable shell thickness
Authors: Wang Guanyao , Huang Yanhui , Wang Yuxin , Jiang Pingkai , Huang Xingyi
Published: July 2017

BaTiO3 nanowires encapsulated by TiO2 shells of variable thickness were utilized to fabricate dielectric polymer nanocomposites.
The amorphous state: first-principles derivation of the Gordon–Taylor equation for direct prediction of the glass transition temperature of mixtures; estimation of the crossover temperature of fragile glass formers; physical basis of the “Rule of 2/3”
Authors: Skrdla Peter J. , Floyd Philip D. , Dell’Orco Philip C.
Published: July 2017

Predicting the glass transition and crossover temperatures of pure amorphous phases and mixtures finds broad application across different fields of study.
Dissipative out-of-equilibrium assembly of man-made supramolecular materials
Authors: van Rossum Susan A. P. , Tena-Solsona Marta , van Esch Jan H. , Eelkema Rienk , Boekhoven Job
Published: July 2017

This tutorial review focuses on the structural and kinetic design of dissipative self-assembling systems and highlight their resulting unique properties.
Molecular conductors from bis(ethylenedithio)tetrathiafulvalene with tris(oxalato)rhodate
Authors: Martin Lee , Morritt Alexander L. , Lopez Jordan R. , Nakazawa Yasuhiro , Akutsu Hiroki , Imajo Shusaku , Ihara Yoshihiko , Zhang Bin , Zhang Yan , Guo Yanjun
Published: July 2017

A series of molecular conductors from BEDT-TTF with tris(oxalato)rhodate.
Highly reducible π-extended copper corroles
Authors: Yadav Pinky , Sankar Muniappan , Ke Xiangyi , Cong Lei , Kadish Karl M.
Published: July 2017

Di- and octa-phenylethynyl (PE) substituted π-extended copper corroles were synthesized and characterized as to their structural, electrochemical and spectroscopic properties.
Nanostructured CoO/NiO/CoNi anodes with tunable morphology for high performance lithium-ion batteries
Authors: Liu Huan , Wang Xinlu , Xu Hang , Yu Wensheng , Dong Xiangting , Yang Ying , Zhang Hongbo , Wang Jinxian
Published: July 2017

Nanostructured CoO/NiO/CoNi anodes for lithium-ion batteries (LIBs) with tunable morphology have been elaborately designed by selective dealloying of an Al–Ni–Co quasicrystal (QC) alloy.
Dual-ions electrochemical deionization: a desalination generator
Authors: Chen Fuming , Huang Yinxi , Guo Lu , Sun Linfeng , Wang Ye , Yang Hui Ying
Published: July 2017

A novel deionization technology was reported based on dual-ions electrochemistry technique, which possesses a stable salt removal capacity of 68.5 mg g−1. The salt is removed during the discharge process, and thus the system is called “desalination generator”.
Cu nanowires shelled with NiFe layered double hydroxide nanosheets as bifunctional electrocatalysts for overall water splitting
Authors: Yu Luo , Zhou Haiqing , Sun Jingying , Qin Fan , Yu Fang , Bao Jiming , Yu Ying , Chen Shuo , Ren Zhifeng
Published: July 2017

3D core–shell nanostructures of few-layer NiFe LDH nanosheets grown on Cu nanowires are fabricated toward highly efficient overall water splitting.
Long-term assessment of six-stacked scaled-up MFCs treating swine manure with different electrode materials
Authors: Vilajeliu-Pons A. , Puig S. , Salcedo-Dávila I. , Balaguer M. D. , Colprim J.
Published: July 2017

Evaluation of different electrode materials in stacked scaled-up MFCs for swine manure treatment to move the technology towards application.
Reversing membrane wetting in membrane distillation: comparing dryout to backwashing with pressurized air
Authors: Warsinger David M. , Servi Amelia , Connors Grace B. , Mavukkandy Musthafa O. , Arafat Hassan A. , Gleason Karen K. , Lienhard V John H.
Published: July 2017

Wetting of saline water through membrane distillation pores can be reversed with either drying out the membrane, or more effectively, by backwashing with pressurized air to force out wetting feed water.
Clean air in the Anthropocene
Authors: Lelieveld Jos
Published: July 2017

