bluuebunny/crossref_metadata_2025 huggingface dataset:
3D GRASE Pulsed Arterial Spin Labeling at Multiple Inflow Times in Patients with Long Arterial Transit Times: Comparison with Dynamic Susceptibility-Weighted Contrast-Enhanced MRI at 3 Tesla
Authors: Martin Steve Z , Madai Vince I , von Samson-Himmelstjerna Federico C , Mutke Matthias A , Bauer Miriam , Herzig Cornelius X , Hetzer Stefan , Günther Matthias , Sobesky Jan
Published: November 2014

Pulsed arterial spin labeling (PASL) at multiple inflow times (multi-TIs) is advantageous for the measurement of brain perfusion in patients with long arterial transit times (ATTs) as in steno-occlusive disease, because bolus-arrival-time can be measured and blood flow measurements can be corrected accordingly. Owing to its increased signal-to-noise ratio, a combination with a three-dimensional gradient and spin echo (GRASE) readout allows acquiring a sufficient number of multi-TIs within a clinically feasible acquisition time of 5 minutes. We compared this technique with the clinical standard dynamic susceptibility-weighted contrast-enhanced imaging—magnetic resonance imaging in patients with unilateral stenosis >70% of the internal carotid or middle cerebral artery (MCA) at 3 Tesla. We performed qualitative (assessment by three expert raters) and quantitative (region of interest (ROI)/volume of interest (VOI) based) comparisons. In 43 patients, multi-TI PASL-GRASE showed perfusion alterations with moderate accuracy in the qualitative analysis. Quantitatively, moderate correlation coefficients were found for the MCA territory (ROI based: r=0.52, VOI based: r=0.48). In the anterior cerebral artery (ACA) territory, a readout related right-sided susceptibility artifact impaired correlation (ROI based: r=0.29, VOI based: r=0.34). Arterial transit delay artifacts were found only in 12% of patients. In conclusion, multi-TI PASL-GRASE can correct for arterial transit delay in patients with long ATTs. These results are promising for the transfer of ASL to the clinical practice.
The immune synapse clears and excludes molecules above a size threshold
Authors: Cartwright Adam N. R. , Griggs Jeremy , Davis Daniel M.
Published: November 2014

Natural killer cells assess target cell health via interactions at the immune synapse (IS) that facilitates signal integration and directed secretion. Here we test whether the IS also functions as a gasket. Quantitative fluorescence microscopy of nanometer-scale dextrans within synapses formed by various effector-target cell conjugates reveal that molecules are excluded in a size-dependent manner at activating synapses. Dextran sized ≤4 nm move in and out of the IS, but access is significantly reduced (by >50%) for dextran sized 10–13 nm, and dextran ≥32 nm is almost entirely excluded. Depolymerization of F-actin abrogated exclusion. Unexpectedly, larger-sized dextrans are cleared as the IS assembles in a zipper-like manner. Monoclonal antibodies are also excluded from the IS but smaller single-domain antibodies are able to penetrate. Therefore, the IS can clear and exclude molecules above a size threshold, and drugs designed to target synaptic cytokines or cytotoxic proteins must fit these dimensions.
Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling
Authors: Zhou Miao , Ming Wenmei , Liu Zheng , Wang Zhengfei , Yao Yugui , Liu Feng
Published: November 2014

For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a unique approach to create the large-gap 2D TI state on a semiconductor surface, based on first-principles calculations and effective Hamiltonian analysis. We show that when heavy elements with strong spin orbit coupling (SOC) such as Bi and Pb atoms are deposited on a patterned H-Si(111) surface into a hexagonal lattice, they exhibit a 2D TI state with a large energy gap of ≥0.5 eV. The TI state arises from an intriguing substrate orbital filtering effect that selects a suitable orbital composition around the Fermi level, so that the system can be matched onto a four-band effective model Hamiltonian. Furthermore, it is found that within this model, the SOC gap does not increase monotonically with the increasing strength of SOC. These interesting results may shed new light in future design and fabrication of large-gap topological quantum states.
Microfluidics for Medical Applications
Authors:   Royal Society of Chemistry
Published: November 2014

Lab-on-a-chip devices for point of care diagnostics have been present in clinics for several years now. Alongside their continual development, research is underway to bring the organs and tissue on-a-chip to the patient, amongst other medical applications of microfluidics.

This book provides the reader with a comprehensive review of the latest developments in the application of microfluidics to medicine and is divided into three main sections. The first part of the book discusses the state-of-the-art in organs and tissue on a chip; the second provides a thorough background to microfluidics for medicine, and the third (and largest) section provides numerous examples of point-of-care diagnostics.

Written with students and practitioners in mind, and with contributions from the leaders in the field across the globe, this book provides a complete digest of the state-of-the-art in microfluidics medical devices and will provide a handy resource for any laboratory or clinic involved in the development or application of such devices.
Microbubbles for Medical Applications
Authors: Segers Tim , de Jong Nico , Lohse Detlef , Versluis Michel
Published: November 2014

Ultrasound contrast agent (UCA) suspensions contain encapsulated microbubbles with radii ranging from 1 to 10 micrometers. The bubbles oscillate to the driving ultrasound pulse generating harmonics of the driving ultrasound frequency. This feature allows for the discrimination of non-linear bubble echoes from linear tissue echoes facilitating the visualization and quantification of blood perfusion in organs. Targeting the microbubbles to specific receptors in the body has led to molecular imaging application with ultrasound and targeted drug delivery with drug-loaded microbubbles. Traditional UCA production methods offer high yield but poor control over the microbubble size and uniformity. Medical ultrasound transducers typically operate at a single frequency, therefore only a small selection of bubbles resonates to the driving ultrasound pulse. Here we discuss recent lab-on-a-chip based production and sorting methods that have been shown to produce highly monodisperse bubbles, thereby improving the sensitivity of contrast-enhanced ultrasound imaging and molecular imaging with microbubbles. Moreover, monodisperse UCA show great potential for targeted drug delivery by the well-controlled bubble response.
Sorption of hydrophilic dyes on anodic aluminium oxide films and application to pH sensing
Authors: Silina Yuliya E. , Kuchmenko Tatyana A. , Volmer Dietrich A.
Published: November 2014

