bluuebunny/crossref_metadata_2025 huggingface dataset:
Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase
Authors: Jacquet Pauline , Hiblot Julien , Daudé David , Bergonzi Céline , Gotthard Guillaume , Armstrong Nicholas , Chabrière Eric , Elias Mikael
Published: November 2017

The redesign of enzyme active sites to alter their function or specificity is a difficult yet appealing challenge. Here we used a structure-based design approach to engineer the lactonase SsoPox from Sulfolobus solfataricus into a phosphotriesterase. The five best variants were characterized and their structure was solved. The most active variant, αsD6 (V27A-Y97W-L228M-W263M) demonstrates a large increase in catalytic efficiencies over the wild-type enzyme, with increases of 2,210-fold, 163-fold, 58-fold, 16-fold against methyl-parathion, malathion, ethyl-paraoxon, and methyl-paraoxon, respectively. Interestingly, the best mutants are also capable of degrading fensulfothion, which is reported to be an inhibitor for the wild-type enzyme, as well as others that are not substrates of the starting template or previously reported W263 mutants. The broad specificity of these engineered variants makes them promising candidates for the bioremediation of organophosphorus compounds. Analysis of their structures reveals that the increase in activity mainly occurs through the destabilization of the active site loop involved in substrate binding, and it has been observed that the level of disorder correlates with the width of the enzyme specificity spectrum. This finding supports the idea that active site conformational flexibility is essential to the acquisition of broader substrate specificity.
Territory holders and non-territory holders in Ayu fish coexist only in the population growth process due to hysteresis
Authors: Katsumata Yuki , Uehara Takashi , Ito Hiromu , Yoshimura Jin , Tainaka Kei-ichi , Ichinose Genki
Published: November 2017

Ayu fish form feeding territories during a non-breeding (growing) season. When the density of the fish increases, phases gradually change. In the early growing season, all fish can hold territories at low density. Once all territory sites are occupied, newcomers become floaters. As the density further increases, territory holders have to spend much more time in defending their own territory and lose the time to feed on algae. Eventually, all fish give up their own territories and then form a school. In contrast, when the density decreases, territories are directly reformed from the school. In short, ayu fish exhibit a different transition, called hysteresis, where the two transitions occur widely-apart from each other. The dynamics of this intrinsic phenomena has not been demonstrated in previous studies. We develop a rate equation to describe the population dynamics within territorial competition. Our model successfully reproduces territorial hysteresis and indicates that territory holders and floaters can coexist only in the process of population growth. Moreover, we also find that the two critical densities of territorial hysteresis are conspicuously different from each other when the increase of the density of floaters sharply influences (step-function-like) the territories.
A multidisciplinary approach to study the reproductive biology of wild prawns
Authors: Bolognini L. , Donato F. , Lucchetti A. , Olivotto I. , Truzzi C. , Randazzo B. , Antonucci M. , Illuminati S. , Grati F.
Published: November 2017

This work aims to provide deeper knowledge on reproductive biology of P. kerathurus in a multidisciplinary way. Upon 789 examined females, 285 were found inseminated. The logistic equation enabled to estimate the size at first maturity at 30.7 mm CL for female. The Gono-Somatic Index (GSI) showed a pronounced seasonality, ranged from 0.80 ± 0.34 to 11.24 ± 5.72. Histological analysis highlighted five stages of ovarian development. Gonadal fatty acids analysis performed with gas chromatograph evidenced a pronounced seasonal variation; total lipids varied from 1.7% dry weight (dw) in Winter, to 7.2% dw in Summer. For the first time, a chemometric approach (Principal Component Analysis) was applied to relate GSI with total lipid content and fatty acid composition of gonads. The first two components (PC1 and PC2) showed that seasonality explained about 84% of the variability of all data set. In particular, in the period February-May, lipids were characterized by high PUFAs content, that were probably utilized during embryogenesis as energy source and as constituent of the cell membranes. During the summer season, gonads accumulated saturated FAs, that will be used during embryogenesis and early larval stages, while in the cold season total lipids decreased drastically and the gonad reached a quiescent state.
Lysophosphatidylcholine acyltransferase 4 is involved in chondrogenic differentiation of ATDC5 cells
Authors: Tabe Shirou , Hikiji Hisako , Ariyoshi Wataru , Hashidate-Yoshida Tomomi , Shindou Hideo , Shimizu Takao , Okinaga Toshinori , Seta Yuji , Tominaga Kazuhiro , Nishihara Tatsuji
Published: November 2017

Glycerophospholipids have important structural and functional roles in cells and are the main components of cellular membranes. Glycerophospholipids are formed via the de novo pathway (Kennedy pathway) and are subsequently matured in the remodeling pathway (Lands’ cycle). Lands’ cycle consists of two steps: deacylation of phospholipids by phospholipases A2 and reacylation of lysophospholipids by lysophospholipid acyltransferases (LPLATs). LPLATs play key roles in the maturation and maintenance of the fatty acid composition of biomembranes, and cell differentiation. We examined whether LPLATs are involved in chondrogenic differentiation of ATDC5 cells, which can differentiate into chondrocytes. Lysophosphatidylcholine acyltransferase 4 (LPCAT4) mRNA expression and LPCAT enzymatic activity towards 18:1-, 18:2-, 20:4-, and 22:6-CoA increased in the late stage of chondrogenic differentiation, when mineralization occurred. LPCAT4 knockdown decreased mRNA and protein levels of chondrogenic markers as well as Alcian blue staining intensity and alkaline phosphatase activity in ATDC5 cells. These results suggest that LPCAT4 plays important roles during the transition of chondrocytes into hypertrophic chondrocytes and/or a mineralized phenotype.
Thermally nucleated magnetic reversal in CoFeB/MgO nanodots
Authors: Meo Andrea , Chureemart Phanwadee , Wang Shuxia , Chepulskyy Roman , Apalkov Dmytro , Chantrell Roy W. , Evans Richard F. L.
Published: November 2017

