bluuebunny/crossref_metadata_2025 huggingface dataset:
Calculation of Raman optical activity spectra for vibrational analysis
Authors: Mutter Shaun T. , Zielinski François , Popelier Paul L. A. , Blanch Ewan W.
Published: January 2015

This review provides the necessary knowledge to accurately model ROA spectra of solvated systems and interpret their vibrational characteristics.
Determination of Se(iv) by adsorptive cathodic stripping voltammetry at a Bi/Hg film electrode
Authors: Sharifian Parisa , Aliakbar Alireza
Published: January 2015

Method and conditions: determination of trace amounts of Se(IV) by adsorptive cathodic stripping voltammetry at the Bi/Hg film electrode in an open circuit system; limit of detection: 0.07 ng mL−1; limit of quantification: 0.25 ng mL−1; RSD: 2.4% (for five replications of 5 ng mL−1 of Se(iv)); analytical range: 2–50 ng mL−1; interference: selective for Se(iv) – no interference; application: determination of Se(iv) in vegetable, fruits and water samples.
Effects of incorporation of azido moieties into the hydrophobic core of coiled coil peptides
Authors: Cheong Jian Liang , Lim Jaehong , Toh Jerry K. C. , Jee Joo-Eun , Wong Lan Li , Venkataraman Shrinivas , Lee Su Seong , Lee Song-Gil
Published: January 2015

Controlled peptide foldingviathe variation of azido content.
Targeting the Hsp90 C-terminal domain by the chemically accessible dihydropyrimidinone scaffold
Authors: Strocchia Maria , Terracciano Stefania , Chini Maria G. , Vassallo Antonio , Vaccaro Maria C. , Dal Piaz Fabrizio , Leone Antonietta , Riccio Raffaele , Bruno Ines , Bifulco Giuseppe
Published: January 2015

Identification of a first DHPM-based lead compound useful for developing a new class of Hsp90 C-terminal inhibitors for cancer therapy.
Doubly crosslinked microgel-colloidosomes: a versatile method for pH-responsive capsule assembly using microgels as macro-crosslinkers
Authors: Wang Wenkai , Milani Amir. H. , Carney Louise , Yan Junfeng , Cui Zhengxing , Thaiboonrod Sineenat , Saunders Brian R.
Published: January 2015

Covalent inter-linking of vinyl-functionalised microgels adsorbed to oil droplets gives pH-responsive doubly crosslinked microgel colloidosomes.
Selective enrichment of proteins for MALDI-TOF MS analysis based on molecular imprinting
Authors: Wan Wei , Han Qiang , Zhang Xiaoqiong , Xie Yuming , Sun Jieping , Ding Mingyu
Published: January 2015

Molecularly imprinted polymers were applied for selective enrichment of proteins in MALDI-TOF MS analysis for the first time.
On the interaction of water-soluble binders and nano silicon particles: alternative binder towards increased cycling stability at elevated temperatures
Authors: Klamor S. , Schröder M. , Brunklaus G. , Niehoff P. , Berkemeier F. , Schappacher F. M. , Winter M.
Published: January 2015

Silicon based composites are among the most promising negative electrodes for lithium ion battery applications due to their high theoretical capacities.
Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals
Authors: Kocman Mikuláš , Jurečka Petr , Dubecký Matúš , Otyepka Michal , Cho Yeonchoo , Kim Kwang S.
Published: January 2015

Various dispersion-corrected density functionals are compared with high level QM data for several model complexes for adsorptive hydrogen storage.
Fluorescence sensing systems for gold and silver species
Authors: Singha Subhankar , Kim Dokyoung , Seo Hyewon , Cho Seo Won , Ahn Kyo Han
Published: January 2015

Here, we provide an overview of the reported fluorescent detection systems for gold and silver species, and discuss their sensing properties with promising features.
Electrochemical activation of an oblique angle deposited Cu catalyst film for H2 production
Authors: González-Cobos Jesús , Rico Víctor J. , González-Elipe Agustín R. , Valverde José L. , de Lucas-Consuegra Antonio
Published: January 2015

A novel Cu catalyst film was prepared by oblique angle physical vapour deposition (OAD) on a K-βAl2O3 solid electrolyte (alkaline ionic conductor) for catalytic/electrocatalytic purposes.
Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)]+/2+ (X = Cl, H2O; L = bpmo, bpms) complexes
Authors: Tripathy Suman Kumar , Taviti Ashoka Chary , Dehury Niranjan , Sahoo Anupam , Pal Satyanaryan , Beuria Tushar Kant , Patra Srikanta
Published: January 2015

Simple replacement of Cl− by H2O in {(p-cym)RuII(L)X]n+ (X = Cl or H2O) complexes enhances antibacterial activity significantly.
Cu(i)-assisted click chemistry strategy for conjugation of non-protected cross-bridged macrocyclic chelators to tumour-targeting peptides
Authors: Cai Zhengxin , Li Barbara T. Y. , Wong Edward H. , Weisman Gary R. , Anderson Carolyn J.
Published: January 2015

A novel phosphonate-based cross-bridged macrocyclic chelator was efficiently synthesized, clicked with an octreotate analogue, and evaluated as a 64Cu-labelled PET radiopharmaceutical.
Measuring induction times and crystal nucleation rates
Authors: Brandel Clément , ter Horst Joop H.
Published: January 2015

