bluuebunny/crossref_metadata_2025 huggingface dataset:
Regioselective self-acylating cyclodextrins in organic solvent
Authors: Cho Eunae , Yun Deokgyu , Jeong Daham , Im Jieun , Kim Hyunki , Dindulkar Someshwar D. , Choi Youngjin , Jung Seunho
Published: March 2016

Amphiphilic cyclodextrins have been synthesized with self-acylating reaction using vinyl esters in dimethylformamide. In the present study no base, catalyst, or enzyme was used, and the structural analyses using thin layer chromatography, nuclear magnetic resonance spectroscopy and mass spectrometry show that the cyclodextrin is substituted preferentially by one acyl moiety at the C2 position of the glucose unit, suggesting that cyclodextrin functions as a regioselective catalytic carbohydrate in organic solvent. In the self-acylation, the most acidic OH group at the 2-position and the inclusion complexing ability of cyclodextrin were considered to be significant. The substrate preference was also observed in favor of the long-chain acyl group, which could be attributed to the inclusion ability of cyclodextrin cavity. Furthermore, using the model amphiphilic building block, 2-O-mono-lauryl β-cyclodextrin, the self-organized supramolecular architecture with nano-vesicular morphology in water was investigated by fluorescence spectroscopy, dynamic light scattering and transmission electron microscopy. The cavity-type nano-assembled vesicle and the novel synthetic methods for the preparation of mono-acylated cyclodextrin should be of great interest with regard to drug/gene delivery systems, functional surfactants, and carbohydrate derivatization methods.
Super-flat supercontinuum generation from a Tm-doped fiber amplifier
Authors: Tao Mengmeng , Yu Ting , Wang Zhenbao , Chen Hongwei , Shen Yanlong , Feng Guobin , Ye Xisheng
Published: March 2016

Super-flat supercontinua are generated from a double clad Tm-doped fiber amplifier. Two different laser configurations are investigated and compared. In the direct-output configuration, the long-wavelength edge of the supercontinuum spectra is extended to beyond 2.65 μm with a 10 dB bandwidth of 740 nm. In the passive pigtail configuration, the generated supercontinuum features excellent flatness with an intensity difference smaller than 1 dB in the wide central spectral range from 1.98 μm to 2.41 μm.
Altered brain activation and functional connectivity in working memory related networks in patients with type 2 diabetes: An ICA-based analysis
Authors: Zhang Yang , Lu Shan , Liu Chunlei , Zhang Huimei , Zhou Xuanhe , Ni Changlin , Qin Wen , Zhang Quan
Published: March 2016

Type 2 diabetes mellitus (T2DM) can cause multidimensional cognitive deficits, among which working memory (WM) is usually involved at an early stage. However, the neural substrates underlying impaired WM in T2DM patients are still unclear. To clarify this issue, we utilized functional magnetic resonance imaging (fMRI) and independent component analysis to evaluate T2DM patients for alterations in brain activation and functional connectivity (FC) in WM networks and to determine their associations with cognitive and clinical variables. Twenty complication-free T2DM patients and 19 matched healthy controls (HCs) were enrolled and fMRI data were acquired during a block-designed 1-back WM task. The WM metrics of the T2DM patients showed no differences compared with those of the HCs, except for a slightly lower accuracy rate in the T2DM patients. Compared with the HCs, the T2DM patients demonstrated increased activation within their WM fronto-parietal networks and activation strength was significantly correlated with WM performance. The T2DM patients also showed decreased FC within and between their WM networks. Our results indicate that the functional integration of WM sub-networks was disrupted in the complication-free T2DM patients and that strengthened regional activity in fronto-parietal networks may compensate for the WM impairment caused by T2DM.
Nature and nurture: environmental influences on a genetic rat model of depression
Authors: Mehta-Raghavan N S , Wert S L , Morley C , Graf E N , Redei E E
Published: March 2016

In this study, we sought to learn whether adverse events such as chronic restraint stress (CRS), or ‘nurture’ in the form of environmental enrichment (EE), could modify depression-like behavior and blood biomarker transcript levels in a genetic rat model of depression. The Wistar Kyoto More Immobile (WMI) is a genetic model of depression that aided in the identification of blood transcriptomic markers, which successfully distinguished adolescent and adult subjects with major depressive disorders from their matched no-disorder controls. Here, we followed the effects of CRS and EE in adult male WMIs and their genetically similar control strain, the Wistar Kyoto Less Immobile (WLI), that does not show depression-like behavior, by measuring the levels of these transcripts in the blood and hippocampus. In WLIs, increased depression-like behavior and transcriptomic changes were present in response to CRS, but in WMIs no behavioral or additive transcriptomic changes occurred. Environmental enrichment decreased both the inherent depression-like behavior in the WMIs and the behavioral difference between WMIs and WLIs, but did not reverse basal transcript level differences between the strains. The inverse behavioral change induced by CRS and EE in the WLIs did not result in parallel inverse expression changes of the transcriptomic markers, suggesting that these behavioral responses to the environment work via separate molecular pathways. In contrast, ‘trait’ transcriptomic markers with expression differences inherent and unchanging between the strains regardless of the environment suggest that in our model, environmental and genetic etiologies of depression work through independent molecular mechanisms.
Exon-focused genome-wide association study of obsessive-compulsive disorder and shared polygenic risk with schizophrenia
Authors: Costas J , Carrera N , Alonso P , Gurriarán X , Segalàs C , Real E , López-Solà C , Mas S , Gassó P , Domènech L , Morell M , Quintela I , Lázaro L , Menchón J M , Estivill X , Carracedo Á
Published: March 2016