In atmospheric chemistry, interactions between air pollution, the biosphere and human health, often through reaction mixtures from both natural and anthropogenic sources, are of growing interest. Massive pollution emissions in the Anthropocene have transformed atmospheric composition to the extent that biogeochemical cycles, air quality and climate have changed globally and partly profoundly. It is estimated that mortality attributable to outdoor air pollution amounts to 4.33 million individuals per year, associated with 123 million years of life lost. Worldwide, air pollution is the major environmental risk factor to human health, and strict air quality standards have the potential to strongly reduce morbidity and mortality. Preserving clean air should be considered a human right, and is fundamental to many sustainable development goals of the United Nations, such as good health, climate action, sustainable cities, clean energy, and protecting life on land and in the water. It would be appropriate to adopt “clean air” as a sustainable development goal.
Chemical, nutritive composition and a wide range of bioactive properties of honey mushroom Armillaria mellea (Vahl: Fr.) Kummer
Authors: Kostić Marina , Smiljković Marija , Petrović Jovana , Glamočlija Jasmina , Barros Lillian , Ferreira Isabel C. F. R. , Ćirić Ana , Soković Marina
Published: July 2017

A methanolic extract prepared from these samples was tested for antioxidant, quorum sensing and antimicrobial assays, as well as for its cytotoxicity effects.
Valuable new platform chemicals obtained by valorisation of a model succinic acid and bio-succinic acid with an ionic liquid and high-pressure carbon dioxide
Authors: Silva Daniel , Bogel-Łukasik Ewa
Published: July 2017

Biomass and catalysis form a bridge between bio-based industry and the current process technology.
Sustainable barrier materials based on polysaccharide polyelectrolyte complexes
Authors: Basu Snehasish , Plucinski Adam , Catchmark Jeffrey M.
Published: July 2017

There is a need for sustainable, ecologically compatible barrier materials as a replacement for petroleum derived compounds for packaging and other applications that generate significant land and ocean pollution.
A beam path-based method for attenuation correction of confocal micro-X-ray fluorescence imaging data
Authors: Liu Peng , Ptacek Carol J. , Blowes David W. , Finfrock Y. Zou
Published: July 2017

The attenuated intensity was corrected using the Beer–Lambert law for each pixel by considering sample heterogeneity and confocal setup geometry.
A rapid method for accurate determination of 241Am by sector field inductively coupled plasma mass spectrometry and its application to Sellafield site soil samples
Authors: Wang Z. T. , Zheng J. , Imanaka T. , Uchida S.
Published: July 2017

A rapid sector field inductively coupled plasma mass spectrometry based 241Am analytical method for nuclear emergency response.
On-DNA Pd and Cu promoted C–N cross-coupling reactions
Authors: Lu Xiaojie , Roberts Sarah E. , Franklin George J. , Davie Christopher P.
Published: July 2017

We developed unprecedented Pd and Cu(i) promoted C–N cross-coupling reactions between a DNA-conjugated aryl iodide and primary amines.
Whole blood Fe isotopic signature in a sub-Saharan African population
Authors: Cikomola Justin C. , Flórez María R. , Costas-Rodríguez Marta , Anoshkina Yulia , Vandepoele Karl , Katchunga Philippe B. , Kishabongo Antoine S. , Speeckaert Marijn M. , Vanhaecke Frank , Delanghe Joris R.
Published: July 2017

The Fe isotopic composition of an individual's whole blood has recently been shown to be an interesting clinical indicator of Fe status.
Ferrocene–cinchona hybrids with triazolyl-chalcone linkers act as pro-oxidants and sensitize human cancer cell lines to paclitaxel
Authors: Podolski-Renić Ana , Bősze Szilvia , Dinić Jelena , Kocsis László , Hudecz Ferenc , Csámpai Antal , Pešić Milica
Published: July 2017

Epimeric ferrocene–quinidine hybrids with triazolyl-chalcone linkers act as pro-oxidative agents and autophagy modulators in paclitaxel resistant cancer cells.
Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives
Authors: Du Yao , Zhang Jichuan , Peng Panpan , Su Hui , Li Shenghua , Pang Siping
Published: July 2017

Three pyrazole based inner diazonium salts were synthesized with admirable performances, which can be used as potential primary explosives.
Renewable resource derived aliphatic hyperbranched polyurethane/aluminium hydroxide–reduced graphene oxide nanocomposites as robust, thermostable material with multi-stimuli responsive shape memory features
Authors: Bayan Rajarshi , Karak Niranjan
Published: July 2017

