bluuebunny/crossref_metadata_2025 huggingface dataset:
The origin of the Northern Subject Rule: subject positions and verbal morphosyntax in older English
Authors: DE HAAS NYNKE , VAN KEMENADE ANS
Published: November 2014

This article presents new evidence for the early history of the Northern Subject Rule in the form of an exhaustive corpus study of plural present-tense indicative verb forms in Northern and Northern Midlands early Middle English, analysed in relation to their syntactic context, including subject type and subject–verb adjacency. We show that variation between-∅/e/nand-sendings was conditioned by both subject type and adjacency in a core area around Yorkshire, whereas in more peripheral areas, the adjacency condition was weaker and often absent.

We present an analysis of these facts in relation to the presence of multiple subject positions in early English, which we show contra earlier literature to be relevant for Northern English as well, We view-∅/e/nendings as ‘true’ agreement, which in the relevant dialects is limited to contexts with pronominal subjects in a high subject position, Spec,AgrSP; other forms of agreement (-sor-th) represent default inflection occurring elsewhere. This analysis supports the hypothesis that the NSR arose when the extant morphological variation in Northern Old English was reanalysed as an effect of pre-existing multiple subject positions.
Differences in Language Exposure and its Effects on Memory Flexibility in Monolingual, Bilingual, and Trilingual Infants
Authors: BRITO NATALIE H. , SEBASTIÁN-GALLÉS NÚRIA , BARR RACHEL
Published: November 2014

Bilingual advantages in memory flexibility, indexed using a memory generalization task, have been reported (Brito & Barr, 2012; 2014), and the present study examines what factors may influence memory performance. The first experiment examines the role of language similarity; bilingual 18-month-old infants exposed to two similar languages (Spanish–Catalan) or two more different (English–Spanish) languages were tested on a memory generalization task and compared to monolingual 18-month-olds. The second experiment compares performance by trilingual 18-month-olds to monolingual and bilingual infants’ performance from the first experiment. The bilingual advantage in memory flexibility was robust; both bilingual groups outperformed the monolingual groups, with no significant differences between bilingual groups. Interestingly, an advantage was not found for infants exposed to three languages. These findings demonstrate early emerging differences in memory flexibility, and have important implications for our understanding of how early environmental variations shape the trajectory of memory development.
FURTHER RESULTS ON VANISHING COEFFICIENTS IN INFINITE PRODUCT EXPANSIONS
Authors: MC LAUGHLIN JAMES
Published: November 2014

We extend results of Andrews and Bressoud [‘Vanishing coefficients in infinite product expansions’, J. Aust. Math. Soc. Ser. A27(2) (1979), 199–202] on the vanishing of coefficients in the series expansions of certain infinite products. These results have the form that if $$\begin{eqnarray}\frac{(q^{r-tk},q^{mk-(r-tk)};q^{mk})_{\infty }}{(\pm q^{r},\pm q^{mk-r};q^{mk})_{\infty }}=:\mathop{\sum }_{n=0}^{\infty }c_{n}q^{n}\end{eqnarray}$$ for certain integers $k$, $m$, $s$ and $t$, where $r=sm+t$, then $c_{kn-rs}$ is always zero. Our theorems also partly give a simpler reformulation of results of Alladi and Gordon [‘Vanishing coefficients in the expansion of products of Rogers–Ramanujan type’, in: The Rademacher Legacy to Mathematics (University Park, PA, 1992), Contemporary Mathematics, 166 (American Mathematical Society, Providence, RI, 1994), 129–139], but also give results for cases not covered by the theorems of Alladi and Gordon. We also give some interpretations of the analytic results in terms of integer partitions.
Overlooked and underserved: Widowed fathers with dependent-age children
Authors: Yopp Justin M. , Park Eliza M. , Edwards Teresa , Deal Allison , Rosenstein Donald L.
Published: November 2014

Objective:

Widowed fathers and their children are at heightened risk for poor coping and maladaptive psychosocial outcomes. This exploratory study is the first to explicitly examine the psychological characteristics of this population of fathers.

Method:

Some 259 fathers (mean age = 46.81; 90% Caucasian) with dependent-age children and whose wives had died from cancer within the previous five years completed a web-based survey that consisted of demographic questions, the Center for Epidemiologic Studies Depression Scale (CES–D), the Texas Inventory of Grief–Revised (TRIG–R), the Psychological Adaptation Scale (PAS), the Kansas Parental Satisfaction Scale (KPSS), and items assessing perceived parental efficacy.

Results:

Fathers were found to have elevated depressive (CES–D mean = 22.6) and grief (TRIG–R mean = 70.3) symptomatology, low adaptation (PAS mean = 3.2), and high levels of stress related to their parenting role. They reported being satisfied with their parenting (KPSS mean = 15.8) and having met their own parental expectations. Multivariate analyses revealed an association between father's age and depression (p = <0.01), with younger fathers reporting greater depressive symptoms. Psychological adaptation was positively correlated with being in a romantic relationship (p = 0.02) and age of oldest child (p = 0.02).