Common single-nucleotide polymorphisms (SNPs) account for a large proportion of the heritability of obsessive-compulsive disorder (OCD). Co-ocurrence of OCD and schizophrenia is commoner than expected based on their respective prevalences, complicating the clinical management of patients. This study addresses two main objectives: to identify particular genes associated with OCD by SNP-based and gene-based tests; and to test the existence of a polygenic risk shared with schizophrenia. The primary analysis was an exon-focused genome-wide association study of 370 OCD cases and 443 controls from Spain. A polygenic risk model based on the Psychiatric Genetics Consortium schizophrenia data set (PGC-SCZ2) was tested in our OCD data. A polygenic risk model based on our OCD data was tested on previous data of schizophrenia from our group. The most significant association at the gene-based test was found at DNM3 (P=7.9 × 10−5), a gene involved in synaptic vesicle endocytosis. The polygenic risk model from PGC-SCZ2 data was strongly associated with disease status in our OCD sample, reaching its most significant value after removal of the major histocompatibility complex region (lowest P=2.3 × 10−6, explaining 3.7% of the variance). The shared polygenic risk was confirmed in our schizophrenia data. In conclusion, DNM3 may be involved in risk to OCD. The shared polygenic risk between schizophrenia and OCD may be partially responsible for the frequent comorbidity of both disorders, explaining epidemiological data on cross-disorder risk. This common etiology may have clinical implications.
Analysis of amino acids, proteins, carbohydrates and lipids in food by capillary electromigration methods: a review
Authors: de Oliveira Marcone A. L. , Porto Brenda L. S. , de A. Bastos Carina , Sabarense Céphora M. , Vaz Fernando A. S. , Neves Leandra N. O. , Duarte Lucas M. , da S. Campos Náira , Chellini Paula R. , da Silva Paulo H. F. , de Sousa Rafael A. , Marques Rafael , Sato Renata T. , Grazul Richard. M. , Lisboa Thalles P. , de O. Mendes Thiago , Rios Valéria C.
Published: March 2016

We review the literature covering the evolution of amino acid, protein, lipid and carbohydrate analysis in food samples by electromigration techniques over the last 20 years.
Efficient bienzyme nanocomposite film for chiral recognition of l-tryptophan, l-phenylalanine and l-tyrosine
Authors: Wang Lili , Gong Wencheng , Wang Fang , Yu Zhenya , Chen Zilin
Published: March 2016

An efficient bienzyme nanocomposite film-based biosensor for l-amino acid recognition has been developed and characterized.
A green, novel and simple microprecipitation technique for separation and preconcentration of cadmium with 1-(2-thiazolylazo)-2-naphthol in food samples and determination by microsampling flame atomic absorption spectrometry
Authors: ALOthman Z. A. , Habila M. A. , Alfadul S. M. , Yilmaz E. , Soylak M.
Published: March 2016

A microprecipitation is developed by using Cd(ii)–1-(2-thiazolylazo)-2-naphthol (TAN) microprecipitate for the preconcentration of cadmium at trace levels.
Destructive interactions of dirhodium(ii) tetraacetate with β metallothionein rh1a
Authors: Wong Daisy L. , Stillman Martin J.
Published: March 2016

The four bridging acetates of dirhodium(ii) tetraacetate are removed in a stepwise manner by human-metallothionein 1a β-fragment, a reaction captured by electrospray ionization mass spectrometry.
Solvo-thermal microwave-powered two-dimensional material exfoliation
Authors: Liu Zhen , Wang Yanbin , Wang Zhengyang , Yao Yonggang , Dai Jiaqi , Das Siddhartha , Hu Liangbing
Published: March 2016

We report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent quality, large-sized, few-layered nanosheets from well-known two-dimensional materials (TDMs) such as hexagonal boron nitride (h-BN), graphite, and MoS2.
Heterocarbon nanosheets incorporating iron phthalocyanine for oxygen reduction reaction in both alkaline and acidic media
Authors: Hyun Koangyong , Ueno Tomonaga , Panomsuwan Gasidit , Li Oi Lun , Saito Nagahiro
Published: March 2016

Heterocarbon nanosheets incorporating iron phthalocyanine as electrocatalysts have been successfully synthesized by a solution plasma process using high-repetition-frequency discharges at room temperature and atmospheric pressure.
Stevia rebaudiana ethanolic extract exerts better antioxidant properties and antiproliferative effects in tumour cells than its diterpene glycoside stevioside
Authors: López Víctor , Pérez Sergio , Vinuesa Arturo , Zorzetto Christian , Abian Olga
Published: March 2016

Steviol glycosides are currently being used as natural sweeteners by the food industry and Stevia rebaudiana has long been used as a sweet plant in South America for patients suffering from diabetes.
On the role of heteroatoms in aromatic rings. Insights from 10π main group elements heterorings [(EH)2S2N4]q(E = C, P, B, Si, Al and q = 0, −2)
Authors: Papadopoulos Anastasios G. , Charistos Nickolas D. , Muñoz-Castro Alvaro
Published: March 2016

Heteroatoms with increasing electronegativity increased the aromatic behavior in a representative 10π-electron [C8H8]2−organic ring.
Rapidly-cured isosorbide-based cross-linked polycarbonate elastomers
Authors: Kristufek Tyler S. , Kristufek Samantha L. , Link Lauren A. , Weems Andrew C. , Khan Sarosh , Lim Soon-Mi , Lonnecker Alexander T. , Raymond Jeffery E. , Maitland Duncan J. , Wooley Karen L.
Published: March 2016

The natural compound, isosorbide has been functionalized and rapidly cross-linked using thiol–ene click chemistry to afford an optically-transparent, flexible elastomer.
Novel ginkgolide B derivative attenuated the function and expression of P-glycoprotein at the blood–brain barrier, presenting brain-targeting ability
Authors: Hui Ailing , Zhu Shijing , Yin Huayang , Yang Li , Zhang Zheng , Zhou An , Pan Jian , Zhang Wencheng
Published: March 2016

The effects of ginkgolide B derivative (GBD) and GB on P-glycoprotein efflux function and expression level were studied to explain GBD's brain-targeting behavior.
Optical, dielectric & ferroelectric studies on amino acids doped TGS single crystals
Authors: Deepthi P. R. , Shanthi J.
Published: March 2016