Power consumption is the main limitation in the development of new high performance random access memory for portable electronic devices. Magnetic RAM (MRAM) with CoFeB/MgO based magnetic tunnel junctions (MTJs) is a promising candidate for reducing the power consumption given its non-volatile nature while achieving high performance. The dynamic properties and switching mechanisms of MTJs are critical to understanding device operation and to enable scaling of devices below 30 nm in diameter. Here we show that the magnetic reversal mechanism is incoherent and that the switching is thermally nucleated at device operating temperatures. Moreover, we find an intrinsic thermal switching field distribution arising on the sub-nanosecond time-scale even in the absence of size and anisotropy distributions or material defects. These features represent the characteristic signature of the dynamic properties in MTJs and give an intrinsic limit to reversal reliability in small magnetic nanodevices.
Automated VSS-based Burn Scar Assessment using Combined Texture and Color Features of Digital Images in Error-Correcting Output Coding
Authors: Pham Tuan D. , Karlsson Matilda , Andersson Caroline M. , Mirdell Robin , Sjoberg Folke
Published: November 2017

Assessment of burn scars is an important study in both medical research and clinical settings because it can help determine response to burn treatment and plan optimal surgical procedures. Scar rating has been performed using both subjective observations and objective measuring devices. However, there is still a lack of consensus with respect to the accuracy, reproducibility, and feasibility of the current methods. Computerized scar assessment appears to have potential for meeting such requirements but has been rarely found in literature. In this paper an image analysis and pattern classification approach for automating burn scar rating based on the Vancouver Scar Scale (VSS) was developed. Using the image data of pediatric patients, a rating accuracy of 85% was obtained, while 92% and 98% were achieved for the tolerances of one VSS score and two VSS scores, respectively. The experimental results suggest that the proposed approach is very promising as a tool for clinical burn scar assessment that is reproducible and cost-effective.
Possible Tomonaga-Luttinger spin liquid state in the spin-1/2 inequilateral diamond-chain compound K3Cu3AlO2(SO4)4
Authors: Fujihala Masayoshi , Koorikawa Hiroko , Mitsuda Setsuo , Morita Katsuhiro , Tohyama Takami , Tomiyasu Keisuke , Koda Akihiro , Okabe Hirotaka , Itoh Shinichi , Yokoo Tetsuya , Ibuka Soshi , Tadokoro Makoto , Itoh Masaki , Sagayama Hajime , Kumai Reiji , Murakami Youichi
Published: November 2017

K3Cu3AlO2(SO4)4 is a highly one-dimensional spin-1/2 inequilateral diamond-chain antiferromagnet. Spinon continuum and spin-singlet dimer excitations are observed in the inelastic neutron scattering spectra, which is in excellent agreement with a theoretical prediction: a dimer-monomer composite structure, where the dimer is caused by strong antiferromagnetic (AFM) coupling and the monomer forms an almost isolated quantum AFM chain controlling low-energy excitations. Moreover, muon spin rotation/relaxation spectroscopy shows no long-range ordering down to 90 mK, which is roughly three orders of magnitude lower than the exchange interaction of the quantum AFM chain. K3Cu3AlO2(SO4)4 is, thus, regarded as a compound that exhibits a Tomonaga-Luttinger spin liquid behavior at low temperatures close to the ground state.
Squalene epoxidase plays a critical role in determining pig meat quality by regulating adipogenesis, myogenesis, and ROS scavengers
Authors: Ha Jeongim , Kwon Seulgi , Hwang Jung Hye , Park Da Hye , Kim Tae Wan , Kang Deok Gyeong , Yu Go Eun , Park Hwa Chun , An Sang Mi , Kim Chul Wook
Published: November 2017

In mammals, Squalene epoxidase (SQLE) is an enzyme that converts squalene to 2,3-oxidosqualene, in the early stage of cholesterol generation. Here, we identified single nucleotide polymorphisms (SNPs) in the SQLE gene (c.2565 G > T) by RNA Sequencing from the liver tissue of Berkshire pigs. Furthermore, we found that homozygous GG pigs expressed more SQLE mRNA than GT heterozygous and TT homozygous pigs in longissimus dorsi tissue. Next, we showed that the SNP in the SQLE gene was associated with several meat quality traits including backfat thickness, carcass weight, meat colour (yellowness), fat composition, and water-holding capacity. Rates of myogenesis and adipogenesis induced in C2C12 cells and 3T3-L1 cells, respectively, were decreased by Sqle knockdown. Additionally, the expression of myogenic marker genes (Myog, Myod, and Myh4) and adipogenic marker genes (Pparg, Cebpa, and Adipoq) was substantially downregulated in cells transfected with Sqle siRNA. Moreover, mRNA expression levels of ROS scavengers, which affect meat quality by altering protein oxidation processes, were significantly downregulated by Sqle knockdown. Taken together, our results suggest the molecular mechanism by which SNPs in the SQLE gene can affect meat quality.
Injectable nanohydroxyapatite-chitosan-gelatin micro-scaffolds induce regeneration of knee subchondral bone lesions
Authors: Wang B. , Liu W. , Xing D. , Li R. , Lv C. , Li Y. , Yan X. , Ke Y. , Xu Y. , Du Y. , Lin J.
Published: November 2017