The sorption of selected hydrophilic pH-sensitive dyes (bromophenol blue, bromothymol blue, bromocresol purple, alizarin red, methyl orange, congo red, rhodamine 6G) on films of anodized aluminium oxide (AAO) was investigated in this study.
Monitoring of the crystallization of zeolite LTA using Raman and chemometric tools
Authors: Chaves T. F. , Soares F. L. F. , Cardoso D. , Carneiro R. L.
Published: November 2014

The synthesis of zeolite LTA was monitored using Raman spectroscopy. The PCA shows 3 stages of the reaction: amorphous reactants, the nucleation process and crystallization.
Novel integrated and portable endotoxin detection system based on an electrochemical biosensor
Authors: Zuzuarregui Ana , Souto David , Pérez-Lorenzo Eva , Arizti Fernando , Sánchez-Gómez Susana , Martínez de Tejada Guillermo , Brandenburg Klaus , Arana Sergio , Mujika Maite
Published: November 2014

This paper describes the design, implementation and validation of a sensitive and integral technology solution for endotoxin detection.
Antibody mimetic receptor proteins for label-free biosensors
Authors: Raina M. , Sharma R. , Deacon S. E. , Tiede C. , Tomlinson D. , Davies A. G. , McPherson M. J. , Wälti C.
Published: November 2014

Small synthetic antibody mimetic receptor proteins which offer high stability, specificity and affinity are presented as capture molecules in solid-state electro-chemical biosensors.
Probing the secondary structure of bovine serum albumin during heat-induced denaturation using mid-infrared fiberoptic sensors
Authors: Lu Rui , Li Wen-Wei , Katzir Abraham , Raichlin Yosef , Yu Han-Qing , Mizaikoff Boris
Published: November 2014

Planar silver halide fiberoptic sensors were used for the first time for studying the mechanism of heating induced bovine serum albumin (BSA) denaturation by deconvoluted infrared attenuated total reflection (IR-ATR) spectra, and two-dimensional correlation spectroscopy (2D-CoS).
Relative quantification of amine-containing metabolites using isobaric N,N-dimethyl leucine (DiLeu) reagents via LC-ESI-MS/MS and CE-ESI-MS/MS
Authors: Hao Ling , Zhong Xuefei , Greer Tyler , Ye Hui , Li Lingjun
Published: November 2014

The first demonstration of using 4-plex isobaric N,N-dimethyl leucine (DiLeu) reagents for the relative quantification of primary and secondary amine-containing metabolites.
Precise quantitative addition of multiple reagents into droplets in sequence using glass fiber-induced droplet coalescence
Authors: Li Chunyu , Xu Jian , Ma Bo
Published: November 2014

Serial addition of reagents with controlled volumes is performed using a glass fiber-induced droplet coalescence method without the requirement for an external power source.
Enzymatic-reaction induced production of polydopamine nanoparticles for sensitive and visual sensing of urea
Authors: Li Nan , Wang Hai-Bo , Thia Larissa , Wang Jing-Yuan , Wang Xin
Published: November 2014

A novel method to use the enzymatically driven polymerization of dopamine for urea biosensing through spectroscopic or particle size analysis is developed.
An electrochemical impedimetric sensor based on biomimetic electrospun nanofibers for formaldehyde
Authors: Dai Hong , Gong Lingshan , Xu Guifang , Li Xiuhua , Zhang Shupei , Lin Yanyu , Zeng Baoshan , Yang Caiping , Chen Guonan
Published: November 2014

Herein, simple molecular recognition sites for formaldehyde were designed on electrospun polymer nanofibers.
Evaluation of dispersive and cartridge SPE clean-up procedures using the modified QuEChERS method for the analysis of pesticides in strawberries
Authors: Oshita Daniele , Jardim Isabel C. S. F.
Published: November 2014

This manuscript describes a detailed evaluation of the different procedures of the modified QuEChERS method for pesticide residues in strawberries using UHPLC-DAD.
Simultaneous determination of 16 fluoroquinolone antibiotics in cosmetics by ultra-performance liquid chromatography/triple quadrupole mass spectrometry with ultrasound-assisted extraction and solid-phase extraction
Authors: Meng Xianshuang , Ma Qiang , Zhang Qing , Lv Qing , Bai Hua , Wang Chao , Li Wentao
Published: November 2014

A comprehensive method was developed for the simultaneous determination of 16 fluoroquinolone antibiotics in cosmetics by using UAE, SPE and UPLC-MS/MS.
Determination of arsenic by ICP-MS after retention on thoria nanoparticles
Authors: Pereira F. J. , Vázquez M. D. , Debán L. , Aller A. J.
Published: November 2014

Cysteine-capped thoria nanoparticles resulted to be an excellent material for retention of arsenite and arsenate from aqueous solutions.
Simultaneous determination and pharmacokinetic study of P-hydroxybenzaldehyde, 2,3,5,4′-tetrahydroxystilbene-2-O-β-glucoside, emodin-8-O-β-d-glucopyranoside, and emodin in rat plasma by liquid chromatography tandem mass spectrometry after oral administration of Polygonum multiflorum
Authors: Lin Longfei , Ni Boran , Lin Hongmei , Cao Sali , Yang Chunjing , Zhao Yang , Xue Dan , Ni Jian
Published: November 2014

An LC-MS/MS method was developed for the analysis ofPolygonum multiflorumchemicals in rat plasma.
A facile fluorescent probe based on anthraldehyde for trace Fe(iii) ion determination in neutral aqueous solution
Authors: Huang Dawei , Gao Zhuping , Yi Hao , Bing Yongxin , Niu Chenggang , Guo Qingwei , Lai Cui
Published: November 2014

A flexible fluorescent probe was synthesized for the determination of Fe(iii) in aqueous solution by conjugating 4-aminoacetophenone into 9-anthraldehyde.
Determination of hindered phenolic antioxidants in plastic packaging injections by magnetic solid phase extraction followed by high performance liquid chromatography
Authors: Liao Wenlong , Chen Anyi , Yang Yaling
Published: November 2014