A large variation is observed in induction times measured under equal conditions in 1 ml solutions. Ruling out experimental errors, this variation originates from the nucleation process. The induction time distribution is explained by the stochastic nature of nucleation if the number of nuclei formed is approaching 1 per vial. Accurate heterogeneous crystal nucleation rates were determined from the induction time distributions on a 1 ml scale for racemic diprophylline in two solvents. The difference in nucleation behaviour in the two solvents originates from the energy barrier for nucleation, which is much higher in the solvent in which induction times are much longer. In addition the pre-exponential factor for the crystal nucleation rate in both solvents is rather low compared to predictions using Classical Nucleation Theory. Unfortunately, concentration and surface characteristics of the effective heterogeneous particles are not known which clouds a further molecular interpretation.
Rapid and multiplex detection of Legionella's RNA using digital microfluidics
Authors: Foudeh Amir M. , Brassard Daniel , Tabrizian Maryam , Veres Teodor
Published: January 2015

Digital microfluidics integration of an amplification-free assay based on targeting 16s rRNA for the specific detection ofLegionellabacteria.
Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity
Authors: Kammoun Omar , Rekik Walid , Naïli Houcine , Bataille Thierry
Published: January 2015

The crystal structures of hybrid sulfate salts show a lamellar aspect with interlayer spacings of 12 and 13 Å.
A theoretical study of the gas phase (proton affinity) and aqueous (pKa) basicity of a series of 150 pyrazoles
Authors: Marín-Luna Marta , Alkorta Ibon , Elguero José
Published: January 2015

Experimental proton affinities and pKas covering a range of 208 kJ mol−1and 10.3 pKaunits, respectively, have been analyzed theoretically.
Large-area synthesis of monolayer WSe2 on a SiO2/Si substrate and its device applications
Authors: Huang Jian , Yang Lei , Liu Dong , Chen Jingjing , Fu Qi , Xiong Yujie , Lin Fang , Xiang Bin
Published: January 2015

Recently two-dimensional layered semiconductors with promising electronic and optical properties have opened up a new way for applications in atomically thin electronics and optoelectronics.
Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes
Authors: Mykhailiuk Pavel K.
Published: January 2015

Three-component synthesis of fluorinated pyrazoles.
Reversible and “fingerprint” fluorescence differentiation of organic amine vapours using a single conjugated polymer probe
Authors: Fu Yanyan , Yao Junjun , Xu Wei , Fan Tianchi , He Qingguo , Zhu Defeng , Cao Huimin , Cheng Jiangong
Published: January 2015

By embedding multiple reactive groups onto one polymer, an ultrasensitive and reversible fluorescent probe for different organic amines vapour has been reported.
Influence of less active initiator on the living performance of atom transfer radical polymerization and the structure of the synthesized grafted copolymer
Authors: Gong Honghong , Li Junjie , Di Daming , Li Na , Zhang Zhicheng
Published: January 2015

By monitoring the grafting structure of P(VDF-CTFE)-g-PMMA synthesized from FeCl2/PPh3 and CuCl/BPy catalyzed ATRP process, the influence of less active initiator on the living performance and the evolution of growing polymer chains was disclosed.
Enhanced in vitro cytotoxicity and cellular uptake of DNA bases functionalized gold nanoparticles in HeLa cell lines
Authors: Borse Shubhangi , Joshi Satyawati , Khan Ayesha
Published: January 2015

DNA base functionalized AuNPs are internalized to a greater extent with high cellular uptake and enhanced cytotoxicity in HeLa cells.
Effect of osmotic treatments and drying methods on bioactive compounds in papaya and tomato
Authors: Siriamornpun Sirithon , Ratseewo Jiranan , Kaewseejan Niwat , Meeso Naret
Published: January 2015

FIR and hot air drying enhanced lycopene and lutein contents, whereas osmotic treatment preserved sinapic acid and ferulic acid.
Rational design of three-dimensional nitrogen-doped carbon nanoleaf networks for high-performance oxygen reduction
Authors: Chen Liang , Xu Chenyu , Du Ran , Mao Yueyuan , Xue Cheng , Chen Liming , Qu Liangti , Zhang Jin , Yi Tao
Published: January 2015

“Carbon nanoleaf” aerogels were developed, constructed with nitrogen-doped CNTs/GNRs, which show excellent catalytic performance in oxygen reduction reaction.
Biodegradable nanoparticle-mediated K-ras down regulation for pancreatic cancer gene therapy
Authors: Yang Chengbin , Hu Rui , Anderson Tommy , Wang Yucheng , Lin Guimiao , Law Wing-Cheung , Lin Wei-Jen , Nguyen Quoc Toan , Toh Hui Ting , Yoon Ho Sup , Chen Chih-Kuang , Yong Ken-Tye
Published: January 2015

Biodegradable nanoparticle-mediated K-ras siRNA delivery has shown inhibition of cell proliferation, migration and invasion in pancreatic cancer cells.
Porous hollow microspheres of amorphous calcium phosphate: soybean lecithin templated microwave-assisted hydrothermal synthesis and application in drug delivery
Authors: Ding Guan-Jun , Zhu Ying-Jie , Qi Chao , Lu Bing-Qiang , Chen Feng , Wu Jin
Published: January 2015

Microwave-assisted hydrothermal synthesis of porous hollow microspheres of amorphous calcium phosphate using adenosine triphosphate, CaCl2 and soybean lecithin is reported.
Haemolytic activity and cellular toxicity of SBA-15-type silicas: elucidating the role of the mesostructure, surface functionality and linker length
Authors: Ferenc Małgorzata , Katir Nadia , Miłowska Katarzyna , Bousmina Mosto , Majoral Jean-Pierre , Bryszewska Maria , El Kadib Abdelkrim
Published: January 2015