Subchondral bone has been identified as an attractive target for KOA. To determine whether a minimally invasive micro-scaffolds could be used to induce regeneration of knee subchondral bone lesions, and to examine the protective effect of subchondral bone regeneration on upper cartilage, a ready-to-use injectable treatment with nanohydroxyapatite-chitosan-gelatin micro-scaffolds (HaCGMs) is proposed. Human-infrapatellar-fat-pad-derived adipose stem cells (IPFP-ASCs) were used as a cellular model to examine the osteo-inductivity and biocompatibility of HaCGMs, which were feasibly obtained with potency for multi-potential differentiations. Furthermore, a subchondral bone lesion model was developed to mimic the necrotic region removing performed by surgeons before sequestrectomy. HaCGMs were injected into the model to induce regeneration of subchondral bone. HaCGMs exhibited desirable swelling ratios, porosity, stiffness, and bioactivity and allowed cellular infiltration. Eight weeks after treatment, assessment via X-ray imaging, micro-CT imaging, and histological analysis revealed that rabbits treated with HaCGMs had better subchondral bone regeneration than those not treated. Interestingly, rabbits in the HaCGM treatment group also exhibited improved reservation of upper cartilage compared to those in other groups, as shown by safranin O-fast green staining. Present study provides an in-depth demonstration of injectable HaCGM-based regenerative therapy, which may provide an attractive alternative strategy for treating KOA.
Rapid and Sensitive SERS Detection of Bisphenol A Using Self-assembled Graphitic Substrates
Authors: Lin Pei-Ying , Hsieh Chiung-Wen , Hsieh Shuchen
Published: November 2017

We have prepared and tested a new surface enhanced Raman scattering (SERS) substrate based on self-assembled graphitic sheets to detect bisphenol A (BPA) in plastic consumer goods. Transmission electron microscopy (TEM) and atomic-force microscopy (AFM) were used to characterize the structure of the graphitic sheets and showed a lattice spacing of 0.24 nm and layer height of 0.34 nm. These values were comparable to single monolayer graphene. The effective SERS detection limit of this method is 1 μM BPA, which is lower than the European Union specific migration limit for BPA of 0.6 mg/kg (2.6 μM). When used in salt solutions, graphitic sheets exhibited ultra-sensitivity toward BPA of 0.025 M to 2 M, which was broader than physiological ionic strength (0.14 M) and urinary NaCl (0.17 M). Our results demonstrated that this graphitic sheet based SERS detection platform can be used to determine BPA levels leached from commercial polycarbonate plastic products and for on-site rapid analysis with good results.
Medical examination powers miR-194-5p as a biomarker for postmenopausal osteoporosis
Authors: Ding Haifeng , Meng Jia , Zhang Wei , Li Zhangming , Li Wenjing , Zhang Mingming , Fan Ying , Wang Qiujun , Zhang Yina , Jiang Lihong , Zhu Wenliang
Published: November 2017

An important attribute of microRNAs is their potential use as disease biomarkers. However, such applications may be restricted because of unsatisfactory performance of the microRNA of interest. Owing to moderate correlation with spine T-score, miR-194-5p was identified as a potential biomarker for postmenopausal osteoporosis. Here, we determined whether medical examination could improve its characteristic as a biomarker for postmenopausal osteoporosis. We recruited 230 postmenopausal Chinese women to measure circulating levels of miR-194-5p, determine the spine bone status, and perform a 42-item medical examination. No obvious information redundancy was observed between miR-194-5p and any one item. However, on examining miR-194-5p alone, the sensitivity at fixed specificity of 0.9 (SESP=0.9) was 0.27, implying poor identification of at-risk individuals. Model integration of the microRNA and multiple medical items strengthened this property; in addition, model complexity greatly contributed to performance improvement. Using a model composed of two artificial neural networks, the ability of miR-194-5p to identify at-risk individuals significantly improved (SESP=0.9 = 0.54) when correlated with five medical items: weight, age, left ventricular end systolic diameter, alanine aminotransferase, and urine epithelial cell count. We present a feasible way to achieve a more accurate microRNA-based biomarker for a disease of interest.
Magnetic stratigraphic dating of marine hydrogenetic ferromanganese crusts
Authors: Yuan Wei , Zhou Huaiyang , Zhao Xixi , Yang Zhenyu , Yang Qunhui , Zhu Benduo
Published: November 2017

Deep-sea hydrogenetic ferromanganese crusts are both potential polymetallic resources and records of long-term environmental changes. For palaeoceanographic studies, it is important to construct a detailed and reliable chronological framework. Here, we report the results of a detailed magnetostratigraphic and rock magnetic study of four hydrogenetic Fe-Mn crusts from the Pacific Ocean (PO-01), South China Sea (SCS-01, SCS-02) and Indian Ocean (IO-01). Two groups of characteristic remanent magnetization directions were defined with nearly antipodal normal and reversed polarities for samples PO-01, SCS-01 and SCS-02, indicating a primary record of the Earth’s magnetic field. The magnetostratigraphic framework, established via correlation with the Geomagnetic Polarity Time Scale 2012, implies growth rates of 4.82 mm/Ma, 4.95 mm/Ma, 4.48 mm/Ma and 11.28 mm/Ma for samples PO-01, SCS-01, SCS-02 and IO-01, respectively. Rock magnetic measurements revealed that the Fe-Mn crust samples from the Pacific Ocean and Indian Ocean were dominated by low coercivity, non-interacting, single-domain (SD) magnetite particles, whereas the South China Sea samples were dominated by SD/pseudo-single-domain (PSD) particles. Multidomain (MD) magnetite may also be present in all samples.
Legume crop rotation suppressed nitrifying microbial community in a sugarcane cropping soil
Authors: Paungfoo-Lonhienne Chanyarat , Wang Weijin , Yeoh Yun Kit , Halpin Neil
Published: November 2017