A simple and effective method based on magnetic solid-phase extraction combined with high performance liquid chromatography was used for the determination of hindered phenolic antioxidants in plastic packaging injections.
Simultaneous separation and sensitive detection of four β2-agonists in biological specimens by CE-UV using a field-enhanced sample injection method
Authors: Chen Cheng , Meng Lingchen , Li Meixian , Zhu Zhiwei
Published: November 2014

A rapid, sensitive and cost-effective CE-UV method has been developed for the simultaneous separation and sensitive determination of four beta2-agonists.
Epitaxial growth of few-layer MoS2(0001) on FeS2{100}
Authors: Liu T. , Temprano I. , King D. A. , Driver S. M. , Jenkins S. J.
Published: November 2014

Depositing Mo on FeS2{100} surfaces and heating to 600 K leads to epitaxial growth of few-layer MoS2(0001) films.
Efficient photovoltaic and electroluminescent perovskite devices
Authors: Gil-Escrig Lidón , Longo Giulia , Pertegás Antonio , Roldán-Carmona Cristina , Soriano A. , Sessolo Michele , Bolink Henk J.
Published: November 2014

Planar diode structures employing hybrid organic–inorganic methylammonium lead iodide perovskites lead to multifunctional devices exhibiting both a high photovoltaic efficiency and good electroluminescence.
Triplet–triplet annihilation upconversion from rationally designed polymeric emitters with tunable inter-chromophore distances
Authors: Yu Xinjun , Cao Xian , Chen Xiaoping , Ayres Neil , Zhang Peng
Published: November 2014

We report a thorough investigation of triplet–triplet annihilation upconversion based on polymeric emitters with tunable inter-chromophore distances.
Ultraviolet and blue emitting graphene quantum dots synthesized from carbon nano-onions and their comparison for metal ion sensing
Authors: Liu Yiyang , Kim Doo Young
Published: November 2014

UV- and blue-emitting graphene quantum dots (GQDs) were synthesized from carbon nano-onions and compared for metal ion sensing.
Azeotropic distillation assisted fabrication of silver nanocages and their catalytic property for reduction of 4-nitrophenol
Authors: Min Jianzhong , Wang Fei , Cai Yunliang , Liang Shuai , Zhang Zhenwei , Jiang Xingmao
Published: November 2014

Silver nanocages (AgNCs) with specific interiors were successfully synthesized by an azeotropic distillation (AD) assisted method, which exhibited excellent catalytic activities for reduction of 4-nitrophenol (4-NP) into 4-aminophenol (4-AP).
Metal-free oxidative C(sp3)–H bond functionalization of alkanes and alkylation-initiated radical 1,2-aryl migration in α,α-diaryl allylic alcohols
Authors: Zhao Jincan , Fang Hong , Song Ruichun , Zhou Jie , Han Jianlin , Pan Yi
Published: November 2014

A C(sp3)–H bond functionalization of alkanes and 1,2-aryl migration of allylic alcohols was reported with up to 93% yields.
Application of a nucleophilic boryl complex in the frustrated Lewis pair: activation of H–H, B–H and CC bonds with B(C6F5)3 and boryl–borate lithium
Authors: Zheng Junhao , Wang Yuwen , Li Zhen Hua , Wang Huadong
Published: November 2014

The frustrated Lewis pair (FLP) comprised of boryl–borate lithium [pinBB(Ph)pin]Li and B(C6F5)3 can efficiently activate H2, HBpin and C2H4.
Reversible catalysis for the reaction between methyl orange and NaBH4 by silver nanoparticles
Authors: Zheng Li-Qing , Yu Xiao-Dong , Xu Jing-Juan , Chen Hong-Yuan
Published: November 2014

Reversible catalysis for the reaction between MO and NaBH4 by Ag NPs was discovered for the first time.
l-Cysteine induced hemin/G-quadruplex concatemers electrocatalytic amplification with Pt–Pd supported on fullerene as a nanocarrier for sensing the spore wall protein of Nosema bombycis
Authors: Wang Qin , Song Yue , Xie Hua , Chai Yaqin , Yuan Yali , Yuan Ruo
Published: November 2014

This work described an amplified immunosensor for sensing spore wall protein (SWP) ofN. bombycisbased on a novel electrocatalytic function of C60@Pt–Pd loaded with hemin/G-quadruplex.
The dual role of micelles as templates and reducing agents for the fabrication of catalytically active hollow silver nanospheres
Authors: Sasidharan Manickam , Senthil Chenrayan , Kumari Vandana , Bhaumik Asim
Published: November 2014

A simple and efficient protocol for fabrication of colloidal hollow Ag nanospheres of size less than 30 nm using a triblock copolymer in the absence of any reducing agent is reported, which showed excellent catalytic activity in the Baeyer–Villiger oxidation reaction.
Formation of polyphenyl chains through hierarchical reactions: Ullmann coupling followed by cross-dehydrogenative coupling
Authors: Zhang Chi , Sun Qiang , Chen Hua , Tan Qinggang , Xu Wei
Published: November 2014

From an interplay of UHV-STM imaging and DFT calculations, we have illustrated on-surface formation of polyphenyl chains through a hierarchical reaction pathway involving two different kinds of reactions (Ullmann coupling and cross-dehydrogenative coupling).
Supramolecular assembly-induced enhanced emission of electrospun nanofibers
Authors: Cheng Chih-Chia , Wang Yeh-Sheng , Chang Feng-Chih , Lee Duu-Jong , Yang Li-Chih , Chen Jem-Kun
Published: November 2014

A new nucleobase-containing conjugated nanofiber is able to form physical cross-linked structures, resulting in high photoluminescence efficiency in thin film and fiber states.
In situ helicity inversion of self-assembled nano-helices
Authors: Tamoto Rumi , Daugey Nicolas , Buffeteau Thierry , Kauffmann Brice , Takafuji Makoto , Ihara Hirotaka , Oda Reiko
Published: November 2014