Significance of results:

The results of our exploratory study suggest that, while widowed fathers perceive themselves as meeting their parental responsibilities, it comes at a substantial psychological cost, with particularly high stress related to being a sole parent. These findings may help guide interventions for this neglected population and underscore the importance of developing targeted therapies and research protocols to address their needs.
Arousal and Habituation Effects (Excitability) on Startle Responses to the International Affective Picture Systems (IAPS)
Authors: Balada Ferran , Blanch Angel , Aluja Anton
Published: November 2014

The magnitude and habituation of startle reflex responses have been used to evaluate the excitability of the neural structures involved in this psychophysiological response. We analyzed the magnitude and habituation responses to startle reflex probes in 112 women. Results confirmed the modulation of eyeblink reflex by affective valence for arousing (F = 34.79, p < .001), but not for nonarousing pictures (F = 1.08, ns). Our results indicate that there is a linear adjustment for habituation in all picture groups, except for arousing unpleasant pictures where there is a quadratic adjustment that could be due to initial sensitization followed by the subsequent habituation. Multiple linear regression analysis revealed that the startle magnitude was partially determined by arousal and startle presentation order. In conclusion, our results emphasize the usefulness of arousing pictures to study startle reflex response and show evidence of different response mechanisms for pleasant and unpleasant pictures conditions.
A Comorbid Major Depression in Patients with Panic Disorder Affects the HPA Axis Response in the DEX-CRH Test
Authors: Petrowski Katja , Wintermann Gloria-Beatrice , Kirschbaum Clemens , Bornstein Stefan R.
Published: November 2014

Panic disorder (PD) has been associated with an altered reactivity of the hypothalamic-pituitary-adrenocortical (HPA) system in the dexamethasone-corticotropin-releasing-hormone (DEX-CRH) test. Recent findings showed that the duration of the PD and the severity of psychopathology are prominent moderators of the HPA-axis reactivity under hormonal stress induction. As major depression (MD) often occurs as comorbidity in patients with PD, a secondary MD might influence the reactivity of HPA-axis in the DEX-CRH test. For this study, the DEX-CRH test was implemented to observe the adreno-corticotropin-hormone (ACTH) and the cortisol release. The sample included 20 patients diagnosed with PD (mean age = 32.20 years, SD = 9.98), 20 patients with PD and comorbid MD (mean age = 37.63 years, SD = 11.31) in a Structured Clinical Interview (SCID), and 20 healthy controls (mean age = 31.97 years, SD = 10.53) matched by age and gender. The ACTH and the cortisol release increased significantly in all three groups due to the CRH injection (p < .001). The two anxiety patient groups differed in the cortisol response pattern, however, not in the ACTH. Patients with pure PD showed a lower CRH-induced cortisol release than healthy controls (p < .038) and patients with a comorbid major depression (p = .001); the latter showed the highest cortisol release in DEX-CRH test. Duration (AUCg: r = .353, p = .030; AUCi: r = .339, p = .037) and severity of psychopathology (AUCg: r = .496, p = .026; AUCi: r = .463, p = .040) significantly correlated with the cortisol release. Patients with/without comorbid MD showed some dissociation between the central and the peripheral HPA-axis functionality under the DEX-CRH test. Furthermore, it seems that a secondary depressive disorder is the decisive factor in explaining an increased reactivity of HPA-axis in patients with PD.
A Dual-Task Paradigm to Study the Interference Reduction in the Simon Task
Authors: Suarez Isabel , Vidal Franck , Burle Boris , Casini Laurence
Published: November 2014

Analyzing RT distributions in the Simon task reveals that congruency effects decrease for the longest RTs. Four experiments were carried out to examine whether this decrease of the congruency effect with response speed was under a top-down control or due to bottom-up mechanisms. We specifically manipulated the availability of attentional resources by requiring participants to perform a Simon task concurrently to different secondary tasks. RT distribution analysis (in particular delta functions) was performed under both single-task and dual-task conditions. Results show that the reduction of the interference effect with time could be affected when the Simon task was performed concurrently with a secondary task. Nonetheless, the type of the secondary task seems to be a critical factor. Therefore, the data suggest that the mechanisms responsible for the reduction of the interference effect with time are under some attentional control but the exact nature of these mechanisms remains to be explored.
Desire to Work as a Death Anxiety Buffer Mechanism
Authors: Yaakobi Erez
Published: November 2014

Four studies were conducted to examine the death anxiety buffering function of work as a terror management mechanism, and the possible moderating role of culture. In Study 1, making mortality salient led to higher reports of participants’ desire to work. In Study 2, activating thoughts of fulfillment of the desire to work after mortality salience reduced the accessibility of death-related thoughts. In Study 3, activating thoughts of fulfillment of the desire to work reduced the effects of mortality salience on out-group derogation. In Study 4, priming thoughts about obstacles to the actualization of desire to work led to greater accessibility of death-related thoughts. Although two different cultures with contrasting work values were examined, the results were consistent, indicating that the desire to work serves as a death anxiety buffer mechanism in both cultures.
Evolution of species interactions determines microbial community productivity in new environments
Authors: Fiegna Francesca , Moreno-Letelier Alejandra , Bell Thomas , Barraclough Timothy G
Published: November 2014

Diversity generally increases ecosystem productivity over short timescales. Over longer timescales, both ecological and evolutionary responses to new environments could alter productivity and diversity–productivity relationships. In turn, diversity might affect how component species adapt to new conditions. We tested these ideas by culturing artificial microbial communities containing between 1 and 12 species in three different environments for ∼60 generations. The relationship between community yields and diversity became steeper over time in one environment. This occurred despite a general tendency for the separate yields of isolates of constituent species to be lower at the end if they had evolved in a more diverse community. Statistical comparisons of community and species yields showed that species interactions had evolved to be less negative over time, especially in more diverse communities. Diversity and evolution therefore interacted to enhance community productivity in a new environment.
Structural basis for extracellular cis and trans RPTPσ signal competition in synaptogenesis
Authors: Coles Charlotte H. , Mitakidis Nikolaos , Zhang Peng , Elegheert Jonathan , Lu Weixian , Stoker Andrew W. , Nakagawa Terunaga , Craig Ann Marie , Jones E. Yvonne , Aricescu A. Radu
Published: November 2014