Nitrifying microorganisms play an important role in nitrogen (N) cycling in agricultural soils as nitrification leads to accumulation of nitrate (NO3−) that is readily lost through leaching and denitrification, particularly in high rainfall regions. Legume crop rotation in sugarcane farming systems can suppress soil pathogens and improve soil health, but its effects on soil nitrifying microorganisms are not well understood. Using shotgun metagenomic sequencing, we investigated the impact of two legume break crops, peanut (Arachis hypogaea) and soybean (Glycine max), on the nitrifying communities in a sugarcane cropping soil. Cropping with either legume substantially increased abundances of soil bacteria and archaea and altered the microbial community composition, but did not significantly alter species richness and evenness relative to a bare fallow treatment. The ammonia oxidisers were mostly archaeal rather than bacterial, and were 24–44% less abundant in the legume cropping soils compared to the bare fallow. Furthermore, abundances of the archaeal amoA gene encoding ammonia monooxygenase in the soybean and peanut cropping soils were only 30–35% of that in the bare fallow. These results warrant further investigation into the mechanisms driving responses of ammonia oxidising communities and their nitrification capacity in soil during legume cropping.
The role of oxidative stress in the crosstalk between leptin and mineralocorticoid receptor in the cardiac fibrosis associated with obesity
Authors: Gutiérrez-Tenorio Josué , Marín-Royo Gema , Martínez-Martínez Ernesto , Martín Rubén , Miana María , López-Andrés Natalia , Jurado-López Raquel , Gallardo Isabel , Luaces María , San Román José Alberto , González-Amor María , Salaices Mercedes , Nieto María Luisa , Cachofeiro Victoria
Published: November 2017

We have investigated whether mineralocorticoid receptor activation can participate in the profibrotic effects of leptin in cardiac myofibroblasts, as well as the potential mechanisms involved. The presence of eplerenone reduced the leptin-induced increase in protein levels of collagen I, transforming growth factor β, connective tissue growth factor and galectin-3 and the levels of both total and mitochondrial of superoxide anion (O2.−) in cardiac myofibroblasts. Likewise, the MEK/ERK inhibitor, PD98059, and the PI3/Akt inhibitor, LY294002, showed a similar pattern. Mitochondrial reactive oxygen species (ROS) scavenger (MitoTempo) attenuated the increase in body weight observed in rats fed a high fat diet (HFD). No differences were found in cardiac function or blood pressure among any group. However, the cardiac fibrosis and enhanced O2.-levels observed in HFD rats were attenuated by MitoTempo, which also prevented the increased circulating leptin and aldosterone levels in HFD fed animals. This study supports a role of mineralocorticoid receptor in the cardiac fibrosis induced by leptin in the context of obesity and highlights the role of the mitochondrial ROS in this process.
Cascading collapse of online social networks
Authors: Török János , Kertész János
Published: November 2017

Online social networks have increasing influence on our society, they may play decisive roles in politics and can be crucial for the fate of companies. Such services compete with each other and some may even break down rapidly. Using social network datasets we show the main factors leading to such a dramatic collapse. At early stage mostly the loosely bound users disappear, later collective effects play the main role leading to cascading failures. We present a theory based on a generalised threshold model to explain the findings and show how the collapse time can be estimated in advance using the dynamics of the churning users. Our results shed light to possible mechanisms of instabilities in other competing social processes.
Transcriptome analysis of watermelon (Citrullus lanatus) fruits in response to Cucumber green mottle mosaic virus (CGMMV) infection
Authors: Li Xiaodong , An Mengnan , Xia Zihao , Bai Xiaojiao , Wu Yuanhua
Published: November 2017

Cucumber green mottle mosaic virus(CGMMV) belongs to theTobamovirusgenus and is a major global plant virus on cucurbit plants. It causes severe disease symptoms on infected watermelon plants (Citrullus lanatus), particularly inducing fruit decay. However, little is known about the molecular mechanism of CGMMV-induced watermelon fruit decay. For this study, comparative analysis of transcriptome profiles of CGMMV-inoculated and mock-inoculated watermelon fruits were conducted via RNA-Seq. A total of 1,621 differently expressed genes (DEGs) were identified in CGMMV-inoculated watermelon, among which 1,052 were up-regulated and 569 were down-regulated. Functional annotation analysis showed that several DEGs were involved in carbohydrate metabolism, hormone biosynthesis and signaling transduction, secondary metabolites biosynthesis, and plant-pathogen interactions. We furthermore found that some DEGs were related to cell wall components and photosynthesis, which may directly be involve in the development of the symptoms associated with diseased watermelons. To confirm the RNA-Seq data, 15 DEGs were selected for gene expression analysis by qRT-PCR. The results showed a strong correlation between these two sets of data. Our study identified many candidate genes for further functional studies during CGMMV-watermelon interactions, and will furthermore help to clarify the understanding of pathogenic mechanism underlying CGMMV infection in cucurbit plants.
High-pressure versus low-pressure home non-invasive positive pressure ventilation with built-in software in patients with stable hypercapnic COPD: a pilot study
Authors: Zhou Luqian , Guan Lili , Wu Weiliang , Li Xiaoying , Chen Xin , Guo Bingpeng , Huo Yating , Xu Jiawen , Yang Yuqiong , Chen Rongchang
Published: November 2017

High-pressure non-invasive positive pressure ventilation (NPPV) is a new strategy targeted at maximally reducing arterial carbon dioxide. However, high inspiratory positive airway pressure (IPAP) might cause respiratory adverse events likely to diminish the benefit of NPPV. In the setting of ventilatory support, monitoring NPPV efficacy and resolving problems promptly are critical. This study assessed the treatment effect of high and low-pressure NPPV in chronic hypercapnic COPD using home ventilator with built-in software. In this pilot study, we investigated 34 patients using NPPV for 3 months. 13 patients used high-pressure ventilation and 21 patients used low-pressure ventilation. The primary outcome was daytime partial pressure of arterial blood carbon dioxide (PaCO2). There were no between-group differences in daytime PaCO2 and FEV1, but a trend favouring high-pressure NPPV was observed. Significant between-group differences were found in the transition dyspnoea index (TDI) (high-pressure, 1.69 ± 1.75, versus low-pressure, −0.04 ± 2.71, p = 0.044). No differences were found in usage time, leakage, health-related quality of life, spirometry, or 6-minute walk test. High-pressure NPPV with built-in software monitoring in patients with chronic hypercapnic COPD is associated with improvement in TDI scores and a positive trend in favour of high-pressure NPPV for improving PaCO2 is observed.
Sample preparation for polar metabolites in bioanalysis
Authors: Drouin Nicolas , Rudaz Serge , Schappler Julie
Published: November 2017