The handedness of nanometrical self-assembled helices was inverted when these helices were in contact with an excess solution of chiral anions with opposite enantiomers. An important difference in the kinetics of chirality inversion at the molecular level and mesoscopic level was observed.
Preparation of reduced graphite oxide with high volumetric capacitance in supercapacitors
Authors: Li Yueming , Zhao Dan
Published: November 2014

Reduced graphite oxide with a high apparent density prepared via a novel precipitation-assisted method shows excellent electrochemical performance in supercapacitors.
Direct synthesis of ordered imidazolyl-functionalized mesoporous polymers for efficient chemical fixation of CO2
Authors: Zhang Wei , Liu Tingying , Wu Haihong , Wu Peng , He Mingyuan
Published: November 2014

Synthesis of imidazolyl-functionalized ordered mesoporous polymers (IM-MPs) and their application as efficient heterogeneous catalysts for the cycloaddition of CO2 to epoxides.
Combining in-cell NMR and X-ray fluorescence microscopy to reveal the intracellular maturation states of human superoxide dismutase 1
Authors: Luchinat E. , Gianoncelli A. , Mello T. , Galli A. , Banci L.
Published: November 2014

Combined in-cell NMR spectroscopy, X-ray fluorescence and optical fluorescence microscopies allow describing the intracellular maturation states of human SOD1.
Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel
Authors: Pan Chun-Yang , Zhong Li-Juan , Zhao Feng-Hua , Yang Hong-Mei , Zhou Jian
Published: November 2014

A zinc borate Zn(1,3-DAP)[B4O7] (1) was prepared. 1 possessed a rare chiral zeolitic framework based on a [B4O9] cluster. The combination of a [B4O9] cluster and Zn(1,3-DAP)O3 chain produced a helical ribbon motif and gave rise to a single-stranded helical channel.
Rh(iii)-catalyzed oxidative C–H bond arylation with hydroquinones: sustainable synthesis of dibenzo[b,d]pyran-6-ones and benzo[d]naphtho[1,2-b]pyran-6-ones
Authors: Yang Wei , Wang Shan , Zhang Qian , Liu Qun , Xu Xianxiu
Published: November 2014

An efficient Rh(iii)-catalyzed C–H bond arylation with phenol derivatives was developed for the direct and sustainable synthesis of dibenzo[b,d]pyran-6-ones and benzo[d]naphtho[1,2-b]pyran-6-ones.
A thermostable transketolase evolved for aliphatic aldehyde acceptors
Authors: Yi Dong , Saravanan Thangavelu , Devamani Titu , Charmantray Franck , Hecquet Laurence , Fessner Wolf-Dieter
Published: November 2014

Directed evolution of a thermostable transketolase yields catalysts with significant improvement in activity, enantioselectivity and substrate scope.
Nanocrystal formation and polymorphism of glycine
Authors: Yang Xiaochuan , Myerson Allan S.
Published: November 2014

We obtained α-/β-glycine nanocrystals, examined their surface structures and found the solubility ratio of β-form/α-form changes as size decreases.
A new method to realize high-throughput protein crystallization in a superconducting magnet
Authors: Huang Lin-Jun , Cao Hui-Ling , Ye Ya-Jing , Liu Yong-Ming , Zhang Chen-Yan , Lu Qin-Qin , Hou Hai , Shang Peng , Yin Da-Chuan
Published: November 2014

We present a new method for the realization of high-throughput protein crystallization screening using an array of 96 capillaries aligned in a circle. In this method, each capillary represents a single crystallization condition, and all capillaries experience an identical magnetic field condition.
Synthesis, structure determination, and formation of a theobromine : oxalic acid 2 : 1 cocrystal
Authors: Fischer Franziska , Scholz Gudrun , Batzdorf Lisa , Wilke Manuel , Emmerling Franziska
Published: November 2014

The structure and the formation pathway of a new theobromine : oxalic acid (2 : 1) cocrystal are presented.
The effect of the functionalization and molecular weight of cationic dextran polyelectrolytes on their electrochemical behavior at the water/1,2-dichloroethane interface
Authors: Riva Julieta S. , Yudi Lidia M.
Published: November 2014

The functionalization and molecular weight of cationic dextran polyelectrolytes have an impact on their adsorption and electrochemical behavior at the water/1,2-dichloroethane interface.
Complex behaviour of vacancy point-defects in SrRuO3 thin films
Authors: Schraknepper Henning , Bäumer Christoph , Dittmann Regina , De Souza Roger A.
Published: November 2014

Metastable point-defect concentrations on both anion and cation sublattices give rise to complex time-dependent diffusion behaviour and compositional and morphological changes in thin-film SrRuO3.
Adsorption of metal adatoms on single-layer phosphorene
Authors: Kulish Vadym V. , Malyi Oleksandr I. , Persson Clas , Wu Ping
Published: November 2014

We present a first-principles study on the surface reactivity of single-layer phosphorene.
A new working mode for molecular springs: water intrusion induced by cooling and associated isobaric heat capacity change of a {ZIF-8 + water} system
Authors: Grosu Ya. , Eroshenko V. , Nedelec J. M. , Grolier J. P. E.
Published: November 2014

Hydrophobic microporous metal–organic framework ZIF-8 combined with water forms a molecular spring (MS), which by the forced intrusion of water into the pores and its spontaneous extrusion can store and restore large amounts of mechanical and thermal energy.
Modelling analysis of the structure and porosity of covalent triazine-based frameworks
Authors: Reece Christian , Willock David J. , Trewin Abbie
Published: November 2014

We assess structure directing effects and potential origins of structural order and formulate basic rules relating building block structure to porosity properties.
A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline
Authors: Zhao Jinfeng , Chen Junsheng , Cui Yanling , Wang Jing , Xia Lixin , Dai Yumei , Song Peng , Ma Fengcai
Published: November 2014

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid (ACID) were investigated.
Acetone and the precursor ligand acetylacetone: distinctly different electron beam induced decomposition?
Authors: Warneke Jonas , Van Dorp Willem F. , Rudolf Petra , Stano Michal , Papp Peter , Matejčík Štefan , Borrmann Tobias , Swiderek Petra
Published: November 2014