Receptor protein tyrosine phosphatase sigma (RPTPσ) regulates neuronal extension and acts as a presynaptic nexus for multiple protein and proteoglycan interactions during synaptogenesis. Unknown mechanisms govern the shift in RPTPσ function, from outgrowth promotion to synaptic organization. Here, we report crystallographic, electron microscopic and small-angle X-ray scattering analyses, which reveal sufficient inter-domain flexibility in the RPTPσ extracellular region for interaction with bothcis(same cell) andtrans(opposite cell) ligands. Crystal structures of RPTPσ bound to its postsynaptic ligand TrkC detail an interaction surface partially overlapping the glycosaminoglycan-binding site. Accordingly, heparan sulphate and heparin oligomers compete with TrkC for RPTPσ bindingin vitroand disrupt TrkC-dependent synaptic differentiation in neuronal co-culture assays. We propose that transient RPTPσ ectodomain emergence from the presynaptic proteoglycan layer allows capture by TrkC to form a trans-synaptic complex, the consequent reduction in RPTPσ flexibility potentiating interactions with additional ligands to orchestrate excitatory synapse formation.
Ratiometric fluorescence detection of cysteine and homocysteine with a BODIPY dye by mimicking the native chemical ligation
Authors: Ma Dong Hee , Kim Dokyoung , Seo Eunseok , Lee Sang-Joon , Ahn Kyo Han
Published: November 2014

The ratiometric fluorescence detection of cysteine and homocysteine over glutathione has been realized with a BODIPY-based probe.
Ultrafast double-quantum NMR spectroscopy
Authors: Guennec Adrien Le , Giraudeau Patrick , Caldarelli Stefano , Dumez Jean-Nicolas
Published: November 2014

The acquisition of double-quantum NMR spectra in less than three seconds is demonstrated and the synergies between double-quantum and ultrafast NMR spectroscopy for the analysis of complex mixtures are illustrated.
Formation of a quasi-solid structure by intercalated noble gas atoms in pores of CuI-MFU-4l metal–organic framework
Authors: Magdysyuk Oxana V. , Denysenko Dmytro , Weinrauch Ingrid , Volkmer Dirk , Hirscher Michael , Dinnebier Robert E.
Published: November 2014

Ten crystallographically different positions for Xe and eight positions for Kr form a quasi-solid structures within the large-pore metal–organic framework CuI-MFU-4l.
Redox-responsive degradable honeycomb manganese oxide nanostructures as effective nanocarriers for intracellular glutathione-triggered drug release
Authors: He Dinggeng , He Xiaoxiao , Wang Kemin , Yang Xue , Yang Xiaoxiao , Zou Zhen , Li Xuecai
Published: November 2014

Redox-responsive degradable honeycomb manganese oxide (hMnO2) nanostructures consisting of some lamellar MnO2 platelets were established as a new class of drug carriers for efficient intracellular GSH-triggered drug release.
An efficient route to highly enantioenriched tetrahydroazulenes and β-tetralones by desymmetrization reactions of δ,δ-diaryldiazoaceto-acetates
Authors: Liu Yuxiao , Deng Yongming , Zavalij Peter Y. , Liu Renhua , Doyle Michael P.
Published: November 2014

Highly stereoselective desymmetrization reactions of diaryldiazoketoesters catalyzed by chiral dirhodium carboxylates form Buchner reaction products that rearrange to β-tetralones.
Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
Authors: Fang Qi , Chen Hong-feng , Lei Hong , Xue Gang , Chen Xia
Published: November 2014

Highly π-conjugated multi-sulfur molecules are tightly packed forming single-component organic crystals with remarkable conductivity.
The electron depolarization during dynamic nuclear polarization: measurements and simulations
Authors: Hovav Y. , Kaminker I. , Shimon D. , Feintuch A. , Goldfarb D. , Vega S.
Published: November 2014

Measurements and simulations of the electron spin polarization along the EPR spectrum of TEMPOL and trityl radicals, under DNP conditions.
A monomeric [Zr(CO3)4]4− complex in an ammonium zirconium carbonate aqueous solution studied by extended X-ray absorption fine structure, Raman and nuclear magnetic resonance spectroscopy
Authors: Takasaki Fumiyuki , Fujiwara Kazuhiko , Nakajima Yasushi , Nishikawa Taku , Masu Hyuma , Imanari Mamoru , Hidaka Yuki , Ogawa Nobuaki
Published: November 2014

A monomeric complex, [Zr(CO3)4]4−, is able to exist under certain conditions.
Cyclic trinuclear copper(i), silver(i), and gold(i) complexes: a theoretical insight
Authors: Caramori Giovanni F. , Piccoli Rafael M. , Segala Maximiliano , Muñoz-Castro Alvaro , Guajardo-Maturana Raul , Andrada Diego M. , Frenking Gernot
Published: November 2014

Analysis of the bonding and magnetic response in ligand supported coinage metal macrocycles.
Atmospheric 210Pb as a tracer for soil organic carbon transport in a coniferous forest
Authors: Teramage Mengistu T. , Onda Yuichi , Wakiyama Yoshifumi , Kato Hiroaki , Kanda Takashi , Tamura Kenji
Published: November 2014

Core soils and falling litter samples were collected in a Japanese cypress forest (Chamaecyparis obtusa) to determine the litter-fed 210Pbex and organic carbon transfer from the forest canopy to soil and their subsequent distribution; and designated as Inverted U-shape Model.
Partial nitritation ANAMMOX in submerged attached growth bioreactors with smart aeration at 20 °C
Authors: Shannon James M. , Hauser Lee W. , Liu Xikun , Parkin Gene F. , Mattes Timothy E. , Just Craig L.
Published: November 2014