A high performing smart aliphatic hyperbranched polyurethane nanocomposite was developed.
Analogous self-assembly and crystallization: a chloride-directed orientated self-assembly of Cu nanoclusters and subsequent growth of Cu2−xS nanocrystals
Authors: Liu Jiale , Tian Ye , Wu Zhennan , Ai Lin , Liu Yi , Cui Jianli , Yu Weili , Zhang Hao , Yang Bai
Published: July 2017

Chloride both promotes the transformation of Cu nanocluster self-assembled architectures from one-dimensional (1D) to 2D, and facilitates the transformation of Cu2−xS nanocrystals from nanorods to nanosheets.
Nanoparticle cellular uptake by dendritic wedge peptides: achieving single peptide facilitated delivery
Authors: Breger Joyce C. , Muttenthaler Markus , Delehanty James B. , Thompson Darren A. , Oh Eunkeu , Susumu Kimihiro , Deschamps Jeffrey R. , Anderson George P. , Field Lauren D. , Walper Scott A. , Dawson Philip E. , Medintz Igor L.
Published: July 2017

Optimizing the cargo carrying capacity and especially the cellular delivery efficiency of functionalized nanoparticles.
Synthesis of platinum(ii) complex end functionalized star polymers: luminescence enhancements and unimolecular micelles in solvents of weakened quality
Authors: Qu Fang , Yang Beihong , He Qun , Bu Weifeng
Published: July 2017

Platinum(ii) complex end functionalized star polymers have been synthesized by reacting K2PtCl4 with star ligands ended with 2,6-bis(benzimidazol-2′-yl)pyridine. They show luminescence enhancements and form unimolecular micelles in solvents of weakened quality.
Correction: One-step synthesis of composite material MWCNT@BiVO4 and its photocatalytic activity
Authors: Zhao Deqiang , Wang Wenwen , Sun Yaofang , Fan Zihong , Du Mao , Zhang Qian , Ji Fangying , Xu Xuan
Published: July 2017

Correction for ‘One-step synthesis of composite material MWCNT@BiVO4 and its photocatalytic activity’ by Deqiang Zhao et al., RSC Adv., 2017, 7, 33671–33679.
Halogenation of glycopeptide antibiotics occurs at the amino acid level during non-ribosomal peptide synthesis
Authors: Kittilä Tiia , Kittel Claudia , Tailhades Julien , Butz Diane , Schoppet Melanie , Büttner Anita , Goode Rob J. A. , Schittenhelm Ralf B. , van Pee Karl-Heinz , Süssmuth Roderich D. , Wohlleben Wolfgang , Cryle Max J. , Stegmann Evi
Published: July 2017

Halogenase enzymes involved in glycopeptide antibiotic biosynthesis accept aminoacyl-carrier protein substrates.
Biomolecular conformational changes and ligand binding: from kinetics to thermodynamics
Authors: Wang Yong , Martins João Miguel , Lindorff-Larsen Kresten
Published: July 2017

Biomolecular systems such as protein–ligand complexes are governed by thermodynamic and kinetic properties that may be estimated at the same time through enhanced-sampling molecular simulations.
Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties
Authors: Mungalpara Disha , Valkonen Arto , Rissanen Kari , Kubik Stefan
Published: July 2017

A cyclic pseudooctapeptide binds a dihydrogenpyrophosphate dimer or a cyclic dihydrogenphosphate tetramer by sandwiching these anionic aggregates between two pseudopeptide rings.
The inter-micellar interaction enthalpies of DTAB/TX100 mixed micelles and their structural transitions
Authors: Yin Handi , Zheng Peizhu , Zhao Jihua , Shen Weiguo
Published: July 2017

The heats of mixing for a series of DTAB/TX100 mixed surfactant aqueous solutions were measured by flow-mixing calorimetry and isothermal titration calorimetry (ITC) at 298.15 K and 85 kPa, which were used to calculate the inter-micellar interaction enthalpies (−ΔHC).
Eukaryotic transcription factors: paradigms of protein intrinsic disorder
Authors: Staby Lasse , O'Shea Charlotte , Willemoës Martin , Theisen Frederik , Kragelund Birthe B. , Skriver Karen
Published: July 2017