Haemolytic activity and cellular toxicity of native, amino-, mercapto-, and carboxy-terminated SBA-15-type silicates were investigated.
Biodegradable glycopolymer-b-poly(ε-caprolactone) block copolymer micelles: versatile construction, tailored lactose functionality, and hepatoma-targeted drug delivery
Authors: Chen Wei , Meng Fenghua , Cheng Ru , Deng Chao , Feijen Jan , Zhong Zhiyuan
Published: January 2015

An illustration of versatile construction of biodegradable glycopolymer-PCL micelles with tailored LBA-functionality for hepatoma-targeted drug delivery.
Improved output characteristics of organic thin film transistors by using an insulator/protein overlayer and their applications
Authors: Choi Jinsung , Jeon Hong Goo , Kwon O. Eun , Bae Ingon , Cho Jaewon , Kim Yunki , Park Byoungchoo
Published: January 2015

Organic thin-film transistors with insulator/protein overlayers are successfully fabricated by employing negatively charged protein overlayers to achieve high-performance devices.
In vitro models for neurotoxicology research
Authors: Barbosa Daniel José , Capela João Paulo , de Lourdes Bastos Maria , Carvalho Félix
Published: January 2015

The nervous system has a highly complex organization, including many cell types with multiple functions, with an intricate anatomy and unique structural and functional characteristics; the study of its (dys)functionality following exposure to xenobiotics, neurotoxicology, constitutes an important issue in neurosciences.
Purified dispersions of graphene in a nonpolar solvent via solvothermal reduction of graphene oxide
Authors: Zheng Fei , Xu Wei-Long , Jin Han-Dong , Zhu Meng-Qi , Yuan Wei-Hao , Hao Xiao-Tao , Ghiggino Kenneth P.
Published: January 2015

It is demonstrated that oxidative debris can be separated and largely removed during the surfactant assisted phase transfer of graphene oxide from a water/ethanol mixture to dichlorobenzene.
Localized polyselenides in a graphene-coated polymer separator for high rate and ultralong life lithium–selenium batteries
Authors: Fang Ruopian , Zhou Guangmin , Pei Songfeng , Li Feng , Cheng Hui-Ming
Published: January 2015

A graphene-coated polymer separator was developed for lithium–selenium batteries with pure selenium powder as the active material.
Hydrophobic monofunctionalized cucurbit[7]uril undergoes self-inclusion complexation and forms vesicle-type assemblies
Authors: Yu Yang , Li Jie , Zhang Mingming , Cao Liping , Isaacs Lyle
Published: January 2015

We report the synthesis of hydrophobic monofunctionalized CB[7] derivative 1 that forms self-assembled vesicles in combination with guests 1 and 2; release of encapsulated rhodamine 6G is triggered by addition of Triton X-100.
Combining an Hsp70 inhibitor with either an N- or C-terminal Hsp90 inhibitor produces mechanistically distinct phenotypes
Authors: Wang Y. , McAlpine S. R.
Published: January 2015

Blocking the function of both heat shock protein 90 and 70 (Hsp90 and Hsp70) simultaneously limits these chaperones’ cytoprotective effects on cancer cells.
The relevance of epigenetics to occlusive cerebral and peripheral arterial disease
Authors: Krishna Smriti Murali , Trollope Alexandra Fay , Golledge Jonathan
Published: January 2015

Athero-thrombosis of the arteries supplying the brain and lower limb are the main causes of stroke and limb loss. New therapies are needed to improve the outcomes of athero-thrombosis. Recent evidence suggests a role for epigenetic changes in the development and progression of ischaemic injury due to atherosclerotic occlusion of peripheral arteries. DNA hypermethylation have been associated with cardiovascular diseases. Histone post-translational modifications have also been implicated in atherosclerosis. Oxidized low-density lipoprotein regulated pro-inflammatory gene expression within endothelial cells is controlled by phosphorylation/acetylation of histone H3 and acetylation of histone H4 for example. There are a number of challenges in translating the growing evidence implicating epigenetics in atherosclerosis to improved therapies for patients. These include the small therapeutic window in conditions such as acute stroke and critical limb ischaemia, since interventions introduced in such patients need to act rapidly and be safe in elderly patients with many co-morbidities. Pre-clinical animal experiments have also reported conflicting effects of some novel epigenetic drugs, which suggest that further in-depth studies are required to better understand their efficacy in resolving ischaemic injury. Effective ways of dealing with these challenges are needed before epigenetic approaches to therapy can be introduced into practice.
Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment
Authors: Dresselhaus Thomas , Neugebauer Johannes , Knecht Stefan , Keller Sebastian , Ma Yingjin , Reiher Markus
Published: January 2015

We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.
Fully relativistic complete active space self-consistent field for large molecules: Quasi-second-order minimax optimization
Authors: Bates Jefferson E. , Shiozaki Toru
Published: January 2015

We develop an efficient algorithm for four-component complete active space self-consistent field (CASSCF) methods on the basis of the Dirac equation that takes into account spin–orbit and other relativistic effects self-consistently. Orbitals are optimized using a trust-region quasi-Newton method with Hessian updates so that energies are minimized with respect to rotations among electronic orbitals and maximized with respect to rotations between electronic and positronic orbitals. Utilizing density fitting and parallel computation, we demonstrate that Dirac–Coulomb CASSCF calculations can be routinely performed on systems with 100 atoms and a few heavy-elements. The convergence behavior and wall times for octachloridodirhenate(III) and a tungsten methylidene complex are presented. In addition, the excitation energies of octachloridodirhenate(III) are reported using a state-averaged variant.
Research Update: Platinum-elastomer mesocomposite as neural electrode coating
Authors: Minev Ivan R. , Wenger Nikolaus , Courtine Grégoire , Lacour Stéphanie P.
Published: January 2015