Smart-aerated submerged attached growth bioreactors perform partial nitritation ANAMMOX at 20 °C.
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
Authors: Nenov Artur , Segarra-Martí Javier , Giussani Angelo , Conti Irene , Rivalta Ivan , Dumont Elise , Jaiswal Vishal K. , Altavilla Salvatore Flavio , Mukamel Shaul , Garavelli Marco
Published: November 2014

The SOS//QM/MM [Rivalta et al., Int. J. Quant. Chem., 2014, 114, 85] method consists of an arsenal of computational tools allowing accurate simulation of one-dimensional (1D) and bi-dimensional (2D) electronic spectra of monomeric and dimeric systems with unprecedented details and accuracy. Prominent features like doubly excited local and excimer states, accessible in multi-photon processes, as well as charge-transfer states arise naturally through the fully quantum-mechanical description of the aggregates. In this contribution the SOS//QM/MM approach is extended to simulate time-resolved 2D spectra that can be used to characterize ultrafast excited state relaxation dynamics with atomistic details. We demonstrate how critical structures on the excited state potential energy surface, obtained through state-of-the-art quantum chemical computations, can be used as snapshots of the excited state relaxation dynamics to generate spectral fingerprints for different de-excitation channels. The approach is based on high-level multi-configurational wavefunction methods combined with non-linear response theory and incorporates the effects of the solvent/environment through hybrid quantum mechanics/molecular mechanics (QM/MM) techniques. Specifically, the protocol makes use of the second-order Perturbation Theory (CASPT2) on top of Complete Active Space Self Consistent Field (CASSCF) strategy to compute the high-lying excited states that can be accessed in different 2D experimental setups. As an example, the photophysics of the stacked adenine–adenine dimer in a double-stranded DNA is modeled through 2D near-ultraviolet (NUV) spectroscopy.
Selective catalytic oxidation of sugar alcohols to lactic acid
Authors: Manas Michael G. , Campos Jesús , Sharninghausen Liam S. , Lin Elisa , Crabtree Robert H.
Published: November 2014

Homogeneous iridium catalysts are reported for the highly efficient and selective conversion of polyols to hydrogen gas and lactic acid.
Advantages of reaction cell ICP-MS on doubly charged interferences for arsenic and selenium analysis in foods
Authors: Jackson Brian P. , Liba Amir , Nelson Jenny
Published: November 2014

Recent reports of As concentrations in certain food and drinks have garnered public concern and led to a lowering of the US guideline maximum concentration for inorganic As in apple juice and proposed limits for As in rice products.
The spontaneous room temperature reduction of HAuCl4 in ethylene glycol in the presence of ZnO: a simple strategy to obtain stable Au/ZnO nanostructures exhibiting strong surface plasmon resonance and efficient electron storage properties
Authors: Aguirre Matías E. , Perelstein Gonzalo , Feldhoff Armin , Condó Adriana , Tolley Alfredo J. , Grela María A.
Published: November 2014

The spontaneous reduction of HAuCl4 in ethylene glycol in the presence of pre-formed ZnO nanoparticles at room temperature leads to Au/ZnO nanostructures with a sharp plasmonic band and enhanced electron accumulation capability
Cationic dialkylarylphosphates: a new family of bio-inspired cationic lipids for gene delivery
Authors: Le Corre Stéphanie S. , Belmadi Nawal , Berchel Mathieu , Le Gall Tony , Haelters Jean-Pierre , Lehn Pierre , Montier Tristan , Jaffrès Paul-Alain
Published: November 2014

The synthesis of mono- and di-cationic lipophosphates is reported. These cationic lipids were formulated as liposomal solutions, and their capacity to transfect cells was evaluated on three cell lines.
Fast and effective inactivation of Bacillus atrophaeus endospores using light-activated derivatives of vitamin B2
Authors: Eichner Anja , Gollmer Anita , Späth Andreas , Bäumler Wolfgang , Regensburger Johannes , König Burkhard , Maisch Tim
Published: November 2014

Highly resistant endospores may cause severe problems in medicine as well as in the food and packaging industries. We found that bacterial endospores can be inactivated quickly with reactive oxygen species (ROS) that were generated by a new generation of flavin photosensitizers. Flavins like the natural compound vitamin B2 are already known to produce ROS but they show a poor antimicrobial photodynamic killing efficacy due to the lack of positive charges. Therefore we synthesized new flavin photosensitizers that have one (FLASH-01a) or eight (FLASH-07a) positive charges and can hence attach to the negatively charged surface of endospores. In this study we used standardized Bacillus atrophaeus endospores (ATCC 9372) as a biological surrogate model for a proof-of-concept study of photodynamic inactivation experiments using FLASH-01a and FLASH-07a. After incubation of spores with different flavin concentrations, the flavin derivatives were excited with blue light at a light dose of 70 J cm−2. The inactivation of spores was investigated either in suspension or after attachment to polyethylene terephthalate (PET) surfaces. Incubation of spores suspended in Millipore water with 4 mM FLASH-01a for 10 seconds and irradiation with blue light for 10 seconds caused a biologically relevant decrease of spore survival of 3.5 log10 orders. Using FLASH-07a under the same conditions we achieved a decrease of 4.4 log10 orders. Immobilized spores on PET surfaces were efficiently killed with 7.0 log10 orders using 8 mM FLASH-07a. The total treatment time (incubation + irradiation) was as short as 20 seconds. The results of this study show evidence that endospores can be fastly and effectively inactivated with new generations of flavin photosensitizers that may be useful for industrial or medical applications in the future.
Facile synthesis of self-host functional iridium dendrimers up to the fourth generation with N-phenylcarbazole-based polyether dendrons for non-doped phosphorescent organic light-emitting diodes
Authors: Wang Yang , Wang Shumeng , Zhao Nan , Gao Baoxiang , Shao Shiyang , Ding Junqiao , Wang Lixiang , Jing Xiabin , Wang Fosong
Published: November 2014