Pure TGS and amino acid (l-arginine, l-histidine and l-alanine) doped TGS crystals were grown by a slow evaporation solution growth technique at room temperature.
The synthesis and characterization of a processable polyrotaxane-based triblock copolymer via a “two steps” strategy
Authors: Yan Zhi , Guo Aiju , Ye Lin , Zhang Aiying , Feng Zengguo
Published: March 2016

“Two steps ” strategy can prepare PR copolymer with controllable CD content as well as excellent processability and mechanical property.
High-contrast mechanochromism and polymorphism-dependent fluorescence of difluoroboron β-diketonate complexes based on the effects of AIEE and halogen
Authors: Qi Yunpeng , Wang Yongtao , Yu Yongjiang , Liu Zhiyong , Zhang Yan , Du Guangfen , Qi Yu
Published: March 2016

A series of AIEE-active difluoroboron β-diketonate complexes derivatives exhibit high-contrast mechanochromism, polymorphism-dependent fluorescence, and extremely high fluorescent quantum yields which could be as promising stimuli-responsive materials.
Language aspects of engineering students' view of entropy
Authors: Haglund Jesper , Andersson Staffan , Elmgren Maja
Published: March 2016

Entropy is a central concept in thermodynamics, but has been found to be challenging to students due to its abstract nature and the fact that it is not part of students' everyday language. Interviews with three pairs of engineering students (N= 6) were conducted and video recorded regarding their interpretation and use of the entropy concept, one year after a course on chemical thermodynamics. From a syntax perspective, students were asked to assess whether different sentences involving temperature, internal energy, and entropy make sense. With a focus on semantics, they were asked to rank a set of notions with regards to how closely they are related to entropy, how scientific they are, and how useful they are for explaining what entropy is. From a pragmatics point of view, students were asked to solve two qualitative problems, which involve entropy. The results show that these chemistry students regard internal energy, but not entropy, as a substance-like entity. The students' ranking of how closely related to entropy notions are and how useful they are for explaining entropy was found to be strongly negatively correlated to how scientific the notions were seen to be. For example, disorder was seen as highly unscientific, but very useful for explaining entropy. In the problem-solving tasks, Chemical Engineering students were comfortable relating entropy to enthalpy and Gibbs free energy, the three notions being seen to form a “trinity” in thermodynamics. However, the students had challenges grasping the unchanged entropy in reversible, adiabatic expansion of an ideal gas, in which they did not consider how entropy relates to the second law of thermodynamics. In final reflections on their learning processes, the students saw weak connections between their problem-solving skills and their conceptual understanding of entropy, although acknowledging that both aspects of learning are important.
Self-catalytic membrane photo-reactor made of carbon nitride nanosheets
Authors: Zhou Kai-Ge , McManus Daryl , Prestat Eric , Zhong Xing , Shin Yuyoung , Zhang Hao-Li , Haigh Sarah J. , Casiraghi Cinzia
Published: March 2016

In this study we use a membrane photo-reactor (MPR) made of nanosheets of graphitic carbon nitride (g-C3N4), assembled by vacuum filtration, to make low-cost, efficient, easy-to-produce self-catalytic photo-reactors for water treatment under visible light.
Mesoporous Co3V2O8nanoparticles grown on reduced graphene oxide as a high-rate and long-life anode material for lithium-ion batteries
Authors: Gao Guoxin , Lu Shiyao , Dong Bitao , Xiang Yang , Xi Kai , Ding Shujiang
Published: March 2016

A hierarchical hybrid nanocomposite of reduced graphene oxide supported mesoporous Co3V2O8nanoparticles has been successfully prepared. When evaluated as a promising anode for LIBs, the nanocomposite exhibits high reversible capacity, excellent high-rate capability and super-long cycle life.
Application of biomaterials to in vitro pluripotent stem cell disease modeling of the skeletal system
Authors: Salazar-Noratto Giuliana E. , Barry Frank P. , Guldberg Robert E.
Published: March 2016

Disease-specific pluripotent stem cells can be derived through genetic manipulation of embryonic stem cells or by reprogramming somatic cells (induced pluripotent stem cells).
A red emitting fluorescent probe for instantaneous sensing of thiophenol in both aqueous medium and living cells with a large Stokes shift
Authors: Liu Xingjiang , Qi Fengpei , Su Yuanan , Chen Wenqiang , Yang Lei , Song Xiangzhi
Published: March 2016

A novel red emitting fluorescent probe for the instantaneous detection of thiophenol has been developed with a large Stokes shift. The successful application of this new probe for thiophenol detection in real water samples and living cells has been demonstrated.
An analytical method for monitoring micro-traces of landfill leachate in groundwater using fluorescence excitation–emission matrix spectroscopy
Authors: Amorello Diana , Barreca Salvatore , Gambacurta Silvia , Gulotta Maria Grazia , Orecchio Santino , Pace Andrea
Published: March 2016

In this study, we use three-dimensional excitation–emission matrix (EEM) fluorescence spectroscopy for the identification of contamination of natural water bodies by landfill leachate.
Reduced incubation time for inhibition zone formation based on diffusion and growth mechanism elucidation
Authors: Galvão Guilherme Vinícius , Saviano Alessandro Morais , Lourenço Felipe Rebello
Published: March 2016

Microbiological agar diffusion methods are widely employed for clinical, pharmacological and industrial purposes.
Rh(iii)-catalyzed relay carbenoid functionalization of aromatic C–H bonds: access to π-conjugated fused heteroarenes
Authors: Xie Ying , Chen Xun , Liu Xin , Su Shi-Jian , Li Jianzhang , Zeng Wei
Published: March 2016