Sample preparation is a primary step of any bioanalytical workflow, especially in metabolomics where maximum information has to be obtained without spoiling the analytical instrument. The sample extraction of polar metabolites is still challenging but strategies exist to enable the phase transfer of hydrophilic metabolites from the biological phase to a clean interference-free phase.
Hairpin loop-enhanced fluorescent copper nanoclusters and application in S1 nuclease detection
Authors: Peng Xian-sui , Chen Si-Yu , Ou Li-Juan , Luo Feng-Wu , Qin Si-Wen , Sun Ai-ming
Published: November 2017

A novel hairpin DNA template with an AT24 double strand stem and a six-base loop was demonstrated for the first time to prepare CuNCs with dramatically enhanced fluorescence and applied for the sensitive detection of S1 nuclease.
Development of molecularly imprinted photonic polymers for sensing of sulfonamides in egg white
Authors: Zhang Ying-Hui , Ren Hui-Hui , Yu Li-Ping
Published: November 2017

We developed a simple method based on molecularly imprinted photonic polymers (MIPPs) for sensing of sulfonamides in egg white samples.
Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives
Authors: Midya Siba P. , Landge Vinod G. , Sahoo Manoj K. , Rana Jagannath , Balaraman Ekambaram
Published: November 2017

A molecularly defined SNS-cobalt(ii) catalyst for the acceptorless dehydrogenative coupling (ADC) of unprotected amino alcohols with secondary alcohols leading to pyrrole and pyridine derivatives is reported.
Molecular recognition of carboxylates in the protein leucine zipper by a multivalent supramolecular ligand: residue-specific, sensitive and label-free probing by UV resonance Raman spectroscopy
Authors: Zakeri B. , Niebling S. , Martinéz A. G. , Sokkar P. , Sanchez-Garcia E. , Schmuck C. , Schlücker S.
Published: November 2017

Proof of concept study for using UVRR spectroscopy to monitor the selective binding of an artificial ligand to carboxylate residues of a protein.
Spontaneous protein desorption from self-assembled monolayer (SAM)-coated gold nanoparticles
Authors: Tian Ranran , Luo Mengbo , Li Jingyuan
Published: November 2017

Interfacial water molecules and lateral diffusion of protein reduce the adsorption affinity of protein and promote protein desorption.
Probing molecular forces in multi-component physiological membranes
Authors: Ray Arjun , Gräter Frauke , Thukral Lipi
Published: November 2017

By combining MD simulations and the newly developed Lipid-Force Distribution Analysis (L-FDA), we explore force transmission in complex multi-component membrane models mimicking eukaryotic organelles. We found that the chemical-moiety based segmentation at membrane interfaces revealed a distinctive distribution of bonded and non-bonded forces in diverse membrane environment.
A closer look into deep eutectic solvents: exploring intermolecular interactions using solvatochromic probes
Authors: Florindo C. , McIntosh A. J. S. , Welton T. , Branco L. C. , Marrucho I. M.
Published: November 2017

Kamlet Taft solvatochromic parameters, namely the hydrogen-bond acidity, hydrogen-bond basicity and dipolarity/polarizability and ETN parameters of a wide range of DESs composed of cholinium chloride, dl-menthol and a quaternary ammonium salt ([N4444]Cl), and corresponding ILs are here presented.
A high-performance electrochemical supercapacitor based on a polyaniline/reduced graphene oxide electrode and a copper(ii) ion active electrolyte
Authors: Luo Yangxi , Zhang Qin’e , Hong Wenjing , Xiao Zongyuan , Bai Hua
Published: November 2017

High capacitance is obtained by using Cu(ii) ions as a cathodic active electrolyte to work with a polyaniline/reduced graphene oxide anode.
Synthesis of cobalt nanoparticles by pyrolysis of vitamin B12: a non-noble-metal catalyst for efficient hydrogenation of nitriles
Authors: Ferraccioli Raffaella , Borovika Diana , Surkus Annette-Enrica , Kreyenschulte Carsten , Topf Christoph , Beller Matthias
Published: November 2017

A facile preparation of vitamin B12-derived carbonaceous cobalt particles supported on ceria is reported.
CoMnxOy nanosheets with molecular-scale homogeneity: an excellent catalyst for toluene combustion
Authors: Wang Yu , Guo Limin , Chen Mengqiu , Shi Chuan
Published: November 2017

The redox–precipitation technique yields molecularly dispersed CoMnxOy nanosheets with improved physicochemical properties compared to those obtained by a conventional co-precipitation method, leading to excellent catalytic activity in toluene combustion.
Experimental and theoretical studies on the NLO properties of two quaternary non-centrosymmetric chalcogenides: BaAg2GeS4and BaAg2SnS4
Authors: Chen Hong , Liu Pei-Fei , Li Bing-Xuan , Lin Hua , Wu Li-Ming , Wu Xin-Tao
Published: November 2017

Two new phase-matchable MFIR NLO materials, BaAg2MS4(M = Ge, Sn), with a compressed chalcopyrite-like structure are reported. Remarkably, they exhibit a good balance between strong SHG responses and high LIDTs.
CO2enhanced oil recovery: a catalyst for gigatonne-scale carbon capture and storage deployment?
Authors: Kolster Clea , Masnadi Mohammad S. , Krevor Samuel , Mac Dowell Niall , Brandt Adam R.
Published: November 2017

Using carbon dioxide for enhanced oil recovery (CO2-EOR) has been widely cited as a potential catalyst for gigatonne-scale carbon capture and storage (CCS) deployment.
Synergistic arsenic(v) and lead(ii) retention on synthetic jarosite. I. Simultaneous structural incorporation behaviour and mechanism
Authors: Aguilar-Carrillo J. , Villalobos M. , Pi-Puig T. , Escobar-Quiroz I. N. , Romero F. M.
Published: November 2017