Self-host functional iridium dendrimers with N-phenylcarbazole-based polyether dendrons.
Microneedle-assisted dendritic cell-targeted nanoparticles for transcutaneous DNA immunization
Authors: Hu Ying , Xu Beihua , Xu Jiaojiao , Shou Dan , Liu Ergang , Gao Jianqing , Liang Wenquan , Huang Yongzhuo
Published: November 2014

Transcutaneous DNA immunization with microneedle-assisted dendritic cell-targeted nanoparticles is an attractive strategy for cancer immunotherapy.
Metal-free in situ sp3, sp2, and sp C–H functionalization and oxidative cross coupling with benzamidines hydrochloride: a promising approach for the synthesis of α-ketoimides
Authors: Kalmode Hanuman P. , Vadagaonkar Kamlesh S. , Chaskar Atul C.
Published: November 2014

A new metal-free tandem protocol for the synthesis of α-ketoimides via sp3, sp2, and sp C–H functionalization followed by oxidative cross coupling with benzamidines hydrochloride using catalytic iodine with TBHP in DMSO has been developed.
Radical initiator modified cerium oxide nanoparticles for polymer encapsulation via grafting from the surface
Authors: Salazar-Sandoval Eric Johansson , Aguirre Miren , Paulis María , Leiza José R. , Johansson Mats , Ahniyaz Anwar
Published: November 2014

The present paper describes a versatile route to modify and stabilize ceria nanoparticles with a radical initiator, 4,4′-azobis(4-cyanovaleric acid) (ACVA), allowing a strong interface to be formed via grafting of polymers from the surface.
Nanodelivery of parthenolide using functionalized nanographene enhances its anticancer activity
Authors: Karmakar A. , Xu Y. , Mustafa T. , Kannarpady G. , Bratton S. M. , Radominska-Pandya A. , Crooks P. A. , Biris A. S.
Published: November 2014

We present the delivery of parthenolide by graphene into pancreatic cancer cells with enhanced anticancer activity.
Correlation between hardness and pressure of CrB4
Authors: Pan Y. , Lin Y. H. , Wen M. , Meng Q. N.
Published: November 2014

The correlation between hardness and pressure for two different structures of CrB4 is investigated by a first-principles approach.
Monitoring analgesic drug using sensing method based on nanocomposite
Authors: Narang Jagriti , Malhotra Nitesh , Singh Sandeep , Singh Gajendra , Pundir C. S.
Published: November 2014

This paper reports a rapid, reliable and sensitive electrochemical method for the determination of acetaminophen, a safe analgesic drug.
Is it ATRP or SET-LRP? part I: Cu0&CuII/PMDETA – mediated reversible – deactivation radical polymerization
Authors: Gao Yongsheng , Zhao Tianyu , Wang Wenxin
Published: November 2014

The mechanism of Cu0&CuII/PMDETA catalyzed polymerization is attributed to the competition and equilibrium of the traditional ATRP and SET-LRP models.
Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
Authors: Peng Wei , Ko Tzu-Ping , Yang Yunyun , Zheng Yingying , Chen Chun-Chi , Zhu Zhen , Huang Chun-Hsiang , Zeng Yi-Fang , Huang Jian-Wen , Wang Andrew H.-J. , Liu Je-Ruei , Guo Rey-Ting
Published: November 2014

The mycotoxin zearalenone binds to a deep pocket of the dimeric lactonase in a bent conformation, revealing specific enzyme–substrate interactions.
Polymer composite random lasers based on diatom frustules as scatterers
Authors: Lamastra Francesca Romana , De Angelis Roberta , Antonucci Alessandra , Salvatori Damiano , Prosposito Paolo , Casalboni Mauro , Congestri Roberta , Melino Sonia , Nanni Francesca
Published: November 2014

Diatom frustules exhibiting unique micro- and nano-porous architectures (a) were used for the first time as scatterers in random lasers. An incoherent random lasing effect was observed (b).
Laser-induced cross-linking GFP-AcmA′ bioprobe for screening Gram-positive bacteria on a biochip
Authors: Lin Chuen-Fu , Lin Che-Kuan , Liu Yi-Jui , Chiang Chung-Han , Pan Ming-Jeng , Baldeck Patrice P. , Lin Chih-Lang
Published: November 2014

Serviceable bioprobes, fabricated by laser-induced cross-linking technology, for simple and direct screening of Gram-positive bacteria on a biochip.
Graphene film growth on sputtered thin Cu–Ni alloy film by inductively coupled plasma chemical vapor deposition
Authors: Kim Eunho , Kim Yong Seung , Park Jaehyun , Hussain Sajjad , Chun Seung-Hyun , Kim Seong Jun , An Ki-Seok , Lee Won-Jun , Lee Wan-Gyu , Jung Jongwan
Published: November 2014

Graphene film growth on a Cu–Ni alloy thin film with various alloy compositions is reported in this paper.
Graphene and its nanocomposite material based electrochemical sensor platform for dopamine
Authors: Pandikumar Alagarsamy , Soon How Gregory Thien , See Teo Peik , Omar Fatin Saiha , Jayabal Subramaniam , Kamali Khosro Zangeneh , Yusoff Norazriena , Jamil Asilah , Ramaraj Ramasamy , John Swamidoss Abraham , Lim Hong Ngee , Huang Nay Ming
Published: November 2014