Platinum is electrochemically stable and biocompatible, and remains the preferred material for the fabrication of implantable neural electrodes. In a foil or film format, platinum is mechanically stiff compared to interfaced biological tissue. We report a soft, highly stable platinum-elastomer composite that offers both mechanical compliance and the electrochemical properties of platinum. We demonstrate the high-performance of the novel mesocomposite printed on stretchable microelectrodes both in vitro and in vivo. The platinum-elastomer composite is a new promising coating for chronic neural interfaces.
Vortex rings impinging on permeable boundaries
Authors: Mujal-Colilles Anna , Dalziel Stuart B. , Bateman Allen
Published: January 2015

Experiments with vortex rings impinging permeable and solid boundaries are presented in order to investigate the influence of permeability. Utilizing Particle Image Velocimetry, we compared the behaviour of a vortex ring impinging four different reticulated foams (with permeability k ∼ 26 − 85 × 10−8 m2) and a solid boundary. Results show how permeability affects the stretching phenomena of the vortex ring and the formation and evolution of the secondary vortex ring with opposite sign. Moreover, permeability also affects the macroscopic no-slip boundary condition found on the solid boundary, turning it into an apparent slip boundary condition for the most permeable boundary. The apparent slip-boundary condition and the flux exchange between the ambient fluid and the foam are jointly responsible for both the modified formation of the secondary vortex and changes on the vortex ring diameter increase.
Electric-field control of electromagnon propagation and spin-wave injection in a spiral multiferroic/ferromagnet composite
Authors: Chen Hong-Bo , Li You-Quan , Berakdar Jamal
Published: January 2015

We consider theoretically a composite chain consisting of a multiferroic helimagnet coupled to a conventional ferromagnet and inspect the conversion of electromagnon excitation into spin waves and vice versa. We demonstrate an electric-field control of spin-wave injection realized by electrically exciting an electromagnon that propagates with an intrinsic frequency larger than the gap of the spin wave in the ferromagnet. The efficiency of the conversion of the electromagnon into spin waves depends strongly on the strength of the magnetoelectric coupling at the interface and the intrinsic frequency of the multiferroic helimagnets. The phenomena predicted here suggest that a multiferroic/ferromagnet composite offers new opportunities for spin-wave injection, conversion, and control using electric field.
Synergy between pair coupled cluster doubles and pair density functional theory
Authors: Garza Alejandro J. , Bulik Ireneusz W. , Henderson Thomas M. , Scuseria Gustavo E.
Published: January 2015

Pair coupled cluster doubles (pCCD) has been recently studied as a method capable of accounting for static correlation with low polynomial cost. We present three combinations of pCCD with Kohn–Sham functionals of the density and on-top pair density (the probability of finding two electrons on top of each other) to add dynamic correlation to pCCD without double counting. With a negligible increase in computational cost, these pCCD+DFT blends greatly improve upon pCCD in the description of typical problems where static and dynamic correlations are both important. We argue that—as a black-box method with low scaling, size-extensivity, size-consistency, and a simple quasidiagonal two-particle density matrix—pCCD is an excellent match for pair density functionals in this type of fusion of multireference wavefunctions with DFT.
Ultrafine nanoporous palladium-aluminum film fabricated by citric acid-assisted hot-water-treatment of aluminum-palladium alloy film
Authors: Harumoto Takashi , Tamura Yohei , Ishiguro Takashi
Published: January 2015

Hot-water-treatment has been adapted to fabricate ultrafine nanoporous palladium-aluminum film from aluminum-palladium alloy film. Using citric acid as a chelating agent, a precipitation of boehmite (aluminum oxide hydroxide, AlOOH) on the nanoporous palladium-aluminum film was suppressed. According to cross-sectional scanning transmission electron microscopy observations, the ligament/pore sizes of the prepared nanoporous film were considerably small (on the order of 10 nm). Since this fabrication method only requires aluminum alloy film and hot-water with chelating agent, the ultrafine nanoporous film can be prepared simply and environmentally friendly.
A Smog Chamber Facility for Qualitative and Quantitative Study on Atmospheric Chemistry and Secondary Organic Aerosol
Authors: Hu Chang-jin , Cheng Yue , Pan Gang , Gai Yan-bo , Gu Xue-jun , Zhao Wei-xiong , Wang Zhen-ya , Zhang Wei-jun , Chen Jun , Liu Fu-yi , Shan Xiao-bin , Sheng Liu-si
Published: January 2015

In order to investigate the atmospheric oxidation processes and the formation of secondary organic aerosol (SOA), an indoor environmental reaction smog chamber are constructed and characterized. The system consists of the collapsible ∼830 L FEP Teflon film main reactor, in which the atmospheric chemical reactions take place and the formation of SOA occurs under the simulated atmospheric conditions, and the diverse on-line gas- and particle-phase instrumentation, such as the proton transfer reaction mass spectrometer, the synchrotron radiation photoionization mass spectrometer, the aerosol laser time-of-flight mass spectrometer, and other traditional commercial instruments. The initial characterization experiments are described, concerning the temperature and ultraviolet light intensity, the reactivity of the pure air, the wall loss rates of gaseous compounds and particulate matter. And the initial evaluation experiments for SOA yields from the ozonolysis of α-pinene and for mass spectra of the products resulting from the photooxidation of OH initiated isoprene are also presented, which indicate the applicability of this facility on the studies of gas-phase chemical mechanisms as well as the formation of SOA expected in the atmosphere.
Theoretical Study on Dissociation Potential Energy Surface of Peroxynitric Acid
Authors: Wei Wen-mei , Zheng Ren-hui , Wu Yun-kai , Yang Fan , Hong Shi
Published: January 2015