A novel Rh(iii)-catalyzed relay cross-coupling cascade between arylketoimines and diazoesters is described. This transformation provides a concise access to unique π-conjugated 1-azaphenalenes (1-APLEs) via a double aryl Csp2–H bond carbenoid functionalization process.
Enantioselective tandem reaction over a site-isolated bifunctional catalyst
Authors: Xu Jianyou , Cheng Tanyu , Zhang Kun , Wang Ziyun , Liu Guohua
Published: March 2016

An active site-isolated organoruthenium-/organopalladium-functionalized yolk–shell-structured mesoporous silica is developed and its application in the one-pot enantioselective tandem Sonogashira coupling–asymmetric transfer hydrogenation of haloacetophenones and arylacetylenes to various chiral conjugated alkynols is investigated.
Iridium-catalyzed asymmetric [3+2] annulation of aromatic ketimines with alkynes via C–H activation: unexpected inversion of the enantioselectivity induced by protic acids
Authors: Nagamoto Midori , Yamauchi Daisuke , Nishimura Takahiro
Published: March 2016

The enantiodivergent synthesis of annulation products was achieved in the Ir-catalyzed asymmetric [3+2] annulation of cyclicN-acyl ketimines with internal alkynesviaC–H activation.
Isocyanide based [4+1] cycloaddition reactions: an indispensable tool in multi-component reactions (MCRs)
Authors: Kaur Tanpreet , Wadhwa Preeti , Bagchi Sourav , Sharma Anuj
Published: March 2016

The advent of cycloaddition reactions in the synthesis of heterocycles and their ever burgeoning applications in the fields of materials chemistry, catalysis and drugs have been a profound scientific development.
A high-yield synthesis of [m]biphenyl-extended pillar[n]arenes for an efficient selective inclusion of toluene and m-xylene in the solid state
Authors: Gao Bo , Tan Li-Li , Song Nan , Li Ke , Yang Ying-Wei
Published: March 2016

[m]Bp-ExPnwith a rigid and nanometer-sized cavity, as an extended version of pillar[n]arene by replacing 1,4-dimethoxybenzene monomers with biphenyl entities, was successfully designed and synthesized. Intriguingly,[m]Bp-ExPnpossesses a wide array of potential applications in the purification of petrochemicals.
Ti0 nanoparticles via lithium-naphthalenide-driven reduction
Authors: Schöttle Christian , Doronkin Dmitry E. , Popescu Radian , Gerthsen Dagmar , Grunwaldt Jan-Dierk , Feldmann Claus
Published: March 2016

Titanium nanoparticles (1.5 ± 0.4 nm) were prepared via [LiNaph]-driven reduction and characterization with regard to size, structure and reactivity.
A bifunctional chiral [2]catenane based on 1,1′-binaphthyl-phosphates
Authors: Mitra R. , Thiele M. , Octa-Smolin F. , Letzel M. C. , Niemeyer J.
Published: March 2016

A novel [2]catenane, featuring two chiral 1,1′-binaphthyl-phosphates, was synthesised by ring-closing metathesis. The resulting bifunctional catenane was used as a chiral interlocked host for the binding of dicationic guest molecules.
Dynamic disulfide metathesis induced by ultrasound
Authors: Fritze Urs F. , von Delius Max
Published: March 2016

We report that ultrasound irradiation can be used for generating clean equilibrium mixtures of disulfides within one hour or one day, depending on the sonication source. Although this reaction is somewhat limited regarding solvents and substrates, we believe that it could be a practical alternative to existing methods, particularly in scenarios where short equilibration times, base-free reaction conditions or a new vector of dynamic covalent orthogonality are needed.
Oxygen insertion into boroles as a route to 1,2-oxaborines
Authors: Yruegas Sam , Patterson Dayna C. , Martin Caleb D.
Published: March 2016

The synthesis of 1,2-oxaborines is accomplishedviathe reaction of pentaarylboroles withN-methylmorpholine-N-oxideviaa 1,1-insertion reaction.
The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal–organic frameworks bearing the rigid terphenyl tetracarboxylates ligands
Authors: Mu Bao , Li Chang-Xia , Song Ming , Ren Yan-Li , Huang Ru-Dan
Published: March 2016

Three new 3D complexes derived from the rigid terphenyl tetracarboxylates ligands with different transition metal ions have been successfully prepared. In addition, the title complexes exhibit different properties.
Current transient and in situ AFM studies of initial growth stages of electrochemically deposited nickel cobalt hydroxide nanosheet films
Authors: Nguyen Tuyen , Carmezim M. João , Montemor M. Fátima
Published: March 2016

The initial growth stages nickel cobalt hydroxide films prepared by electrodeposition for energy storage applications.
Flexible additive free H2V3O8nanowire membrane as cathode for sodium ion batteries
Authors: Wang Di , Wei Qiulong , Sheng Jinzhi , Hu Ping , Yan Mengyu , Sun Ruimin , Xu Xiaoming , An Qinyou , Mai Liqiang
Published: March 2016

A flexible additive free H2V3O8nanowire membrane is presented as a promising sodium-ion battery cathode.
Degradation behavior and biosafety studies of the mPEG–PLGA–PLL copolymer
Authors: He Zelai , Sun Ying , Cao Jun , Duan Yourong
Published: March 2016

In a previous study, a novel biodegradable multiblock copolymer, monomethoxy (poly-ethylene glycol)–poly(d,l-lactide-co-glycolide)–poly(l-lysine) (PEAL), was developed as a new drug carrier material.
Femtosecond to nanosecond excited state dynamics of vapor deposited copper phthalocyanine thin films
Authors: Caplins Benjamin W. , Mullenbach Tyler K. , Holmes Russell J. , Blank David A.
Published: March 2016

Vapor deposited thin films of copper phthalocyanine (CuPc) were investigated using transient absorption spectroscopy.
Manipulating electrochemical performance through doping beyond the solubility limit
Authors: Yatom Natav , Toroker Maytal Caspary
Published: March 2016