This research provides advances in the geochemical understanding of jarosite behaviour when the ubiquitous As(v) and Pb(ii) are present during their formation.
Polyphenol-enriched berry extracts naturally modulate reactive proteins in model foods
Authors: Lila Mary Ann , Schneider Maggie , Devlin Amy , Plundrich Nathalie , Laster Scott , Foegeding E. Allen
Published: November 2017

Healthy foods like polyphenol-rich berries and high quality edible proteins are in demand in today's functional food marketplace, but it can be difficult to formulate convenient food products with physiologically-relevant amounts of these ingredients and still maintain product quality.
Advances in directed assembly: a themed collection
Authors: Nealey Paul F. , Stoykovich Mark
Published: November 2017

Guest Editors Paul F. Nealey and Mark Stoykovich introduce this themed collection of papers.
The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of newN2-,S2- andO2-alicyclic iron(ii) di- and tetrachloroclathrochelates
Authors: Zelinskii Genrikh E. , Belov Alexander S. , Belaya Irina G. , Vologzhanina Anna V. , Novikov Valentin V. , Varzatskii Oleg A. , Voloshin Yan Z.
Published: November 2017

New iron(ii) di- and tetrahalogenoclathrochelates with apical functionalizing substituents were prepared and characterized.
Studies on the DNA binding and anticancer activity of Ru(ii) polypyridyl complexes by using a (2-(4-(diethoxymethyl)-1H-imidazo[4,5-f][1,10] phenanthroline)) intercalative ligand
Authors: Vuradi Ravi Kumar , Dandu Kamakshi , Yata Praveen Kumar , M. Vinoda Rani , Mallepally Rajender Reddy , Chintakuntla Nagamani , Ch Ravi , Thakur Suman S , Rao Ch. Mohan , S. Satyanarayana
Published: November 2017

Graphical representation of Ru(ii) complexes causing cell death.
Development of a fluorescent chemosensor towards sensing and separation of Mg2+ ions in chlorophyll and hard water
Authors: Tamil Selvan G. , V. Chitra , Israel V. M. V. Enoch , Selvakumar P. Mosae
Published: November 2017

A dyad receptor bearing a disulfide spacer and a naphthol terminal group has been designed for sensing of Mg2+ ions and the receptor incorporated polysulphone membrane is used to remove Mg2+ ions present in hard water.
Work function and temperature dependence of electron tunneling through an N-type perylene diimide molecular junction with isocyanide surface linkers
Authors: Smith Christopher E. , Xie Zuoti , Bâldea Ioan , Frisbie C. Daniel
Published: November 2017

Experiments on n-type perylene diimide nanojunctions with different contacts at variable temperature allow discrimination between tunneling and hopping mechanisms.
An ultra-low frictional interface combining FDTS SAMs with molybdenum disulfide
Authors: Cao Xing'an , Gan Xuehui , Peng Yitian , Wang Yongxia , Zeng Xingzhong , Lang Haojie , Deng Jinan , Zou Kun
Published: November 2017

In this work, an ultra-low frictional interface was achieved, which combines FDTS SAMs with molybdenum disulfide.
Self-assembled N-graphene nanohollows enabling ultrahigh energy density cathode for Li–S batteries
Authors: Tang Hanting , Yang Jinlong , Zhang Guangxing , Liu Chaokun , Wang Han , Zhao Qinghe , Hu Jiangtao , Duan Yandong , Pan Feng
Published: November 2017

A novel structure enables Li–S batteries to display large-capacity, high-rate and long-life at an ultra-high areal sulfur loading.
Copper inter-nanoclusters distance-modulated chromism of self-assembly induced emission
Authors: Ai Lin , Liu Zhaoyu , Zhou Ding , Liu Jiale , Zou Haoyang , Wu Zhennan , Liu Yi , Zhang Hao , Yang Bai
Published: November 2017

The color of self-assembly induced emission of Cu nanoclusters is tunable by controlling the Cu inter-nanocluster distance.
A graphene mesh as a hybrid electrode for foldable devices
Authors: Cho E. H. , Kim M. J. , Sohn H. , Shin W. H. , Won J. Y. , Kim Y. , Kwak C. , Lee C. S. , Woo Y. S.
Published: November 2017

A new hybrid electrode for foldable devices based on graphene mesh structures showed extreme flexibility without breakdown after 100 000 cycles.
Raman antenna effect from exciton–phonon coupling in organic semiconducting nanobelts
Authors: Wang Mao , Gong Yi , Alzina Francesc , Svoboda Ondrej , Ballesteros Belén , Sotomayor Torres Clivia M. , Xiao Senbo , Zhang Zhiliang , He Jianying
Published: November 2017

Raman antenna effect resulting from the coupling of molecular excitons and intramolecular phonons are reported in organic semiconducting nanobelts of 6,13-dichloropentacene (DCP).
A ferroelectric liquid crystal confined in cylindrical nanopores: reversible smectic layer buckling, enhanced light rotation and extremely fast electro-optically active Goldstone excitations
Authors: Busch Mark , Kityk Andriy V. , Piecek Wiktor , Hofmann Tommy , Wallacher Dirk , Całus Sylwia , Kula Przemysław , Steinhart Martin , Eich Manfred , Huber Patrick
Published: November 2017

Birefringence and neutron diffraction experiments reveal an exceptional structure, phase transformation behavior and functionality in chiral mesogen/mesopore hybrids.
Coupling interconnected MoO3/WO3nanosheets with a graphene framework as a highly efficient anode for lithium-ion batteries
Authors: Wang Pengbo , Cheng Zhihua , Lv Guiqin , Qu Liangti , Zhao Yang
Published: November 2017