The electron-induced reactions of acetylacetone and acetone reveal why organic material is retained in electron beam induced deposition from acetylacetonate precursors.
Enhanced electrochromic properties of a polypyrrole–indigo carmine–gold nanoparticles nanocomposite
Authors: Loguercio L. F. , Alves C. C. , Thesing A. , Ferreira J.
Published: November 2014

Enhanced electrochromic properties of a PPy–IC–Aunanop nanocomposite obtained by the one-step growth of gold nanoparticles and electropolymerization of indigo carmine doped polypyrrole.
Michaelis–Menten kinetics under non-isothermal conditions
Authors: Lervik Anders , Kjelstrup Signe , Qian Hong
Published: November 2014

We extend the celebrated Michaelis–Menten kinetics description of an enzymatic reaction taking into consideration the presence of a thermal driving force.
Terbium-doped gadolinium oxide nanoparticles prepared by laser ablation in liquid for use as a fluorescence and magnetic resonance imaging dual-modal contrast agent
Authors: Chen Fei , Chen Min , Yang Chuan , Liu Jun , Luo Ningqi , Yang Guowei , Chen Dihu , Li Li
Published: November 2014

Gd2O3:Tb is a promising candidate for use as a dual-modal contrast agent combining fluorescence imaging with MR imaging.
Observation of nondispersing classical-like molecular rotation
Authors: Korobenko Aleksey , Hepburn John W. , Milner Valery
Published: November 2014

Using the technique of an optical centrifuge, we produce rotational wave packets which evolve in time along either classical-like or non-classical trajectories.
Concentration effects on intrachain polaron recombination in conjugated polymers
Authors: Ribeiro Junior Luiz Antonio , da Cunha Wiliam Ferreira , de Almeida Fonseca Antonio Luciano , Gargano Ricardo , e Silva Geraldo Magela
Published: November 2014

The influence of different charge carrier concentrations on the recombination dynamics between oppositely charged polarons is numerically investigated using a modified version of the Su–Schrieffer–Heeger (SSH) model that includes an external electric field and electron–electron interactions.
Operable persistent photoconductivity of Bi2S3 nested nano-networks
Authors: Tian Ye , Guo Chuan Fei , Zhang Jianming , Liu Qian
Published: November 2014

Persistent photoconductivity of topotactic transformed Bi2S3 nested nano-networks is repeatedly operated by both thermal and surface chemical approaches in this work. Such operable persistent photoconductivity stems from the release of photo-stimulated carriers captured by deep level traps, and its repeatability is ensured by the excellent stability of the Bi2S3 nested nano-network.
Near-band-edge exciton polarization change in ZnO nanowires
Authors: Zeng Zaiping , Petoni Alexia , Garoufalis Christos S. , Baskoutas Sotirios , Bester Gabriel
Published: November 2014

Exciton polarization change in ultrathin ZnO nanowires.
Photodesorption of water from rutile(110): ab initio calculation of five-dimensional potential energy surfaces of ground and excited electronic states and wave packet studies
Authors: Mitschker Jan , Klüner Thorsten
Published: November 2014

Based on five-dimensional potential energy surfaces for ground and excited states, quantum dynamical studies on the water–rutile system are performed.
Entropy-controlled biradical–quinoid isomerization of a π-conjugated delocalized biradical
Authors: Mutoh Katsuya , Nakagawa Yuki , Hatano Sayaka , Kobayashi Yoichi , Abe Jiro
Published: November 2014

The valence isomerization from the photogenerated biradical to the quinoid species is observed for the photochromic dimer of imidazolyl radicals.
On the nature of hydrogen bonds to platinum(ii) – which interaction can predict their strength?
Authors: Sánchez-de-Armas Rocío , Ahlquist Mårten S. G.
Published: November 2014

A theoretical analysis of the interaction between hydrogen bond donors and platinum.
Towards biochemically relevant QM computations on nucleic acids: controlled electronic structure geometry optimization of nucleic acid structural motifs using penalty restraint functions
Authors: Kruse Holger , Šponer Jiří
Published: November 2014

Flexible biomolecular structures can be optimized by quantum mechanical methods in a highly controllable manner using penalty function restraints to prevent non-native conformations.
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design
Authors: Abghoui Younes , Garden Anna L. , Hlynsson Valtýr Freyr , Björgvinsdóttir Snædís , Ólafsdóttir Hrefna , Skúlason Egill
Published: November 2014

Investigation of transition metal nitrides reveals extremely promising electrocatalysts for high-yield ammonia production in aqueous electrolytes under ambient conditions.
An approach to classification and capacitance expressions in electrochemical capacitors technology
Authors: Roldán Silvia , Barreda Daniel , Granda Marcos , Menéndez Rosa , Santamaría Ricardo , Blanco Clara
Published: November 2014

The proliferation of novel types and designs of electrochemical capacitors makes it necessary to obtain a better understanding of the behavior of these systems together with a more systematic classification of them.
Structural band-gap tuning in g-C3N4
Authors: Zuluaga Sebastian , Liu Li-Hong , Shafiq Natis , Rupich Sara M. , Veyan Jean-François , Chabal Yves J. , Thonhauser Timo
Published: November 2014

Experimental and theoretical results uncover an almost perfectly linear relationship between the band gap and structural aspects of g-C3N4, allowing the tuning of the frequency at which g-C3N4 absorbs light.
Fluorescence and room temperature activity of Y2O3:(Eu3+,Au3+)/palygorskite nanocomposite
Authors: He Xi , Yang Huaming
Published: November 2014

Palygorskite supported Y2O3:(Eu3+,Au3+) nanocomposites show simultaneous fluorescence and catalytic activities.
Naked-eye detection and thermochromic properties of Cu(ii)-3,3′-thiodipropionate complexes with benzimidazole
Authors: Arıcı Mürsel , Yeşilel Okan Zafer , Taş Murat
Published: November 2014