In this review, the recent progress in the electrochemical sensing of dopamine with various graphene and their nanocomposite materials modified electrodes are presented.
Improving the thermoelectric performance of TiNiSn half-Heusler via incorporating submicron lamellae eutectic phase of Ti70.5Fe29.5: a new strategy for enhancing the power factor and reducing the thermal conductivity
Authors: Bhardwaj A. , Misra D. K.
Published: November 2014

The concept of composite derived by incorporating a metallic submicron lamellae eutectic phase of Ti70.5Fe29.5 into HH TiNiSn matrix is extended for the first time to optimize its thermoelectric performance.
Lithium–sulfur batteries: from liquid to solid cells
Authors: Lin Zhan , Liang Chengdu
Published: November 2014

This review article gives insights on the current status and future perspectives of the lithium–sulfur battery technology.
Shape effects of cuprous oxide particles on stability in water and photocatalytic water splitting
Authors: Kwon Yongwoo , Soon Aloysius , Han Haksoo , Lee Hyunjoo
Published: November 2014

The stability of different shapes of cuprous oxides was tested in deionized water with or without light irradiation. The morphology was degraded by the formation of CuO at the surface differently with each shape. TiIrOx-coated Cu2O particles presented improved stability for overall water splitting producing hydrogen and oxygen.
Noble-metal-free NiFeMo nanocatalyst for hydrogen generation from the decomposition of hydrous hydrazine
Authors: Wang Hong-Li , Yan Jun-Min , Li Si-Jia , Zhang Xue-Wei , Jiang Qing
Published: November 2014

Noble-metal-free NiFeMo has been applied as an efficient catalyst for the rapid and complete decomposition of hydrous hydrazine for hydrogen generation.
Selective carbon dioxide adsorption of ε-Keggin-type zincomolybdate-based purely inorganic 3D frameworks
Authors: Zhang Zhenxin , Sadakane Masahiro , Noro Shin-ichiro , Murayama Toru , Kamachi Takashi , Yoshizawa Kazunari , Ueda Wataru
Published: November 2014

The new ε-Keggin POM-based frameworks effectively separate CO2 from a CO2/CH4 mixture.
Cyclodextrin-functionalized hollow carbon nanospheres by introducing nanogold for enhanced electrochemical sensing of o-dihydroxybenzene and p-dihydroxybenzene
Authors: Zhu Gangbing , Yi Yinhui , Sun Heng , Wang Kun , Han Zhixiang , Wu Xiangyang
Published: November 2014

A cyclodextrin–gold nanoparticles/hollow carbon nanospheres nanohybrid was prepared for the sensitive simultaneous electrochemical sensing of o- and p-dihydroxybenzene.
Interplay between Ag and interstitial Mg on the p-type characteristics of Ag-doped Mg2Si: challenges for high hole conductivity
Authors: Han Xiaoping , Shao Guosheng
Published: November 2014

The formation of linear cluster Ag–Mgint–Ag in the 〈111〉 direction explains the difficulty in achieving high hole conductivity in Ag-doped Mg2Si.
Chemical vapour deposition of antimony chalcogenides with positional and orientational control: precursor design and substrate selectivity
Authors: Benjamin S. L. , de Groot C. H. , Hector A. L. , Huang R. , Koukharenko E. , Levason W. , Reid G.
Published: November 2014

A series of alkylchalcogenostibines have been synthesised and employed as precursors for the chemical vapour deposition of Sb2Te3 and Sb2Se3. Variations in substrate and temperature give different film morphologies, and patterned arrays can be deposited using substrate selectivity.
New aspects of the structure and mode of action of the human cathelicidin LL-37 revealed by the intrinsic probe p-cyanophenylalanine
Authors: Xhindoli Daniela , Morgera Francesca , Zinth Ursula , Rizzo Roberto , Pacor Sabrina , Tossi Alessandro
Published: November 2014

The human cathelicidin peptide LL-37 is an important effector of our innate immune system and contributes to host defence with direct antimicrobial activity and immunomodulatory properties, and by stimulating wound healing. Its sequence has evolved to confer specific structural characteristics that strongly affect these biological activities, and differentiate it from orthologues of other primate species. In the present paper we report a detailed study of the folding and self-assembly of this peptide in comparison with rhesus monkey peptide RL-37, taking into account the different stages of its trajectory from bulk solution to contact with, and insertion into, biological membranes. Phenylalanine residues in different positions throughout the native sequences of LL-37 and RL-37 were systematically replaced with the non-invasive fluorescent and IR probe p-cyanophenylalanine. Steady-state and time-resolved fluorescence studies showed that LL-37, in contrast to RL-37, forms oligomers with a loose hydrophobic core in physiological solutions, which persist in the presence of biological membranes. Fourier transform IR and surface plasmon resonance studies also indicated different modes of interaction for LL-37 and RL-37 with anionic and neutral membranes. This correlated with a distinctly different mode of bacterial membrane permeabilization, as determined using a flow cytometric method involving impermeant fluorescent dyes linked to polymers of defined sizes.
Circulating Toll-like receptor 4-responsive microRNA panel in patients with coronary artery disease: results from prospective and randomized study of treatment with renin–angiotensin system blockade
Authors: Satoh Mamoru , Takahashi Yuji , Tabuchi Tsuyoshi , Tamada Makiko , Takahashi Kan , Itoh Tomonori , Morino Yoshihiro , Nakamura Motoyuki
Published: November 2014