A rationally assembled interconnected MoO3/WO3-graphene framework as a highly efficient anode for lithium-ion batteries is fabricated through a one-step template-free strategy.
Ultra-fast aqueous polymerisation of acrylamides by high power visible light direct photoactivation RAFT polymerisation
Authors: Lewis Reece W. , Evans Richard A. , Malic Nino , Saito Kei , Cameron Neil R.
Published: November 2017

The effect of visible LED power (λmax= 402 nm, 451 nm) on kinetics and control of direct photoactivation RAFT polymerisations of acrylamide and dimethylacrylamide are investigated.
Photochemical regulation of a redox-active olefin polymerization catalyst: controlling polyethylene microstructure with visible light
Authors: Kaiser Jordan M. , Anderson W. Curtis , Long Brian K.
Published: November 2017

The utility of photoredox chemistry is expanded to include microstructural control of polyolefins.
Low-cost palladium decorated on m-aminophenol-formaldehyde-derived porous carbon spheres for the enhanced catalytic reduction of organic dyes
Authors: Veerakumar Pitchaimani , Panneer Muthuselvam I. , Thanasekaran Pounraj , Lin King-Chuen
Published: November 2017

A novel method for the synthesis of recyclable Pd@PCS catalyst was applied for the reduction of CV, EY, and SY.
Controllable synthesis 3D hierarchical structured MnO2@NiCo2O4 and its morphology-dependent activity
Authors: Sun Ming , Zhang Bentian , Cheng Gao , Yu Huijuan , Ye Fei , Zhou Junli , Yu Lin , Song Wei
Published: November 2017

The α-MnO2@NiCo2O4 hierarchical structure with the nanowire- and nanosheet-like morphology was controlled synthesized under different solvents and alkalis. The α-MnO2@NiCo2O4 heterogeneous structure exhibits a remarkably enhanced activity in the DME combustion reaction.
Nanoscale-driven structural changes and associated superparamagnetism in magnetically diluted Ni–Zn ferrites
Authors: Gawas Satu G. , Meena Sher Singh , Bhatt Pramod , Verenkar Vidhyadatta M. S.
Published: November 2017

Structural changes and nanoscale superparamagnetism in Mg substituted Ni–Zn ferrites, obtained by combustion synthesis using malic acid dihydrazide.
Electronic and structural properties of N → B-ladder boranes with high electron affinity
Authors: Grandl Markus , Sun Yu , Pammer Frank
Published: November 2017

A series of electronically and structurally diverse N → B-ladder boranes has been prepared by hydroboration.
A helium nanodroplet setup for mid and far-infrared spectroscopy using pulsed-free-electron lasers: vibrational spectra of propargyl alcohol
Authors: Mani Devendra , Fischer Theo , Schwan Raffael , Dey Arghya , Redlich Britta , Van der Meer A. F. G. , Schwaab Gerhard , Havenith Martina
Published: November 2017

Helium nanodroplets spectroscopy in combination with free electron laser. The combination is suitable for studying molecular clusters in 66–3600 cm−1 spectral range, covering the important low-frequency large amplitude intra and inter-molecular motions.
A bifunctional two dimensional TM3(HHTP)2monolayer and its variations for oxygen electrode reactions
Authors: Xiao B. B. , Liu H. Y. , Jiang X. B. , Yu Z. D. , Jiang Q.
Published: November 2017

To achieve renewable energy technologies, low-cost electrocatalysts for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) are required to replace Pt and IrO2/RuO2catalysts.
A highly sensitive electrochemical impedance immunosensor for indole-3-acetic acid and its determination in sunflowers under salt stress
Authors: Li Haiyang , Hu Ye , Li Aixue , Wang Xiaodong , Hou Peichen , Wang Cheng , Chen Ke , Zhao Chunjiang
Published: November 2017

A novel label-free electrochemical impedance immunosensor for IAA determination has been developed based on PAMAM and anti-IAA–AuNP complexes.
Ytterbium-mediated synthesis of 2,4-diarylpyrroles from α-bromo oxime ethers
Authors: Zhang Xinxin , Zheng Songlin , Zhang Songlin
Published: November 2017

A novel, one-pot single step method for the preparation of 2,4-diarylpyrroles from α-halo oxime ethers has been developed, which is mediated by ytterbium.
Synthesis of high rate capability N-doped carbon coated on lithium zinc titanate via a surfactant-assisted solid-state route
Authors: Meng Zhaohui , Wang Song , Chen Xinfeng , Wang Lijuan , Wang Fei
Published: November 2017

Ammonium oxalate as a pore-foaming agent enhances total pore volumes and Tween 80 as a surfactant helps to uniformly disperse raw materials.
Targeting protein-loaded CB[8]-mediated supramolecular nanocarriers to cells
Authors: Cavatorta Emanuela , Voskuhl Jens , Wasserberg Dorothee , Brinkmann Jenny , Huskens Jurriaan , Jonkheijm Pascal
Published: November 2017

Supramolecular amphiphilic complexes of cucurbit[8]uril (CB[8]), alkylated paraquat and RGD-modified azobenzene self-assemble into vesicles of 200 nm in diameter that, after loading with proteins, were used for cell targeting.
A novel surface cross-linked GO-based membrane with superior separation performance
Authors: Qin Zhen , Wang Lifang , Zhang Wenzheng , Pan Kai
Published: November 2017

In this study, a novel procedure of fabricating a high performance graphene oxide (GO) composite membrane with high water permeability and selectivity was developed.
Establishment of a universal and rational gene detection strategy through three-way junction-based remote transduction
Authors: Tang Yidan , Lu Baiyang , Zhu Zhentong , Li Bingling
Published: November 2017

The polymerase chain reaction and many isothermal amplifications are able to achieve super gene amplification.
Ni-catalysed regioselective 1,2-diarylation of unactivated olefins by stabilizing Heck intermediates as pyridylsilyl-coordinated transient metallacycles
Authors: Thapa Surendra , Dhungana Roshan K. , Magar Rajani Thapa , Shrestha Bijay , KC Shekhar , Giri Ramesh
Published: November 2017