Two novel coordination complexes were synthesized and characterized. Solvent sensing and their thermochromic properties were studied. Complex 1 can be used as a naked-eye sensor for methanol. Complex 2 may be used as a DMF sensor. The thermochromic behaviors of complexes 1 and 2 were investigated.
Cyclometallated platinum(ii) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies
Authors: Zheng Feng , Hutton Alan T. , van Sittert Cornelia G. C. E. , Gerber Wilhelmus J. , Mapolie Selwyn F.
Published: November 2014

Cyclometallated platinum(ii) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines were synthesised, structurally characterized and their reactivity studied.
Four-coordinate Co(ii) and Fe(ii) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties
Authors: Liu Yuan-Zhong , Wang Jing , Zhao Yue , Chen Lei , Chen Xue-Tai , Xue Zi-Ling
Published: November 2014

Both square planar and tetrahedral isomers of the four-coordinate Co(ii) complex with a bis(N-heterocyclic carbene)borate ligand were isolated while only a tetrahedral configuration was found for the Fe(ii) analogue.
Dynamic magnetism of an iron(ii)-chlorido spin chain and its hexametallic segment
Authors: Qin Lei , Zhang Zhong , Zheng Zhiping , Speldrich Manfred , Kögerler Paul , Xue Wei , Wang Bao-Ying , Chen Xiao-Ming , Zheng Yan-Zhen
Published: November 2014

Two iron(ii) compounds with finite and infinite zigzag-shaped –[FeII–(μ-Cl)2]n– (n= 6 or ∞) chains have been prepared. A magnetic study shows chain-length dependent magnetic dynamics.
A new class of luminescent Cu(i) complexes with tripodal ligands – TADF emitters for the yellow to red color range
Authors: Gneuß Timo , Leitl Markus J. , Finger Lars H. , Rau Nicholas , Yersin Hartmut , Sundermeyer Jörg
Published: November 2014

A new class of emissive and neutral Cu(i) compounds with tripodal ligands is presented. The complexes were characterized chemically, computationally, and photophysically.
Binding of copper(ii) polypyridyl complexes to DNA and consequences for DNA-based asymmetric catalysis
Authors: Draksharapu Apparao , Boersma Arnold J. , Leising Miriam , Meetsma Auke , Browne Wesley R. , Roelfes Gerard
Published: November 2014

Insight into the structure of DNA-based catalysts is obtained by elucidation of the DNA-binding mode of catalytically active copper complexes.
4-(4-Carboxyphenoxy)phthalate-based coordination polymers and their application in sensing nitrobenzene
Authors: Wang Yan-Ning , Zhang Ping , Yu Jie-Hui , Xu Ji-Qing
Published: November 2014

Structural characterization of 4-(4-carboxyphenoxy)phthalate-based Cd2+ and Mn2+ coordination polymers are reported, and Cd2+ coordination polymer can serve as probe to sense nitrobenzene.
Highly efficient electrochemiluminescence from iridium(iii) complexes with 2-phenylquinoline ligand
Authors: Zhou Yuyang , Li Wanfei , Yu Linpo , Liu Yang , Wang Xiaomei , Zhou Ming
Published: November 2014

Bis-(methylated 2-phenylquinoline) iridium(iii) complexes demonstrated the strongest ECL.
Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents
Authors: Ewing S. J. , Vaqueiro P.
Published: November 2014

The use of bicyclic amines as structure-directing agents has resulted in the preparation of materials containing complex indium selenide ribbons (1–3), which can be linked into three-dimensional structures by unusual sodium complexes (4). Decomposition of the structure-directing agent leads to the formation of the dense three-dimensional framework found in5.
Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane
Authors: Santoro Amedeo , Sambiagio Carlo , McGowan Patrick C. , Halcrow Malcolm A.
Published: November 2014

The complexes [ML2]n+(Mn+= Fe2+, Co2+, Co3+, Cu2+and Ag+), [PdCl2L] and [CuI(L)] are described. [AgL2]+is an unusual square planar silver(i) centre (left). Exposure of [CuI(L)] to air affords mono- or dinuclear copper(ii)/carbonato products. Two of the copper complexes form crystalline hydrates with complicated hydrogen bond networks (right).
Adsorption of uranyl on hydroxylated α-SiO2(001): a first-principle study
Authors: Wang Hui , Chai Zhifang , Wang Dongqi
Published: November 2014

The effects of pH, CO2, aqua solution and anionic ligands on the adsorption of uranyl on α-SiO2(001) were investigated.
High performing smart electrochromic device based on honeycomb nanostructured h-WO3 thin films: hydrothermal assisted synthesis
Authors: Kondalkar Vijay V. , Mali Sawanta S. , Kharade Rohini R. , Khot Kishorkumar V. , Patil Pallavi B. , Mane Rahul M. , Choudhury Sipra , Patil Pramod S. , Hong Chang K. , Kim Jin H. , Bhosale Popatrao N.
Published: November 2014

Honeycomb nanostructured single crystalline hexagonal WO3 (h-WO3) thin films in order to improve electrochromic performance.
A polymer supported Cu(i) catalyst for the ‘click reaction’ in aqueous media
Authors: Islam Rafique Ul , Taher Abu , Choudhary Meenakshi , Witcomb Michael J. , Mallick Kaushik
Published: November 2014

The Cu(i)-polymer composite recyclable catalyst for the azide–alkyne cycloaddition reaction at room temperature in aqueous medium.
Cd(ii)-terpyridine-based complex as a ratiometric fluorescent probe for pyrophosphate detection in solution and as an imaging agent in living cells
Authors: Jiao Shu-Yan , Li Kun , Zhang Wei , Liu Yan-Hong , Huang Zeng , Yu Xiao-Qi
Published: November 2014

A ratiometric fluorescent probe for Cd2+ based terpyridine anthracene ligand L1 was synthesized and characterized. The results suggested that the probe could be successfully applied in Cd2+ and pyrophosphate sensing in living cells.
Crystal structures and luminescence properties of Eu2+-activated new NaBa0.5Ca0.5PO4 and Na3Ba2Ca(PO4)3
Authors: Kim Minsung , Kobayashi Makoto , Kato Hideki , Yamane Hisanori , Sato Yasushi , Kakihana Masato
Published: November 2014