The extracellular miRNAs circulate in the bloodstream and may serve as novel diagnostic and therapeutic biomarkers. The aim of the present study was to investigate circulating Toll-like receptor 4 (TLR4)-responsive miRNA expression in patients with coronary artery disease (CAD) and to examine the effects of renin–angiotensin system (RAS) blockade and statins on miRNA levels. This study included 41 patients with CAD and 20 subjects without CAD (non-CAD). Plasma TLR4-responsive miRNA samples were analysed using a microarray assay for 1700 human miRNA. The candidate miRNAs were verified with real-time reverse transcription (RT)-PCR. Patients with CAD were randomized to 12 months of combined treatment with either telmisartan and atorvastatin [angiotensin II receptor blocker (ARB)] or enalapril and atorvastatin [angiotensin-converting enzyme inhibitor (ACEI)]. Plasma samples were obtained from peripheral blood at baseline and after 12 months. The microarray assay showed significant differences in seven TLR4-responsive miRNAs between the CAD and non-CAD groups (P<0.05). Real-time PCR verified that miR-31, miR-181a, miR-16 and miR-145 were significantly lower in the CAD group than in the non-CAD group (P<0.01). Levels of TLR4 protein were higher in the CAD group than in the non-CAD group (P<0.01) and were negatively correlated with levels of TLR4-responsive miRNAs. Receiver operating characteristic (ROC) curve analysis revealed that a panel of these four miRNAs was sensitive and specific enough to distinguish CAD from non-CAD [area under the curve (AUC)=0.93, 95% CI (confidence interval)=0.99–0.87]. Both ARB and ACEI groups showed increased TLR4-responsive miRNAs and diminished levels of TLR4 protein (P<0.05). Changes in miRNAs and TLR4 levels were greater in the ARB group than in the ACEI group (P<0.05). Circulating TLR4-responsive miRNAs including miR-31, miR-181a, miR-16 and miR-145 were significantly lower in patients with CAD compared with controls and these miRNAs may be involved in the pathogenesis of CAD.
Energy transfer models in nitrogen plasmas: Analysis of $\mathbf {\rm N_2(X\,^1\Sigma _g^+){\mbox{--}}\rm N(^4S_u){\mbox{--}}e^-}$N2(XΣg+1)–N(4Su)–e− interaction
Authors: Heritier K. L. , Jaffe R. L. , Laporta V. , Panesi M.
Published: November 2014

The relaxation of \documentclass[12pt]{minimal}\begin{document}$\rm N_2(X\,^1\Sigma _g^+)$\end{document}N2(XΣg+1) molecules in a background gas composed of \documentclass[12pt]{minimal}\begin{document}$\rm N(^4S_u)$\end{document}N(4Su) atoms and free electrons is studied by using an ideal isochoric and isothermic chemical reactor. A rovibrational state-to-state model is developed to study energy transfer process induced by free electron and atomic collisions. The required cross sections and the corresponding rate coefficients are taken from two well-known kinetic databases: NASA Ames kinetic mechanism for the description of the \documentclass[12pt]{minimal}\begin{document}$\rm N_2(X\,^1\Sigma _g^+)$\end{document}N2(XΣg+1)–\documentclass[12pt]{minimal}\begin{document}$\rm N(^4S_u)$\end{document}N(4Su) processes and the Phys4Entry database for the electron driven processes, \documentclass[12pt]{minimal}\begin{document}$\rm N_2(X\,^1\Sigma _g^+)$\end{document}N2(XΣg+1)–e−. The evolution of the population densities of each individual rovibrational level is explicitly determined via the numerical solution of the master equation for temperatures ranging from 10000 to 30 000 K. It was found that the distribution of the rovibrational energy levels of \documentclass[12pt]{minimal}\begin{document}$\rm N_2(X\,^1\Sigma _g^+)$\end{document}N2(XΣg+1) is strongly influenced by the electron driven collisional processes, which promote the excitation of the low lying vibrational levels. The macroscopic vibrational energy relaxation is governed by the molecule-atom collisions, when free electrons, initially cold are relaxing to the final heat-bath temperature. Thus, the main role of the free electrons is to ensure the equilibration of vibrational and free electron excitation, thus validating the existence of the local equilibrium TV–Te. However, if electrons and heavy particles are assumed to be in equilibrium at the heat bath temperature, electron driven processes dominate the vibrational relaxation. Finally, we have assessed the validity of the Landau-Teller model for the description of the inelastic energy transfer between molecules and free electrons. In the case of free-electron temperatures lower than 10 000 K, Landau-Teller relaxation model gives an accurate description of the vibrational relaxation, while at higher temperatures the error in the predictions can be significant and the model should not be used.
Large femtosecond third-order optical nonlinearity of Bi3.15Nd0.85Ti3O12 ferroelectric thin films
Authors: Li S. , Zhong X. L. , Cheng G. H. , Liu X. , Wang J. B. , Huang J. , Song H. J. , Tan C. B. , Li B. , Zhou Y. C.
Published: November 2014

Both the linear and nonlinear optical properties of Bi3.15Nd0.85Ti3O12 (BNT0.85) ferroelectric thin films deposited on quartz substrates were investigated. The fundamental optical constants were determined as a function of light wavelength by optical transmittance measurements. By performing single-beam Z-scan experiments with femtosecond laser pulses at a wavelength of 800 nm, the two-photon absorption (TPA) coefficient β and third-order nonlinear refraction index γ were measured to be 1.15 × 102 cm/GW and −8.15 × 10−3 cm2/GW, respectively. The large TPA is attributed to an indirect transition process via the intermediate energy levels and the large refractive nonlinearity is the result of the electronic polarization and ferroelectric polarization arisen from the femtosecond midinfrared radiation. The results indicate that the BNT0.85 thin film is a promising candidate for applications in nonlinear photonic devices.
Effect of dispersive long-range corrections to the pressure tensor: The vapour-liquid interfacial properties of the Lennard-Jones system revisited
Authors: Martínez-Ruiz F. J. , Blas F. J. , Mendiboure B. , Moreno-Ventas Bravo A. I.
Published: November 2014