The lowest energy structures of peroxynitric acid have been studied with B3LYP/6-311++G(2d,2p) method. The potential energy surfaces (PES) along the O—N and O—O bonds have been scanned at CCSD(T)/aug-cc-pVDZ level, respectively. The calculated results show that on the O—N PES, the O3—N4 bond length of the loose transition state is 2.82 Å and the corresponding energy barrier is 25.6 kcal/mol, while on the O—O PES, the loose transition state with of O2—O3 bond length of 2.35 Å has the energy barrier of 37.4 kcal/mol. Thus the primary reaction path for peroxynitric acid is the dissociation into HO2 and NO2.
Preparation, Characterization, Photocatalytic Activity of S and Ag co-Doped Mesoporous Titania Photocatalysts
Authors: Yao Shu-hua , Zheng Zhi-hui , Chen Shuang , Shi Zhong-liang
Published: January 2015

In order to improve the photocatalytic performance of mesoporous titania under visible light, a series of photocatalysts of S and Ag co-doped mesoporous titania have been successfully prepared by template method using thiourea, AgNO3 and tetrabutyl titanate as precursors and Pluronic P123 (EO20PO70EO20) as template. Scanning electron microscopy, X-ray diffraction, nitrogen adsorption-desorption measurements, and UV-visible spectroscopy were employed to characterize the morphology, crystal structure, surface structure, and optical absorption properties of the samples. The microcrystal of the photocatalysts consisted of anatase phase and was approximately present in the form of spherical particle. The photocatalytic performance was studied by photodegradation methyl orange in water under UV and visible light irradiation. The calcination temperature and the doping content influenced the photoactivity. In addition, the possibility of cyclic usage of co-doped mesoporous titania was also confirmed, the photocatalytic activity of mesoporous titania remained above 89% of the fresh sample after being used four times. It was shown that the co-doped mesoporous titania could be activated by visible light and could thus be potentially applied for the treatment of water contaminated by organic pollutants. The synergistic effect of sulfur and silver co-doping played an important role in improving the photocatalytic activity.
What's That Smell? An Ecological Approach to Understanding Preferences for Familiar Odors
Authors: Schloss Karen B , Goldberger Carolyn S , Palmer Stephen E , Levitan Carmel A
Published: January 2015

How do odor preferences arise? Following Palmer and Schloss's (2010, PNAS, 107, 8877–8882) ecological valence theory of color preferences, we propose that preference for an odor is determined by preferences for all objects and/or entities associated with that odor. The present results showed that preferences for familiar odors were strongly predicted by average preferences for all things associated with the odors (eg people liked the apple odor which was associated with mostly positive things, such as apples, soap, and candy, but disliked the fish odor, which was associated with mostly negative things, such as dead fish, trash, and vomit). The odor WAVEs (weighted affective valence estimates) performed significantly better than one based on preference for only the namesake object (eg predicting preference for the apple odor based on preference for apples). These results suggest that preferences for familiar odors are based on a summary statistic, coding the valence of previous odor-related experiences. We discuss how this account of odor preferences is consistent with the idea that odor preferences exist to guide organisms to approach beneficial objects and situations and avoid harmful ones.
Evaluation of the biochemical and physiological activity of the natural compound, 2,4-ditert-butylphenol on weeds
Authors: Chuah T. S. , Norhafizah M. Z. , Ismail B. S.
Published: January 2015

2,4-Di-tert-butylphenol (2,4-DTBP) is a natural compounds present in medicinal plants. It is reported to have herbicidal properties. However, the mechanism of action is unknown for use in weed management. Measurements were made of lipid peroxidation, ion leakage, antioxidant enzymes, chlorophyll content, chlorophyll fluorescence and photosynthesis in the grassy weed Leptochloa chinensis (L.) Nees and the broadleaf weed Hedyotis verticillata (L.) Lam. at 7 and 14 days, respectively, after treatment with 2,4-DTBP. The 2,4-DTBP reduced the shoot fresh weight of L. chinensis and H. verticillata by 50% when applied at concentrations of 50 and 200 µg mL–1, respectively. Treatment with 2,4-DTBP significantly increased levels of malondialdehyde, caused excessive ion leakage and increased activities of antioxidant enzymes such as superoxide dismutase, peroxidase and catalase in leaf and root tissues of the two bioassay species. Most notably, 2,4-DTBP treatment caused great reduction in chlorophyll content, thereby decreasing chlorophyll fluorescence, transpiration and net photosynthetic rate in the leaf tissues. The results suggest that 2,4-DTBP induces oxidative stress through the generation of reactive oxygen species, which cause lipid peroxidation and membrane damage in root tissues and chloroplast in leaf tissues, thus leading to increased levels of antioxidant enzymes.
Effects of lucerne genotype on morphology, biomass production and nitrogen content of lucerne and tall fescue in mixed pastures
Authors: Maamouri Amel , Louarn Gaëtan , Gastal François , Béguier Vincent , Julier Bernadette
Published: January 2015