Improving water splitting efficiency has been the holy grail of hydrogen fuel production.
Fourth stable radical species in X-irradiated solid-state sucrose
Authors: Kusakovskij Jevgenij , Caretti Ignacio , Van Doorslaer Sabine , Callens Freddy , Vrielinck Henk
Published: March 2016

Stable radical species in X-irradiated sucrose has been studied using multi-frequency EPR, endor at Q-band and DFT calculations.
Glass transition dynamics and cooperativity length of poly(ethylene 2,5-furandicarboxylate) compared to poly(ethylene terephthalate)
Authors: Codou Amandine , Moncel Matthieu , van Berkel Jesper Gabriël , Guigo Nathanaël , Sbirrazzuoli Nicolas
Published: March 2016

The glass transition of poly(ethylene 2,5-furandicarboxylate) (PEF), an emergent bio-based polyester, was investigated in comparison to one of its chemical analogues: poly(ethylene terephthalate) (PET).
Mechanism of biphasic charge recombination and accumulation in TiO2mesoporous structured perovskite solar cells
Authors: Wang Hao-Yi , Wang Yi , Yu Man , Han Jun , Guo Zhi-Xin , Ai Xi-Cheng , Zhang Jian-Ping , Qin Yujun
Published: March 2016

The charge recombination process is dominated by perovskite or mesoporous TiO2owing to different charge populations at various energy levels.
Determination of toluene hydrogenation kinetics with neutron diffraction
Authors: Falkowska Marta , Chansai Sarayute , Manyar Haresh G. , Gladden Lynn F. , Bowron Daniel T. , Youngs Tristan G. A. , Hardacre Christopher
Published: March 2016

Total neutron scattering has been used to follow the hydrogenation of toluene-d8to methylcyclohexane-d14over 3 wt% platinum supported on highly ordered mesoporous silica (MCM-41) at 298 K and under 150–250 mbar D2pressure.
Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2 and oxiranes
Authors: Alhashmialameer Dalal , Collins Julie , Hattenhauer Karen , Kerton Francesca M.
Published: March 2016

Air-stable iron complexes display good activity for CO2-epoxide cycloadditions and reactivity trends across family are reported.
Electrolysis of trichloromethylated organic compounds under aerobic conditions catalyzed by the B12 model complex for ester and amide formation
Authors: Shimakoshi Hisashi , Luo Zhongli , Inaba Takuya , Hisaeda Yoshio
Published: March 2016

Electrolysis of trichlorinated organic compounds catalyzed by B12 model complex provided ester or amide under aerobic conditions.
Stabilization of hexa-coordinated P(v) corroles by axial silyloxy groups
Authors: Chatterjee Tamal , Lee Way-Zen , Ravikanth Mangalampalli
Published: March 2016

We report the stabilization of the hexa-coordination environment for P(v) corroles using alkyl/aryl substituted silyloxy groups as axial ligands. The P(v) corroles are highly fluorescent and highly stable under electrochemical conditions.
Composition dependence of magnetic relaxation for CoIIxNiII1−x chain-based compounds with mixed double azide–tetrazolate bridges
Authors: Cheng Min , Ding You-Song , Gao En-Qing , Zhang Zhicheng , Jia Qin-Xiang
Published: March 2016

A series of isomorphous random bimetallic compounds based on CoIIxNiII1−x (0 ≤ x ≤ 1) chains with simultaneous azide–tetrazolate bridges exhibit composition-dependent magnetic relaxation were investigated.
Exploring the electrochemical reaction mechanism of carbonate oxidation in Li–air/CO2 battery through tracing missing oxygen
Authors: Yang Sixie , He Ping , Zhou Haoshen
Published: March 2016

Superoxide radicals are generated during the electrochemical decomposition of Li2CO3. The existence of superoxide radicals will lead to the degradation of the tetraglyme electrolyte.
On the potential of phase-change adsorbents for CO2 capture by temperature swing adsorption
Authors: Hefti Max , Joss Lisa , Bjelobrk Zoran , Mazzotti Marco
Published: March 2016

We investigate the potential of a class of recently discovered metal–organic-framework materials for their use in temperature swing adsorption (TSA) processes for CO2 capture; the particularity of the considered materials is their reversible and temperature dependent step-shaped CO2 adsorption isotherm. Specifically, we present a comprehensive modeling study, where the performance of five different materials with step-shaped isotherms [McDonald et al., Nature, 2015, 519, 303] in a four step TSA cycle is assessed. The specific energy requirement of the TSA process operated with these materials is lower than for a commercial 13X zeolite, and a smaller temperature swing is required to reach similar levels of CO2 purity and recovery. The effect of a step in the adsorption isotherm is illustrated and discussed, and design criteria that lead to an optimal and robust operation of the considered TSA cycle are identified. The presented criteria could guide material scientists in designing novel materials whose step position is tailored to specific CO2 separation tasks.
Numerical analysis of Pickering emulsion stability: insights from ABMD simulations
Authors: Sicard François , Striolo Alberto
Published: March 2016

The issue of the stability of Pickering emulsions is tackled at a mesoscopic level using dissipative particle dynamics simulations within the Adiabatic Biased Molecular Dynamics framework. We consider the early stage of the coalescence process between two spherical water droplets in a decane solvent. The droplets are stabilized by Janus nanoparticles of different shapes (spherical and ellipsoidal) with different three-phase contact angles. Given a sufficiently dense layer of particles on the droplets, we show that the stabilization mechanism strongly depends on the collision speed. This is consistent with a coalescence mechanism governed by the rheology of the interfacial region. When the system is forced to coalesce sufficiently slowly, we investigate at a mesoscopic level how the ability of the nanoparticles to stabilize Pickering emulsions is discriminated by nanoparticle mobility and the associated caging effect. These properties are both related to the interparticle interaction and the hydrodynamic resistance in the liquid film between the approaching interfaces.
Energetics of base flipping at a DNA mismatch site confined at the latch constriction of α-hemolysin
Authors: Johnson Robert P. , Perera Rukshan T. , Fleming Aaron M. , Burrows Cynthia J. , White Henry S.
Published: March 2016