In the NaBa1−xCaxPO4 system, three kinds of crystal structure were observed at x = 0, 1/3 and 0.5. New crystal structures were formed rather than the formation of solid solutions. Eu-doped samples exhibited an emission maximum between 435 nm and 460 nm, depending on the amount of Ca.
π-Excess aromatic σ2-P ligands: synthesis and structure of an unprecedented μ2-P-1,3-benzazaphosphole bridged tetranuclear copper(i) acetate complex
Authors: Ghalib Mohammed , Könczöl László , Nyulászi László , Palm Gottfried J. , Schulzke Carola , Heinicke Joachim W.
Published: November 2014

π-Excess aromatic PC–N heterocycles prefer μ2-P coordination to copper(i) as shown by crystal structure analysis of the L2(CuOAc)4cluster complex.
1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis
Authors: Bagh Bidraha , McKinty Adam M. , Lough Alan J. , Stephan Douglas W.
Published: November 2014

Silver(i) 1,2,3-triazol-5-ylidenes [(RCH2C2N2(NMe)Ph)2Ag][AgCl2] (R = Ph3a, C6H2iPr33b, C6H2Me33c) and [(PhCH2C2N2(NMe)R)2Ag][AgCl2] (R = C6H4Me3d, C6H4CF33e) were synthesized and subsequently treated with RuHCl(PPh3)3and RuHCl(H2)(PCy3)2to give cyclometallated and Ru-hydride species as the major and minor products, respectively.
Mesoporous BaTiO3@SBA-15 derived via solid state reaction and its excellent adsorption efficiency for the removal of hexavalent chromium from water
Authors: Kumari Vandana , Sasidharan Manickam , Bhaumik Asim
Published: November 2014

BaTiO3@SBA-15 nanocomposite material has been synthesized via a solid state reaction route and it is successfully employed as an adsorbent for the removal of chromium(vi) from contaminated water with very high adsorption efficiency and only 40 min contact time.
One-pot synthesis of an indole-substituted 7,8-dicarba-nido-dodecahydroundecaborate(−1)
Authors: Neumann W. , Frank R. , Hey-Hawkins E.
Published: November 2014

The generally difficult conjugation of two relevant pharmacophores, indole and carbaborane, has been readily achieved by sequential deboronation and substitution yielding a water-soluble carbaboranyl indole.
Sc2(pydc)2 unit based 1D, 2D and 3D metal–organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation
Authors: Cao Yu , Zhu Ziqian , Xu Jianing , Wang Li , Sun Jiayin , Chen Xiaobo , Fan Yong
Published: November 2014

Three new Sc-MOFs have been synthesized using H2pydc linker and Sc(iii) ions. 1 features a ladder-shaped chain, 2 displays a waved layer and 3 exhibits a (3,3)-connected nbo-a network. All three compounds exhibit good catalytic abilities for the cyanosilylation of aldehyde.
A sterically stabilized FeI–FeI semi-rotated conformation of [FeFe] hydrogenase subsite model
Authors: Goy Roman , Bertini Luca , Elleouet Catherine , Görls Helmar , Zampella Giuseppe , Talarmin Jean , De Gioia Luca , Schollhammer Philippe , Apfel Ulf-Peter , Weigand Wolfgang
Published: November 2014

Semi-rotated state – As the first example so far a [FeIFeI] H2ase model complex with a bulky silicon-containing dithiolate bridge is reported showing a semi-rotated geometry without the need of stabilization via agostic interactions.
Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand
Authors: Comba Peter , Rudolf Henning , Wadepohl Hubert
Published: November 2014

With the hexadentate bispidine ligand, the CuII and FeII (red) complexes are hexacoordinated with a semi-coordinated py4, the MnII complex (green) is heptacoordinated.
Co@NH2-MIL-125(Ti): cobaloxime-derived metal–organic framework-based composite for light-driven H2 production
Authors: Nasalevich M. A. , Becker R. , Ramos-Fernandez E. V. , Castellanos S. , Veber S. L. , Fedin M. V. , Kapteijn F. , Reek J. N. H. , van der Vlugt J. I. , Gascon J.
Published: November 2014

Encapsulation of cobalt catalyst within the pores of a photoresponsive MOF results in very efficient and fully recyclable noble metal-free photocatalyst for hydrogen evolution from water under visible light illumination.
Theory, practice and prospects of X-ray and neutron scattering for lignocellulosic biomass characterization: towards understanding biomass pretreatment
Authors: Cheng Gang , Zhang Xin , Simmons Blake , Singh Seema
Published: November 2014

We present a detailed analysis of application of wide and small angle scattering techniques to study the structures of cellulose and lignin which are relevant to biomass recalcitrance.
Vibrational dynamics of the CO stretching of 9-fluorenone studied by visible-pump and infrared-probe spectroscopy
Authors: Fukui Yuki , Ohta Kaoru , Tominaga Keisuke
Published: November 2014

We studied the effects of hydrogen bonds on the vibrational structures and vibrational dynamics of the CO stretching mode of 9-fluorenone (FL) in the electronically excited state in aprotic and protic solvents using sub-picosecond visible-pump and IR-probe spectroscopy. The transient IR spectrum of the CO stretching band in methanol-d4 has two bands at 1529.9 cm−1 and 1543.4 cm−1, which are assigned to an FL-solvent complex and free FL, respectively. In the aprotic solvents, the CO stretching bands show blue-shifts in time. This shift is due to vibrational cooling, which is derived from anharmonic couplings with some low-frequency modes. Interestingly, a red-shift is observed at later delay time for the band at 1529.9 cm−1 in methanol-d4. A possible mechanism of this spectral shift is related to the hydrogen bond dynamics between the solute and solvent.
Nonlinear quantum optics in the (ultra)strong light–matter coupling
Authors: Sánchez-Burillo Eduardo , García-Ripoll Juanjo , Martín-Moreno Luis , Zueco David
Published: November 2014