Cultivation of legume–grass mixtures ensures a high, protein-rich forage yield with no nitrogen (N) fertilisation. The maintenance of a reasonable proportion of each species over time may depend on the variety. In mixtures of lucerne (Medicago sativa L.) and grass, the effect of genetic variation on biomass and N accumulation is little described. We analysed how lucerne genetic variation affects agronomic traits. The experiment included 46 lucerne and two tall fescue (Festuca arundinacea Schreb.) genotypes tested in microplots of three lucerne and four fescue clones, evaluating biomass production, plant height, stem number and N content in eight cuts in 2011 and 2012. There was a wide genetic variation among lucerne genotypes but no significant statistical interaction between lucerne and fescue genotypes. This suggests that agronomic value of lucerne genotypes for mixtures can be evaluated with any grass genotype. On average, the grass plants grown with highly productive lucerne genotypes had an increased leaf elongation and N status but a reduced tiller number, which could limit their persistence. This is the first observation that the choice of lucerne genotype determines morphology, biomass production and N absorption of both lucerne and tall fescue grown in mixture.
Spatio-temporal variability in rangeland conditions associated with climate change in the Altun Mountain National Nature Reserve on the Qinghai-Tibet Plateau over the past 15 years
Authors: Liu S. L. , Zhao H. D. , Su X. K. , Deng L. , Dong S. K. , Zhang X.
Published: January 2015

One of the focuses of global change research is on the impact of climate change on alpine vegetation. The Altun Mountain National Nature Reserve is the largest alpine desert rangeland reserve in China to protect wild endangered ungulate species. This paper aims to detect changing trends in rangeland conditions in this region. Temporal changes in the Normalised Difference Vegetation Index (NDVI) for the rangelands in the Altun Nature Reserve and its correlation with climatic variables were studied over the period from 1998 to 2012. Based on the NDVI index and using ArcGIS spatial analyst, the areas of likely rangeland degradation and areas of improved in rangeland condition were identified using linear regression analysis. The results showed that NDVI values were relatively low, varying from 0.04 to 0.1, and there existed distinct monthly changes. The highest NDVI values were exhibited in August. Generally, the NDVI showed an increasing trend over time with several annual fluctuations. High values were distributed mainly in the core area of the nature reserve. Trend analysis showed that vegetation near rivers and lakes was most likely to be degraded but, overall, the vegetation conditions improved over the 15 years of the study, which meant an improvement in the habitats of key wild ungulate species. Precipitation and temperature had a significant linear positive correlation with NDVI, which suggested that they were the main driving forces for rangeland improvement. The vegetation at the edge of the protected areas appeared degraded due to human activities.
A critical review of socioeconomic and natural factors in ecological degradation on the Qinghai-Tibetan Plateau, China
Authors: Wang Pu , Lassoie James P. , Morreale Stephen J. , Dong Shikui
Published: January 2015

Grassland degradation on the Qinghai-Tibetan Plateau has become one of the most important issues for ecological science and policy-making in China. Even though researchers have explained the process of grassland degradation in some sub-regions, they have failed to reach any consensus on the primary causes and underlying mechanisms, and strategies for restoration. In this article, the potential socioeconomic and natural causes of grassland degradation in this region are critically examined through an extensive literature review, including studies on population growth, overgrazing, socio-cultural transformations and climate change. It is concluded that there is no single primary factor acting alone to cause degradation of grasslands across the entire region. Rather, different major causes and different combinations of factors influencing grassland structure and function likely operate at different spatial and temporal scales. In this context, it becomes critical to analyse various natural, socioeconomic and historical factors in each specific region when choosing amelioration or restoration schemes for an area. It also is important to conduct careful and precisely targeted analysis before applying a single restoration method on a broad-scale to an ecologically and socially complex region.
Wildfire effects on soil carbon and water repellency under eucalyptus forest in Eastern Australia
Authors: Heath Jessica T. , Chafer Chris J. , Bishop Thomas F. A. , Van Ogtrop Floris F.
Published: January 2015

Soil properties can be considerably modified as a result of wildfire. This study examined the impact of wildfire on total carbon and water repellency at two study sites, namely Cranebrook and Wentworth Falls, located 45 and 75 km west of Sydney, Australia, respectively. Within each study site, we measured soil properties at two depth intervals from five burn severity classes along 15 transects (10 sample points per transect). Samples were taken 6, 12 and 36 months after wildfire. Soil total carbon was measured using LECO combustion analysis and potential soil water repellency was determined using water drop penetration time. Two-way analysis of variance (ANOVA) was used to analyse the results, with burn severity and time as factors. Burn severity had a significant effect on both soil total carbon and water repellency at both study sites, whereas time was only significant for soil carbon at Wentworth Falls. Soil total carbon and water repellency were variable through time due to local environmental variables, such as rainfall and temperature. The relationship between soil total carbon and water repellency was strong for Cranebrook in the surface soil (r = 0.62) and lower in the subsurface soil (r = 0.41), but weaker at Wentworth Falls, with values of r = 0.22 and r = 0.15 in the surface and subsurface soils respectively.
Therapeutic mechanisms of high-frequency stimulation in Parkinson’s disease and neural restoration via loop-based reinforcement
Authors: Santaniello Sabato , McCarthy Michelle M. , Montgomery Erwin B. , Gale John T. , Kopell Nancy , Sarma Sridevi V.
Published: January 2015