Unique, two-state modulating current signatures are observed when a cytosine–cytosine mismatch pair is confined at the 2.4 nm latch constriction of the α-hemolysin (αHL) nanopore. We have previously speculated that the modulation is due to base flipping at the mismatch site. Base flipping is a biologically significant mechanism in which a single base is rotated out of the DNA helical stack by 180°. It is the mechanism by which enzymes are able to access bases for repair operations without disturbing the global structure of the helix. Here, temperature dependent ion channel recordings of individual double-stranded DNA duplexes inside αHL are used to derive thermodynamic (ΔH, ΔS) and kinetic (EA) parameters for base flipping of a cytosine at an unstable cytosine–cytosine mismatch site. The measured activation energy for flipping a cytosine located at the latch of αHL out of the helix (18 ± 1 kcal mol−1) is comparable to that previously reported for base flipping at mismatch sites from NMR measurements and potential mean force calculations. We propose that the αHL nanopore is a useful tool for measuring conformational changes in dsDNA at the single molecule level.
Next generation sequencing: implications in personalized medicine and pharmacogenomics
Authors: Rabbani Bahareh , Nakaoka Hirofumi , Akhondzadeh Shahin , Tekin Mustafa , Mahdieh Nejat
Published: March 2016

A breakthrough in next generation sequencing (NGS) in the last decade provided an unprecedented opportunity to investigate genetic variations in humans and their roles in health and disease.
Synthesis and evaluation of donepezil–ferulic acid hybrids as multi-target-directed ligands against Alzheimer's disease
Authors: Xu Wei , Wang Xiao-Bing , Wang Zhi-Min , Wu Jia-Jia , Li Fan , Wang Jin , Kong Ling-Yi
Published: March 2016

A novel family of donepezil–ferulic acid hybrids were designed, synthesized and biologically evaluated as multi-target-directed ligands against Alzheimer's disease by fusing a fragment of donepezil and ferulic acid.
Zeolitic imidazole framework-67 as an efficient heterogeneous catalyst for the conversion of CO2 to cyclic carbonates
Authors: Mousavi Bibimaryam , Chaemchuen Somboon , Moosavi Behrooz , Luo Zhixiong , Gholampour Nadia , Verpoort Francis
Published: March 2016

ZIF-67 acts as a very efficient catalyst for the cycloaddition of CO2 to epoxides affording cyclic carbonates with high selectivity, without any need for a solvent or a co-catalyst.
One-step green synthesis of gold and silver nanoparticles with ascorbic acid and their versatile surface post-functionalization
Authors: Malassis Ludivine , Dreyfus Rémi , Murphy Ryan J. , Hough Lawrence A. , Donnio Bertrand , Murray Christopher B.
Published: March 2016

Gold and silver nanoparticles, with different sizes, have been synthesized using ascorbic acid which allows a versatile and simple post-functionalisation.
Carbon black hybrid material furnished monodisperse platinum nanoparticles as highly efficient and reusable electrocatalysts for formic acid electro-oxidation
Authors: Yıldız Yunus , Pamuk Handan , Karatepe Özlem , Dasdelen Zeynep , Sen Fatih
Published: March 2016

Carbon black hybrid material supported monodisperse Pt NPs/TPr have been used as a novel catalyst for formic acid electro-oxidation reduction.
Complexation and intercalation modes: a novel interaction of DNA and graphene quantum dots
Authors: Lu Liping , Guo Linqing , Wang Xiayan , Kang Tianfang , Cheng Shuiyuan
Published: March 2016

The interaction of DNA and the large planar structures of graphene quantum dots is investigated by absorption spectroscopy, gel electrophoresis, circular dichroism, and melting temperature.
An ICT-based colorimetric and ratiometric fluorescent probe for hydrogen sulfide and its application in live cell imaging
Authors: Wang Jinglu , Chen Yu , Yang Chengyu , Wei Tin , Han Yifeng , Xia Min
Published: March 2016

A new naphthalimide-based fluorescent probe for the detection of hydrogen sulfide has been reasonably designed and developed.
A novel dual-template method for synthesis of SAPO-44 zeolite
Authors: Li Hao , Xin Ying , Wang Xiao , Zhou Yuhao , Li Qian , Zhang Zhaoliang
Published: March 2016

The chabazite-like silicoaluminophosphate molecular sieve SAPO-44 was first synthesized using tetraethylenepentamine and N,N,N′,N′-tetramethyl-1,6-hexanediamine as dual-templates.
Two new mixed copper(ii)–dipeptide complexes of N,N-donor heterocycle ligands: studies on their non-covalent DNA binding, chemical nuclease, antioxidant and anticancer activities
Authors: Gan Qian , Zhang Chun-Lian , Wang Bing-Feng , Xiong Ya-Hong , Fu Yin-Lian , Mao Zong-Wan , Le Xue-Yi
Published: March 2016

Two novel mononuclear mixed ligand copper(ii)-dipeptide complexes have been synthesized. The DNA interactions of the complexes were investigated. In addition, the antioxidant and antitumor activities of the complexes were evaluated.
Enhancing low pressure CO2 adsorption of solvent-free derived mesoporous carbon by highly dispersed potassium species
Authors: Wang Baodeng , Zhang Zhongzheng , Zhu Chenming , Zhang Lina , Sun Nannan , Wei Wei , Sun Yuhan
Published: March 2016

Highly dispersed potassium species were introduced on a mesoporous carbon surface following an oxidation and subsequent ion exchange protocol.
Discovery of vascular endothelial growth factor receptor tyrosine kinase inhibitors by quantitative structure–activity relationships, molecular dynamics simulation and free energy calculation
Authors: Wang Juan , Shu Mao , Wen Xiaorong , Wang Yuanliang , Wang Yuanqiang , Hu Yong , Lin Zhihua
Published: March 2016