The propagation of N photons in one dimensional waveguides coupled to M qubits is discussed, both in the strong and ultrastrong qubit–waveguide coupling. Special emphasis is placed on the characterisation of the nonlinear response and its linear limit for the scattered photons as a function of N, M, qubit inter distance and light–matter coupling. The quantum evolution is numerically solved via the matrix product states technique. The time evolutions for both the field and qubits are computed. The nonlinear character (as a function of N/M) depends on the computed observable. While perfect reflection is obtained for N/M ≅ 1, photon–photon correlations are still resolved for ratios N/M = non-zero. Inter-qubit distance enhances the nonlinear response. Moving to the ultrastrong coupling regime, we observe that inelastic processes are robust against the number of qubits and that the qubit–qubit interaction mediated by the photons is qualitatively modified. The theory developed in this work models experiments in circuit QED, photonic crystals and dielectric waveguides.
The intracellular metabolism of isoflavones in endothelial cells
Authors: Toro-Funes Natalia , Morales-Gutiérrez Francisco Javier , Veciana-Nogués M. Teresa , Vidal-Carou M. Carmen , Spencer Jeremy P. E. , Rodriguez-Mateos Ana
Published: November 2014

Human endothelial cells (HUVEC) can metabolize the isoflavones genistein and daidzein into phase II conjugates, but not the majorin vivomicrobial metabolite of daidzein, equol.
Black rice (Oryza sativa L.) extracts induce osteoblast differentiation and protect against bone loss in ovariectomized rats
Authors: Jang Woo-Seok , Seo Cho-Rong , Jang Hwan Hee , Song No-Joon , Kim Jong-Keun , Ahn Jee-Yin , Han Jaejoon , Seo Woo Duck , Lee Young Min , Park Kye Won
Published: November 2014

Black rice (Oryza sativaL.) inhibits adipocyte differentiation but stimulates osteoblast differentiation. The dual effects on fat and bone show the potential applications of black rice in preventing obesity and osteoporosis.
The colorants, antioxidants, and toxicants from nonenzymatic browning reactions and the impacts of dietary polyphenols on their thermal formation
Authors: Zhang Xinchen , Tao Ningping , Wang Xichang , Chen Feng , Wang Mingfu
Published: November 2014

Nonenzymatic browning reactions proceed with the starting reactants of sugar and/or protein during thermal processing and storage of food.
Overcoming barriers to green chemistry in the pharmaceutical industry – the Green Aspiration Level™ concept
Authors: Roschangar F. , Sheldon R. A. , Senanayake C. H.
Published: November 2014

We introduce the Green Aspiration Level™ (GAL) metric to quantify environmental impact and relative “greenness” of the production process for any pharmaceutical agent, while taking into account the complexity of its synthesis. Broad adoption of the GAL could drive significant progress in green chemistry within the pharmaceutical industry.
Acid-catalyzed algal biomass pretreatment for integrated lipid and carbohydrate-based biofuels production
Authors: Laurens L. M. L. , Nagle N. , Davis R. , Sweeney N. , Van Wychen S. , Lowell A. , Pienkos P. T.
Published: November 2014

One of the major challenges associated with algal biofuels production in a biorefinery-type setting is improving biomass utilization in its entirety, increasing the process energetic yields and providing economically viable and scalable co-product concepts.
LiCoO2: recycling from spent batteries and regeneration with solid state synthesis
Authors: Nie Hehe , Xu Long , Song Dawei , Song Jishun , Shi Xixi , Wang Xiaoqing , Zhang Lianqi , Yuan Zhihao
Published: November 2014

A green recycling process was designed and used to recycle spent LiCoO2 batteries, and the recycled LiCoO2 was regenerated after the solid state synthesis with Li2CO3.
A route to convert CO2: synthesis of 3,4,5-trisubstituted oxazolones
Authors: Hu Jiayin , Ma Jun , Zhang Zhaofu , Zhu Qinggong , Zhou Huacong , Lu Wenjing , Han Buxing
Published: November 2014

CO2 can react with various propargylic amines to form 3,4,5-trisubstituted oxazolones catalyzed by the active, selective and stable ionic liquids.
Catalytic routes towards acrylic acid, adipic acid and ε-caprolactam starting from biorenewables
Authors: Beerthuis Rolf , Rothenberg Gadi , Shiju N. Raveendran
Published: November 2014

Go bio! We assess the biobased productions of three important bulk chemicals: acrylic acid, adipic acid and ε-caprolactam. These are the key monomers for high-end polymers and are all produced globally in excess of two million metric tons per year.
Elemental and molecular mass spectrometric strategies for probing interactions between DNA and new Ru(ii) complexes containing phosphane ligands and either a tris(pyrazol-1-yl)borate or a pyridine bis(oxazoline) ligand
Authors: Rodríguez M. Corte , Fernández L. López , Fernández A. García , Rendueles A. Suárez , Pedregal E. Menendez , Bettmer J. , Blanco-González E. , Montes-Bayón M. , Gamasa M. P. , Lastra E.
Published: November 2014

The potential of elemental and molecular mass spectrometry is evaluated for the study of new ruthenium containing metallodrugs.
Tracing origins of uranium ore concentrates (UOCs) by multidimensional statistical analysis of rare-earth impurities
Authors: Lin Mu , Zhao Yonggang , Zhao Lifei , Li Lili , Wang Fan , Zhu Liuchao , Hu Xiaonan , Ning Wei
Published: November 2014

A novel approach using REE data of uranium ores instead of UOC samples to trace the origins of unknown UOCs was developed.
A microsystem integrating photodegradable hydrogel microstructures and reconfigurable microfluidics for single-cell analysis and retrieval
Authors: Son Kyung Jin , Shin Dong-Sik , Kwa Timothy , You Jungmok , Gao Yandong , Revzin Alexander
Published: November 2014

We developed a micropatterned photodegradable hydrogel array integrated with reconfigurable microfluidics to enable cell secretion analysis and cell retrieval at the single-cell level.
Efficient single-cell poration by microsecond laser pulses
Authors: Fan Qihui , Hu Wenqi , Ohta Aaron T.
Published: November 2014

Microsecond-laser-pulse-induced microbubbles can porate specific single cells on demand at up to 95% efficiency, including the delivery of plasmids and multiple types of payloads.