Significance

We investigated the therapeutic mechanisms of high-frequency stimulation (HFS) in Parkinson’s disease by developing a computational model of the cortico-basal ganglia-thalamo-cortical loop in normal and parkinsonian conditions under the effects of stimulation at several frequencies. We found that the stimulation injected in the loop elicits neural perturbations that travel along multiple pathways with different latencies and rendezvous in striatum (one of the basal ganglia). If the stimulation frequency is high enough, these perturbations overlap (reinforcement) and cause more regular, stimulus-locked firing patterns in striatum. Overlap is maximal at clinically relevant HFS and restores more normal activity in the remaining structures of the loop. This suggests that neural restoration and striatal reinforcement may be a therapeutic merit and mechanism of HFS, respectively.
Cranial vault trauma and selective mortality in medieval to early modern Denmark
Authors: Boldsen Jesper L. , Milner George R. , Weise Svenja
Published: January 2015

Significance

Neurocranial fractures and their aftermath took a toll on people in premodern societies, much like today. Archaeological information on skeletal trauma, however, typically consists of mere tallies of injuries, much like other disease-related lesions. We quantify the increased risk of dying for men with healed cranial vault fractures, an approach that can be adapted to any pathological condition. In medieval to early modern Denmark, head-injured men experienced a relative risk of dying about double that of modern people, probably in large part because of differences in medical care and social support. This approach provides a means of measuring the extent, hence consequences, of excess injury and disease-related mortality across the full range of human societies extending into the distant past.
Src phosphorylation converts Mdm2 from a ubiquitinating to a neddylating E3 ligase
Authors: Batuello Christopher N. , Hauck Paula M. , Gendron Jaimie M. , Lehman Jason A. , Mayo Lindsey D.
Published: January 2015

Significance

Conjugation of large polypeptides such as Neural precursor cell expressed, developmentally down-regulated 8 (Nedd8) and ubiquitin to proteins is a critical regulatory process for normal cell function. There are more than 1,000 E3 ligases that are involved in the ubiquitin pathway. The predominant activity of one E3, murine double minute-2 protein (Mdm2), has been characterized to mediate ubiquitination of the tumor suppressor p53 in response to genotoxic stress. We show that under growth conditions, active Src kinase binds to and phosphorylates Mdm2 at Y281 and Y302, which recruits the Nedd8 E2 enzyme, Ubc12. This recruitment converts Mdm2 to an E3 that neddylates p53. We provide the first evidence, to our knowledge, showing how phosphorylation may redirect ligase activity. This mechanism may be applicable to numerous E3 ligases and provides a basis for therapeutic intervention.
Cooperate without looking: Why we care what people think and not just what they do
Authors: Hoffman Moshe , Yoeli Erez , Nowak Martin A.
Published: January 2015

Significance

Why do we trust people more when they do good without considering in detail the cost to themselves? People who avoid “looking” at the costs of good acts can be trusted to cooperate in important situations, whereas those who look cannot. We find that evolutionary dynamics can lead to cooperation without looking at costs. Our results illuminate why we attend closely to people’s motivations for doing good, as prescribed by deontological ethicists such as Kant, and, also, why we admire principled people, adhere to taboos, and fall in love.
Structure and mechanism ofStaphylococcus aureusTarM, the wall teichoic acid α-glycosyltransferase
Authors: Sobhanifar Solmaz , Worrall Liam James , Gruninger Robert J. , Wasney Gregory A. , Blaukopf Markus , Baumann Lars , Lameignere Emilie , Solomonson Matthew , Brown Eric D. , Withers Stephen G. , Strynadka Natalie C. J.
Published: January 2015

Significance

This paper describes the structure ofStaphylococcus aureusTarM, an enzyme responsible for the glycosylation of wall teichoic acid that is important in pathological processes such as host immunity, phage binding, and antibiotic resistance in strains such as Methicillin-resistantS. aureus. The TarM structure is presented in an unusual ternary-like complex that features a polymeric acceptor substrate analogue and a trapped product of enzyme action, lending novel structural and mechanistic insight into the glycosylation of glycopolymers. More generally, the positioning of this product in the active site as well as the distorted conformation of its pyranose ring provide direct structural evidence for an internal substitution-like catalytic mechanism for retaining GT-B class enzymes.
Nostopeptolide plays a governing role during cellular differentiation of the symbiotic cyanobacterium
Nostoc punctiforme
Authors: Liaimer Anton , Helfrich Eric J. N. , Hinrichs Katrin , Guljamow Arthur , Ishida Keishi , Hertweck Christian , Dittmann Elke
Published: January 2015

Significance

Nostoc
symbioses with plants represent one of the most versatile and ancient types of symbioses. The infection process is a tug-of-war between the plant host and the cyanobacterial symbiont, with a reciprocal influence of both partners on the differentiation of the infectious motile filaments, hormogonia. In the present study, we have uncovered a major hormogonium-repressing factor of
Nostoc punctiforme
, nostopeptolide. To our knowledge, the nonribosomal peptide is the first complex secondary metabolite of cyanobacteria for which a governing role during cellular differentiation could be demonstrated. Different plant partners were shown to strictly downregulate the factor in symbiosis, thereby unveiling a complex cross-talk network between plants and
Nostoc
.
Bordetella pertussis fim3
gene regulation by BvgA: Phosphorylation controls the formation of inactive vs. active transcription complexes
Authors: Boulanger Alice , Moon Kyung , Decker Kimberly B. , Chen Qing , Knipling Leslie , Stibitz Scott , Hinton Deborah M.
Published: January 2015