Employing the combined strategy to understand the features of KDR–ligands complexes, and provide a basis for rational design of inhibitors.
LED-cured self-replenishing hydrophobic coatings based on interpenetrating polymer networks (IPNs)
Authors: Karasu F. , Rocco C. , Zhang Y. , Croutxé-Barghorn C. , Allonas X. , van der Ven L. G. J. , van Benthem R. A. T. M. , Esteves A. C. C. , de With G.
Published: March 2016

LED-cured IPN-based coatings bearing hydrophobic functional groups have been developed in order to obtain hydrophobic self-replenishing surfaces with improved mechanical properties.
Direct CuO nanoparticle-catalyzed synthesis of poly-substituted furans via oxidative C–H/C–H functionalization in aqueous medium
Authors: Payra Soumen , Saha Arijit , Guchhait Sandip , Banerjee Subhash
Published: March 2016

Here, we have reported CuO nanoparticles catalyzed synthesis of poly-functionalized furan derivatives via direct functionalization of α,β-unsaturated carbonyl compounds through conjugate addition initiated domino reactions in aqueous ethanol.
High-yield synthesis of “oriented attachment” TiO2 nanorods as superior building blocks of photoanodes in quantum dot sensitized solar cells
Authors: Zhang Wenjun , Zeng Xianwei , Wang Huan , Fang Rui , Xu Yao , Zhang Yanjun , Chen Wei
Published: March 2016

In this paper, a high-yield hydrothermal synthesis of “oriented attachment” TiO2 nanorods (TiO2-NRs) and their application as a superior photoanode material in a quantum-dot (QD) sensitized solar cell have been reported.
Mesoporous xEr2O3·CoTiO3 composite oxide catalysts for low temperature dehydrogenation of ethylbenzene to styrene using CO2 as a soft oxidant
Authors: Yue Yanfeng , Zhang Li , Chen Jihua , Hensley Dale K. , Dai Sheng , Overbury Steven H.
Published: March 2016

Mesoporous xEr2O3·CoTiO3 composites tested as a new type of catalyst for the oxidative dehydrogenation of ethylbenzene to styrene.
Bisferrocenyl-functionalized pseudopeptides: access to separated ionic and electronic contributions for electrochemical anion sensing
Authors: Pandey Mrituanjay D. , Martí-Centelles Vicente , Burguete M. Isabel , Montoya Noemí , Luis Santiago V. , García-España Enrique , Doménech-Carbó Antonio
Published: March 2016

Pseudopeptidic receptors containing ferrocene fragments have been prepared and their response to a series of anions was measured by a voltammetry of microparticles methodology.
Silk-derived graphene-like carbon with high electrocatalytic activity for oxygen reduction reaction
Authors: Wang Qingfa , Yanzhang Ruoping , Wu Yaqing , Zhu Han , Zhang Junfeng , Du Mingliang , Zhang Ming , Wang Li , Zhang Xiangwen , Liang Xinhua
Published: March 2016

A facile method to prepare graphene-like carbon material from a natural silk fiber was developed by a potassium intercalation and carbonization procedure. The as-synthesized graphene-like fiber exhibited impressive oxygen reduction activity.
Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures
Authors: Zhao Yan-Xia , Li Xiao-Na , Yuan Zhen , Liu Qing-Yu , Shi Qiang , He Sheng-Gui
Published: March 2016

The complementary active sites of Au+ and O2− ions on gold-doped titanium oxide clusters activate methane under thermal collision conditions.
Well-structured bimetallic surface capable of molecular recognition for chemoselective nitroarene hydrogenation
Authors: Furukawa Shinya , Takahashi Katsuya , Komatsu Takayuki
Published: March 2016

Unprecedented molecular recognition ability governed by a simple bimetallic surface was demonstrated.
An energy-dense and thermal-stable bis-azobenzene/hybrid templated assembly for solar thermal fuel
Authors: Feng Wei , Li Shipei , Li Man , Qin Chengqun , Feng Yiyu
Published: March 2016

A bis-azobenzene/hybrid assembly combining high energy density, high power density and tunable heat release was presented.
Peptide:glycosaminoglycan hybrid hydrogels as an injectable intervention for spinal disc degeneration
Authors: Miles D. E. , Mitchell E. A. , Kapur N. , Beales P. A. , Wilcox R. K.
Published: March 2016

Peptide and glycosaminoglycan hybrid gels undergo self-assembly and result in tuneable mechanical properties with suitability for intradiscal treatments.
Chemical route derived bismuth ferrite thin films and nanomaterials
Authors: Zhang Qi , Sando Daniel , Nagarajan Valanoor
Published: March 2016

In this review we focus on chemical route-derived bismuth ferrite (BiFeO3– BFO) thin films and nanostructures. The review covers governing factors in a detailed and systematic manner so as to give readers a clear picture of the current state of the art in the development of nanostructured BFOviachemical routes.
Nanoparticles dispersed in liquid crystals: impact on conductivity, low-frequency relaxation and electro-optical performance
Authors: Urbanski Martin , Lagerwall Jan P. F.
Published: March 2016

We show how the contamination with mobile charge carriers caused by nanoparticle doping affects the dielectric response of a nematic host material and deteriorates its electro-optic performance.
Plasmonic nanopillar arrays encoded with multiplex molecular information for anti-counterfeiting applications
Authors: Liu Y. , Lee Y. H. , Zhang Q. , Cui Y. , Ling X. Y.
Published: March 2016

A progressively complex anti-counterfeiting platform with large information density, high security and low-error decoding is achieved by utilizing plasmonic nanopillar arrays fabricated using two-photon photolithography. Multiplex molecular information hidden under the same physical features are read out in the form of fluorescence, SERS, and their signal intensities.
Poly(methyl methacrylate)-grafted ZnO nanocomposites with variable dielectric constants by UV light irradiation
Authors: Hayashida Kenichi , Takatani Yasuhiro
Published: March 2016