Ni-catalysed diarylation of vinylpyridylsilanes with arylzinc reagents and aryl halides is reported by stabilizing Heck intermediates as pyridylsilyl-coordinated transient metallacycles.
Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E
Authors: Cheng Min-Jing , Cao Jia-Qing , Yang Xin-Yi , Zhong Li-Ping , Hu Li-Jun , Lu Xi , Hou Bao-Long , Hu Ya-Jian , Wang Ying , You Xue-Fu , Wang Lei , Ye Wen-Cai , Li Chuang-Chuang
Published: November 2017

A highly concise catalytic approach for the first asymmetric total syntheses of myrtucommuacetalones and callistrilones is reported.
Are multiple oxygen species selective in ethylene epoxidation on silver?
Authors: Carbonio Emilia A. , Rocha Tulio C. R. , Klyushin Alexander Yu. , Píš Igor , Magnano Elena , Nappini Silvia , Piccinin Simone , Knop-Gericke Axel , Schlögl Robert , Jones Travis E.
Published: November 2017

We show atomic oxygen on an unreconstructed Ag(110) surface has a O 1s binding energy ≤ 528 eV and its stable at low coverages. Our findings point to the idea of multiple selective oxygen species in ethylene epoxidation on Ag.
Potassium phosphotungstate spheres as an anode material for a solar rechargeable battery
Authors: Yan NanFu , Zhang WenHua , Cui HongMin , Feng XueJiao , Liu YueWei , Shi JinSong
Published: November 2017

Potassium phosphotungstate spheres, prepared by a simple coprecipitation method, are introduced for the first time as anode materials for a solar rechargeable battery.
Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers
Authors: Zhang Kai , Meng Dong , Müller-Plathe Florian , Kumar Sanat K.
Published: November 2017

Membrane separations of gas mixtures strive to maximize the permeability of a desired species while keeping out undesired ones.
Shear thinning in non-Brownian suspensions
Authors: Chatté Guillaume , Comtet Jean , Niguès Antoine , Bocquet Lydéric , Siria Alessandro , Ducouret Guylaine , Lequeux François , Lenoir Nicolas , Ovarlez Guillaume , Colin Annie
Published: November 2017

We study the flow of suspensions of non-Brownian particles dispersed in a Newtonian solvent.
Microwave-annealing-induced nanowetting of block copolymers in cylindrical nanopores
Authors: Chang Chun-Wei , Cheng Ming-Hsiang , Ko Hao-Wen , Chu Chien-Wei , Tu Yi-Hsuan , Chen Jiun-Tai
Published: November 2017

Block copolymers are infiltrated into cylindrical nanopores by microwave-annealing-induced wetting using porous templates.
Electronic structures and optical properties of arsenene and antimonene under strain and an electric field
Authors: Shu Huabing , Li Yunhai , Niu Xianghong , Guo JiYuan
Published: November 2017

The optical absorption spectra of hexagonal arsenene (β-As) and antimonene (β-Sb).
Flux-limited and classical viscosity solutions for regional control problems
Authors: Barles G. , Briani A. , Chasseigne E. , Imbert C.
Published: November 2017

The aim of this paper is to compare two different approaches for regional control problems: the first one is the classical approach, using a standard notion of viscosity solutions, which is developed in a series of works by the three first authors. The second one is more recent and relies on ideas introduced by Monneau and the fourth author for problems set on networks in another series of works, in particular the notion of flux-limited solutions. After describing and even revisiting these two very different points of view in the simplest possible framework, we show how the results of the classical approach can be interpreted in terms of flux-limited solutions. In particular, we give much simpler proofs of three results: the comparison principle in the class of bounded flux-limited solutions of stationary multidimensional Hamilton–Jacobi equations and the identification of the maximal and minimal Ishii’s solutions with flux-limited solutions which were already proved by Monneau and the fourth author, and the identification of the corresponding vanishing viscosity limit, already obtained by Vinh Duc Nguyen and the fourth author.
Approaches to the Synthesis of Highly Substituted Aromatic and Fused Rings: Metal-Catalysed versus Thermal Cyclisation
Authors: Parsons Philip , Allen Lewis , Jones Daniel , Padgham Alex , Pryke James , McKenna Joseph , O’Reilly Daniel
Published: November 2017

A domino reaction has been used for the construction of lactonamycin derivatives. This research led to a comparison study between palladium-mediated cascade cyclisations and thermal alkyne [2+2+2] cyclisations. A palladium-mediated cyclisation of alkenyl bromides with alkynes and furans has been shown to furnish highly substituted aromatic rings. Penta- and hexasubstituted aromatic rings have also been prepared by the thermolysis of suitably substituted alkynes under microwave conditions. Tetrasubstituted pyridines can also be prepared using nitriles instead of alkynes. This work will provide a new and interesting array of drug templates; mechanistic details are discussed for both reaction series.
Is There Any Reason Not to Perform Standard Laparoscopic Total Mesorectal Excision?
Authors: Lakkis Zaher , Panis Yves
Published: November 2017

The curative treatment of locally advanced rectal cancer is currently based on chemoradiotherapy and total mesorectal excision (TME). Laparoscopy has developed considerably because of obvious clinical benefits such as reduced pain and shorter hospital stay. Recently, several prospective randomized clinical trials with long-term follow-up have showed that laparoscopy is noninferior to laparotomy with the same oncologic outcomes in terms of survival and local control rate. However, laparoscopic TME remains a challenging procedure requiring a high level of expertise and a long learning curve to ensure an adequate and safe resection. The only relative contraindication of laparoscopic rectal surgery is T4 rectal cancer extended beyond the plane of TME. In this situation, it is reasonable to consider an open resection to avoid an uncomplete resection. In obese and elderly patients, laparoscopic TME also provides the same benefits as in nonobese and younger patients but may be more difficult to achieve. This review summarizes current knowledge on the place of laparoscopic TME in the treatment of rectal cancer.