We propose an extension of the improved version of the inhomogeneous long-range corrections of Janeček [J. Phys. Chem. B 110, 6264–6269 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] to account for the intermolecular potential energy of spherical, rigid, and flexible molecular systems, to deal with the contributions to the microscopic components of the pressure tensor due to the dispersive long-range corrections. We have performed Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of spherical Lennard-Jones molecules with different cutoff distances, rc = 2.5, 3, 4, and 5σ. In addition, we have also considered cutoff distances rc = 2.5 and 3σ in combination with the inhomogeneous long-range corrections proposed in this work. The normal and tangential microscopic components of the pressure tensor are obtained using the mechanical or virial route in combination with the recipe of Irving and Kirkwood, while the macroscopic components are calculated using the Volume Perturbation thermodynamic route proposed by de Miguel and Jackson [J. Chem. Phys. 125, 164109 (2006)]. The vapour-liquid interfacial tension is evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the Test-Area methodology. In addition to the pressure tensor and the surface tension, we also obtain density profiles, coexistence densities, vapour pressure, critical temperature and density, and interfacial thickness as functions of temperature, paying particular attention to the effect of the cutoff distance and the long-range corrections on these properties. According to our results, the main effect of increasing the cutoff distance (at fixed temperature) is to sharpen the vapour-liquid interface, to decrease the vapour pressure, and to increase the width of the biphasic coexistence region. As a result, the interfacial thickness decreases, the width of the tangential microscopic component of the pressure tensor profile increases, and the surface tension increases as the cutoff distance is larger. We have also checked the effect of the impulsive contribution to the pressure due to the discontinuity of the intermolecular interaction potential when it is cut. If this contribution is not accounted for in the calculation of the microscopic components of the pressure tensor, incorrect values of both components as well as a wrong structure along the vapour-liquid interface are obtained.
The HCO+–H2 van der Waals interaction: Potential energy and scattering
Authors: Massó H. , Wiesenfeld L.
Published: November 2014

We compute the rigid-body, four-dimensional interaction potential between HCO+ and H2. The ab initio energies are obtained at the coupled-cluster single double triple level of theory, corrected for Basis Set Superposition Errors. The ab initio points are fit onto the spherical basis relevant for quantum scattering. We present elastic and rotationally inelastic coupled channels scattering between low lying rotational levels of HCO+ and para-/ortho-H2. Results are compared with similar earlier computations with He or isotropic para-H2 as the projectile. Computations agree with earlier pressure broadening measurements.
Effect of cantilever geometry on the optical lever sensitivities and thermal noise method of the atomic force microscope
Authors: Sader John E. , Lu Jianing , Mulvaney Paul
Published: November 2014

Calibration of the optical lever sensitivities of atomic force microscope (AFM) cantilevers is especially important for determining the force in AFM measurements. These sensitivities depend critically on the cantilever mode used and are known to differ for static and dynamic measurements. Here, we calculate the ratio of the dynamic and static sensitivities for several common AFM cantilevers, whose shapes vary considerably, and experimentally verify these results. The dynamic-to-static optical lever sensitivity ratio is found to range from 1.09 to 1.41 for the cantilevers studied – in stark contrast to the constant value of 1.09 used widely in current calibration studies. This analysis shows that accuracy of the thermal noise method for the static spring constant is strongly dependent on cantilever geometry – neglect of these dynamic-to-static factors can induce errors exceeding 100%. We also discuss a simple experimental approach to non-invasively and simultaneously determine the dynamic and static spring constants and optical lever sensitivities of cantilevers of arbitrary shape, which is applicable to all AFM platforms that have the thermal noise method for spring constant calibration.
Choppers to optimise the repetition rate multiplication technique on a direct geometry neutron chopper spectrometer
Authors: Vickery A. , Deen P. P.
Published: November 2014

In recent years the use of repetition rate multiplication (RRM) on direct geometry neutron spectrometers has been established and is the common mode of operation on a growing number of instruments. However, the chopper configurations are not ideally optimised for RRM with a resultant 100 fold flux difference across a broad wavelength band. This paper presents chopper configurations that will produce a relative constant (RC) energy resolution and a relative variable (RV) energy resolution for optimised use of RRM. The RC configuration provides an almost uniform ΔE/E for all incident wavelengths and enables an efficient use of time as the entire dynamic range is probed with equivalent statistics, ideal for single shot measurements of transient phenomena. The RV energy configuration provides an almost uniform opening time at the sample for all incident wavelengths with three orders of magnitude in time resolution probed for a single European Spallation Source (ESS) period, which is ideal to probe complex relaxational behaviour. These two chopper configurations have been simulated for the Versatile Optimal Resolution direct geometry spectrometer, VOR, that will be built at ESS.
Decoherence free subspaces of a quantum Markov semigroup
Authors: Agredo Julián , Fagnola Franco , Rebolledo Rolando
Published: November 2014

We give a full characterisation of decoherence free subspaces of a given quantum Markov semigroup with generator in a generalised Lindbald form which is valid also for infinite-dimensional systems. Our results, extending those available in the literature concerning finite-dimensional systems, are illustrated by some examples.