Significance

The response regulator BvgA controls virulence gene expression in the human pathogen
Bordetella pertussis
. Phosphorylated BvgA together with RNA polymerase form transcription complexes that synthesize RNA from the
B. pertussis
promoter for the fimbrial gene
fim3
. We show that nonphosphorylated BvgA and RNA polymerase form stable but inactive complexes. We propose that these complexes may modulate
fim3
expression under inducing conditions and facilitate rapid repression of the
fim3
promoter under noninducing conditions. The ability of a response regulator to activate and repress depending on environmental conditions represents a different paradigm in two-component system regulation.
Dual roles of an
Arabidopsis
ESCRT component FREE1 in regulating vacuolar protein transport and autophagic degradation
Authors: Gao Caiji , Zhuang Xiaohong , Cui Yong , Fu Xi , He Yilin , Zhao Qiong , Zeng Yonglun , Shen Jinbo , Luo Ming , Jiang Liwen
Published: January 2015

Significance

Macroautophagy (hereafter as autophagy) involves the delivery of cytosolic materials via autophagosome upon its fusion with the endosome and lysosome/vacuole. The endosomal sorting complex required for transport (ESCRT) machinery is responsible for the formation of intraluminal vesicles (ILVs) in multivesicular bodies (MVBs) and the sorting of ubiquitinated membrane cargos into MVB ILVs for degradation. Here, we show that, in addition to regulating MVB biogenesis, the plant-specific ESCRT component FYVE domain protein required for endosomal sorting 1 (FREE1) also plays dual roles in vacuolar protein transport and autophagic degradation. FREE1 directly interacts with a plant autophagy regulator SH3 DOMAIN-CONTAINING PROTEIN2 to manipulate the autophagic degradation in plants. Thus, we demonstrate multiple functions of FREE1 and a direct link between the ESCRT machinery and autophagy process in plants.
Structures and characterization of digoxin- and bufalin-bound Na
+
,K
+
-ATPase compared with the ouabain-bound complex
Authors: Laursen Mette , Gregersen Jonas Lindholt , Yatime Laure , Nissen Poul , Fedosova Natalya U.
Published: January 2015

Significance

Na
+
,K
+
-ATPase is the ion pump responsible for maintenance of the electrochemical gradients of Na
+
and K
+
across the membrane of animal cells. Cardiotonic steroids constitute a broad class of specific Na
+
,K
+
-ATPase inhibitors, including drugs of clinical importance with multiple physiological effects. The existence of several endogenous cardiotonic steroids suggests their involvement in health and disease mediated by various signaling pathways, but the structure–activity relationships are not yet understood. Using X-ray crystallography and analysis of binding kinetics, we characterize Na
+
,K
+
-ATPase complexes with a total of five cardiotonic steroids, showing variations in glycosylation, steroid core substituents, and structure of the lactone substituent. This insight is highly relevant for the understanding of physiological effects and future drug development based on cardiotonic steroids.
Optical antenna enhanced spontaneous emission
Authors: Eggleston Michael S. , Messer Kevin , Zhang Liming , Yablonovitch Eli , Wu Ming C.
Published: January 2015

Significance

Since the invention of the laser over 50 y ago, stimulated emission has been stronger and far more important than spontaneous emission, the ordinary light we are accustomed to. Indeed spontaneous emission has been looked down upon as a weak effect. Now a new science of enhanced spontaneous emission is emerging that makes spontaneous emission faster than stimulated emission. This new science depends upon the use of optical antennas to increase the spontaneous emission rate. Antennas emerged at the dawn of radio for concentrating electromagnetic energy to a small volume. Despite the importance of radio antennas, 100 y went by before optical antennas began to be used to help extract optical frequency radiation from very small sources such as dye molecules and quantum dots.
Membranes serve as allosteric activators of phospholipase A
2
, enabling it to extract, bind, and hydrolyze phospholipid substrates
Authors: Mouchlis Varnavas D. , Bucher Denis , McCammon J. Andrew , Dennis Edward A.
Published: January 2015

Significance

The catalytic mechanisms of interfacial enzymes acting directly on the interfacial surface of the membrane are notoriously difficult to study experimentally with X-ray crystallography and other biophysical methods. This scientific study is, to our knowledge, the first to highlight similarities and differences in the extraction and binding of a phospholipid molecule into the substrate binding pocket of two human phospholipases A
2
(PLA
2
s): the cytosolic Group IVA cPLA
2
and the calcium-independent Group VIA iPLA
2
. Molecular dynamics simulations, guided by deuterium exchange experiments, are used to show that pathways to the active sites of these PLA
2
s are opened upon allosteric interaction with the membrane to facilitate entry of the substrate lipid. These enzymes are involved in various diseases, and understanding their mechanisms will aid in the discovery of therapeutics.
A novel assay reveals preferential binding between Rabs, kinesins, and specific endosomal subpopulations
Authors: Bentley Marvin , Decker Helena , Luisi Julie , Banker Gary
Published: January 2015

Identifying the proteins that regulate vesicle trafficking is a fundamental problem in cell biology. In this paper, we introduce a new assay that involves the expression of an FKBP12-rapamycin–binding domain–tagged candidate vesicle-binding protein, which can be inducibly linked to dynein or kinesin. Vesicles can be labeled by any convenient method. If the candidate protein binds the labeled vesicles, addition of the linker drug results in a predictable, highly distinctive change in vesicle localization. This assay generates robust and easily interpretable results that provide direct experimental evidence of binding between a candidate protein and the vesicle population of interest. We used this approach to compare the binding of Kinesin-3 family members with different endosomal populations. We found that KIF13A and KIF13B bind preferentially to early endosomes and that KIF1A and KIF1Bβ bind preferentially to late endosomes and lysosomes. This assay may have broad utility for identifying the trafficking proteins that bind to different vesicle populations.