Gene-specific transcription factors (TFs) are key regulatory components of signaling pathways, controlling, for example, cell growth, development, and stress responses. Their biological functions are determined by their molecular structures, as exemplified by their structured DNA-binding domains targeting specific cis-acting elements in genes, and by the significant lack of fixed tertiary structure in their extensive intrinsically disordered regions. Recent research in protein intrinsic disorder (ID) has changed our understanding of transcriptional activation domains from ‘negative noodles’ to ID regions with function-related, short sequence motifs and molecular recognition features with structural propensities. This review focuses on molecular aspects of TFs, which represent paradigms of ID-related features. Through specific examples, we review how the ID-associated flexibility of TFs enables them to participate in large interactomes, how they use only a few hydrophobic residues, short sequence motifs, prestructured motifs, and coupled folding and binding for their interactions with co-activators, and how their accessibility to post-translational modification affects their interactions. It is furthermore emphasized how classic biochemical concepts like allostery, conformational selection, induced fit, and feedback regulation are undergoing a revival with the appreciation of ID. The review also describes the most recent advances based on computational simulations of ID-based interaction mechanisms and structural analysis of ID in the context of full-length TFs and suggests future directions for research in TF ID.
KI/K2S2O8-Mediated α-C–H Sulfenylation of Carbonyl Compounds with (Hetero)Aryl Thiols
Authors: Yang Tao , Zhou Congshan , Yang Zan , Li Jiao , Hua Jie , Yi Jianmin
Published: July 2017

A new and facile KI/K2S2O8-mediated α-C–H sulfenylation of carbonyl compounds with (hetero)aryl thiols was developed for the formation of C–S bond at room temperature. This method provided a simple process for the synthesis of β-keto thioethers in moderate to excellent yields. A variety of carbonyl compounds and (hetero)aryl thiols were tolerated in this reaction.
Nucleophile/Electrophile Combinations in Aromatic Substitution: From Wheland to Wheland–Meisenheimer Intermediates Using Strongly Activated Arenes
Authors: Micheletti Gabriele , Boga Carla
Published: July 2017

This short review provides an overview on the interaction between 1,3,5-triaminobenzene derivatives and different kinds of electrophiles. Due to the ambident reactivity of these nucleophiles (i.e., at the nitrogen atom of the substituents and at the aromatic carbon atom) different compounds can be obtained. Particular attention is devoted to the detection, isolation, and characterization of covalent intermediates of aromatic substitution, starting from Wheland intermediates until the first detection and characterization of Wheland–Meisenheimer intermediates.

1 Introduction

2 Reactions between 1,3,5-Triaminobenzene Derivatives and Charged Electrophiles

2.1 The Proton as an Electrophile

2.2 Arenediazonium Salts as Electrophiles

3 Reactions between 1,3,5-Triaminobenzene Derivatives and Neutral­ Electrophiles

3.1 Alkyl Halides as Electrophiles

3.2 Acyl Halides and Sulfonyl Chlorides as Electrophiles

3.3 Aryl Halides and Heteroaryl Halides as Electrophiles

3.4 Polynitroheteroaromatics as Electrophiles

4 Conclusion
Palladium-Catalyzed Aerobic Oxidative Cyclization of Aliphatic Alkenyl Amides for the Construction of Pyrrolizidine and Indolizidine Derivatives
Authors: Yang Dan , Lo Kai-Yip , Ye Liu
Published: July 2017

An efficient palladium-catalyzed aerobic oxidative cyclization has been developed to synthesize a variety of pyrrolizidine and indolizidine derivatives from simple aliphatic alkenyl amides in moderate to good yields. The reaction features the capability of accessing various N-heterocycles and the use of molecular oxygen (1 atm) as the green oxidant.
Thiourea-Catalyzed Domino Michael–Mannich [3+2] Cycloadditions: A Strategy for the Asymmetric Synthesis of 3,3′-Pyrrolidinyl-dispirooxindoles
Authors: Zhi Ying , Zhao Kun , von Essen Carolina , Rissanen Kari , Enders Dieter
Published: July 2017

The asymmetric synthesis of trifluoromethylated 3,3′-pyrrolidinyl-dispirooxindole derivatives with four contiguous stereogenic centers, including two vicinal spiro-stereocenters, is described. Employing a bifunctional thiourea catalyst, a domino Michael–Mannich [3+2] cycloaddition occurs readily between isatin ketimines and isatin-derived enoates with good yields and very high stereoselectivities, providing a direct entry to the title compounds of potential medical value.