Theεr′ of PMMA-grafted ZnO nanoparticles was greatly enhanced by irradiation of UV light owing to Maxwell–Wagner polarization of the resultant free electrons.
Organic vapor sensing behaviors of conductive thermoplastic polyurethane–graphene nanocomposites
Authors: Liu Hu , Huang Wenju , Yang Xinru , Dai Kun , Zheng Guoqiang , Liu Chuntai , Shen Changyu , Yan Xingru , Guo Jiang , Guo Zhanhu
Published: March 2016

Electrically conductive thermoplastic polyurethane–graphene nanocomposites with fast response, good discrimination ability and reproducibility were tested for organic vapor sensing.
Contributions of a unique β-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases
Authors: Gruninger Robert J. , Cote Chris , McAllister Tim A. , Abbott D. Wade
Published: March 2016

Lignocellulosic biomass is a promising renewable resource; however, deconstruction of this material is still the rate-limiting step. Major obstacles in the biocatalytic turnover of lignocellulose are ester-linked decorations that prevent access to primary structural polysaccharides. Enzymes targeting these esters represent promising biotools for increasing bioconversion efficiency. Ruminant livestock are unique in their ability to degrade lignocellulose through the action of their gut microbiome. The anaerobic fungi (phylum Neocallimastigomycota) are key members of this ecosystem that express a large repertoire of carbohydrate-active enzymes (CAZymes) with little sequence identity with characterized CAZymes [Lombard, Golaconda, Drula, Coutinho and Henrissat (2014) Nucleic Acids Res. 42, D490–D495]. We have identified a carbohydrate esterase family 1 (CE1) ferulic acid esterase (FAE) belonging to Anaeromyces mucronatus (AmCE1/Fae1a), and determined its X-ray structure in both the presence [1.55 Å (1 Å=0.1 nm)] and absence (1.60 Å) of ferulic acid. AmCE1 adopts an α/β-hydrolase fold that is structurally conserved with bacterial FAEs, and possesses a unique loop, termed the β-clamp, that encloses the ligand. Isothermal titration calorimetry reveals that substrate binding is driven by enthalpic contributions, which overcomes a large entropic penalty. A comparative analysis of AmCE1 with related enzymes has uncovered the apparent structural basis for differential FAE activities targeting cross-linking ferulic acid conjugates compared with terminal decorations. Based on comparisons to structurally characterized FAEs, we propose that the β-clamp may define the structural basis of exolytic activities in FAEs. This provides a structure-based tool for predicting exolysis and endolysis in CE1. These insights hold promise for rationally identifying enzymes tailored for bioconversion of biomass with variations in cell wall composition.
Protein oxidation and peroxidation
Authors: Davies Michael J.
Published: March 2016

Proteins are major targets for radicals and two-electron oxidants in biological systems due to their abundance and high rate constants for reaction. With highly reactive radicals damage occurs at multiple side-chain and backbone sites. Less reactive species show greater selectivity with regard to the residues targeted and their spatial location. Modification can result in increased side-chain hydrophilicity, side-chain and backbone fragmentation, aggregation via covalent cross-linking or hydrophobic interactions, protein unfolding and altered conformation, altered interactions with biological partners and modified turnover. In the presence of O2, high yields of peroxyl radicals and peroxides (protein peroxidation) are formed; the latter account for up to 70% of the initial oxidant flux. Protein peroxides can oxidize both proteins and other targets. One-electron reduction results in additional radicals and chain reactions with alcohols and carbonyls as major products; the latter are commonly used markers of protein damage. Direct oxidation of cysteine (and less commonly) methionine residues is a major reaction; this is typically faster than with H2O2, and results in altered protein activity and function. Unlike H2O2, which is rapidly removed by protective enzymes, protein peroxides are only slowly removed, and catabolism is a major fate. Although turnover of modified proteins by proteasomal and lysosomal enzymes, and other proteases (e.g. mitochondrial Lon), can be efficient, protein hydroperoxides inhibit these pathways and this may contribute to the accumulation of modified proteins in cells. Available evidence supports an association between protein oxidation and multiple human pathologies, but whether this link is causal remains to be established.
Adaptive boundary control of an axially moving belt system with high acceleration/deceleration
Authors: Zhao Zhijia , Liu Yu , He Wei , Luo Fei
Published: March 2016

In this study, an adaptive boundary control is presented for vibration suppression of an axially moving belt system. First, the infinite‐dimensional model of the belt system including the dynamics of high acceleration/deceleration and distributed disturbance is derived by utilising the extended Hamilton's principle. Subsequently, by using Lyapunov's synthesis method and an adaptive technique, an adaptive boundary control is developed to suppress the belt's vibration and compensate for the system parametric uncertainties. With the proposed control, the stability of the closed‐loop system and the uniform boundedness of all closed‐loop signals are both ensured. Besides, the S‐curve acceleration/deceleration method is adopted to plan the belt's axial speed and the disturbance observer is used to mitigate the effects of unknown boundary disturbance. Finally, the control performance of the closed‐loop system is successfully demonstrated through simulations.
Analysis of control interactions in multi‐infeed VSC HVDC connections
Authors: Bayo‐Salas Alejandro , Beerten Jef , Rimez Johan , Van Hertem Dirk
Published: March 2016

The number of voltage‐source converters connected to the power system is increasing. This has led to concerns about the impact of control interactions between converters and their influence on the system stability. Recent grid codes consider such interactions as low‐frequency disturbances between the converters and neglect network dynamics. This paper studies the control interactions and interferences in a multi‐infeed power system with two converters. The phenomenon is studied in the frequency domain by using the admittance‐based stability assessment. Harmonic stability under different network characteristics is addressed. The analysis shows that resonances in the system can lead to instabilities when appearing within the control bandwidth, thereby implying the necessity to also consider higher‐frequency dynamics.