bluuebunny/crossref_metadata_2025 huggingface dataset:
Support Desired by Women Following Termination of Pregnancy for a Fetal Anomaly
Authors: Ramdaney Aarti , Hashmi Syed S. , Monga Manju , Carter Rebecca , Czerwinski Jennifer
Published: April 2015

With the rapidly evolving field of prenatal testing, there is a growing need to provide support for women pursuing termination of pregnancy following the discovery of a fetal anomaly. Previous studies have documented that women in this situation often feel unsupported, but the type of resources desired by this population remains undetermined. We studied the awareness and utilization of support resources in 51 women at the time of the procedure, at 6 weeks, and at 3 months following the event. Though largely knowledgeable of existing resources at the time of the procedure, only 50 % admitted contemplating their individualized need for support. Most expected to rely on the support of family and friends. Additionally, 50 % expressed the desire to commemorate the pregnancy, though none wanted direct contact with their healthcare provider(s). Responses from the 6 weeks and 3 months assessments were consistent with previous literature as many women indicated not coping as expected and were unprepared for the psychological consequences following the procedure. Our findings indicate that women in these situations may not realize what their long‐term support needs will be. They further indicate that guidelines for routine follow‐up care should be established among healthcare providers that respect this population's initial desires to avoid reminders of the pregnancy and promote a flexible timeframe for support uptake. Additional support resources that promote flexible uptake as well as meet the desires of anonymity and ease of access need to be developed for this population.
Uptake of Genetic Counseling, Knowledge of Bleeding risks and Psychosocial Impact in a South African Cohort of Female Relatives of People with Hemophilia
Authors: Gillham Anne , Greyling Brenda , Wessels Tina‐Marie , Mbele Bongi , Schwyzer Rosemarie , Krause Amanda , Mahlangu Johnny
Published: April 2015

In excess of 200 people with hemophilia (PWH) and their families have received genetic counseling (GC) at the Hemophilia Comprehensive Care Centre at Charlotte Maxeke Johannesburg Academic Hospital. However, very few of their at‐risk female relatives have attended GC to discuss their reproductive risks and options, or their potential bleeding risks. Limited research has been conducted internationally on factors influencing uptake of GC and testing amongst female relatives of PWH. This prospective study aimed to explore the factors that influence the uptake of GC and testing by female relatives of PWH. An open‐ended semi‐structured interview schedule was developed. Participants included female relatives of PWH who at least had a family member who had received GC. Seventeen participants were interviewed; 7 who had GC previously and 10 who had not. All participants who had previously received GC found the service helpful and were mothers referred because their sons had hemophilia. Of those who had not had GC, possible deterrents included: being unaware of GC service, focus in clinic on PWH and not potential carriers, misunderstood risks related to hemophilia and carrier status, fear of finding out carrier status, and non‐disclosure in families. Most participants were unaware of potential bleeding risks for carriers. The information will be used to provide a better service to female relatives of PWH with a goal being to set up a dedicated hemophilia carrier clinic.
The importance of residual habitats and crop management for the conservation of birds breeding in intensive orchards
Authors: Brambilla Mattia , Assandri Giacomo , Martino Giuseppe , Bogliani Giuseppe , Pedrini Paolo
Published: April 2015

Intensive orchards are artificial habitats managed according to production criteria, but they may mimic open woodlands and harbour wild species. We investigated the effect of orchard features on the true abundance (estimated with occupancy models) of some bird species widespread in orchards. Our study was carried out in Val di Non (Trento province, Italy) where apple cultivation is the most widespread and intensive. We counted blackcaps Sylvia atricapilla, chaffinches Fringilla coelebs, and greenfinches Carduelis chloris three times at 44 transects 300‐m long. At each transect, we estimated the number of territories/pairs and recorded variables describing the cover of the habitats and management factors. Blackcap abundance was positively affected by the cover of shrubland and broadleaved woodland and by a low cover of coniferous forests. Chaffinch abundance was driven by a negative impact of anti‐hail nets and secondarily by bare ground and urbanized areas, with chaffinches more abundant in areas with grassland ground cover and 5–10 % cover of urban habitats. Greenfinch abundance increased with wetland cover, cover of other natural/semi‐natural habitats and tree height and decreased with grassland cover. Both the availability of natural and semi‐natural vegetation and the orchard traits determined by management can significantly affect the abundance of common species. The conservation of the remaining patches of woodland, shrubland, wetland (and other natural/semi‐natural habitats) is essential for bird conservation. The already reported negative impact of anti‐hail nets and the importance of the height of apple trees are confirmed; irrigation systems and bare ground may also be important factors.
Cleavage of Carboxylic Acid Moieties in Triacylglycerides During Non‐Catalytic Pyrolysis
Authors: Kubátová A. , Geetla A. , Casey J. , Linnen M. J. , Seames W. S. , Smoliakova I. P. , Kozliak E. I.
Published: April 2015

Noncatalytic pyrolysis of triacylglyceride (TG) oils is an attractive option for production of renewable fuels and chemicals. This process produces 20–30 wt% of C2–C10 fatty acids due to the presence of carboxyl moieties in TG. To decipher this process’ mechanism, several compositionally distinct crop oil feedstocks with varied abundances of C18 saturated and unsaturated TG carboxylic acid chains were pyrolyzed for short residence times in a laboratory‐scale continuous turbulent flow reactor. A comprehensive gas chromatographic analysis of the oxygenated products revealed the selective formation of linear saturated monocarboxylic acids (LSMCA) of less than C11 in size, with a specific homological pattern featuring peaks for C2–C3, C7 and C9–C10 LSMCA. The relative abundance of these size groups varied amongst the feedstocks cracked due to variations in the abundance of triunsaturated (linolenic), diunsaturated (linoleic) and monounsaturated (oleic) acids, respectively, in the original TG. We proposed a mechanism explaining the observed product speciation and homology profiles by the formation of acyloxyl biradicals as essential intermediates. High‐temperature C=C π‐bond hydrogenation with a concomitant σ‐bond cleavage yields C9–C10 LSMCA. This new path was confirmed by pyrolysis experiments with triolein in a GC pyroprobe.
Effects of Curcumin on the Oxidative Stability of Oils Depending on Type of Matrix, Photosensitizers, and Temperature
Authors: Yi BoRa , Ka Hye Jung , Kim Mi‐Ja , Lee JaeHwan
Published: April 2015

The photosensitizing activity of curcumin was tested in corn oil and oil‐in‐water (O/W) emulsion systems under visible light irradiation. In addition, the antioxidative/prooxidative properties of curcumin were evaluated in corn oil at 100 °C and in O/W emulsion at room temperature under riboflavin photosensitization or at 60 °C in the dark. Curcumin acted as a photosensitizer in corn oil and O/W emulsions . The oxidative stability of corn oil samples containing curcumin (0–5.0 mmol/kg oil) were not significantly different (p > 0.05) at 100 °C, implying curcumin did not act as an antioxidant nor a prooxidant in corn oil. However, curcumin inhibited lipid oxidation in O/W emulsions under riboflavin photosensitization at room temperature and 60 °C in the dark. The photosensitization and antioxidant abilities of curcumin were greatly influenced by matrix types and presence of riboflavin. Therefore, antioxidative or prooxidative characteristics of curcumin should be evaluated considering matrix type including bulk oil or O/W emulsions and presence of visible light irradiation.
Characterization of Vanaspati Fat Produced in Iran
Authors: Farmani Jamshid , Gholitabar Ahdiyeh
Published: April 2015

Vanaspati is the main culinary fat consumed in Iran. It is produced from vegetable oils using different modification processes such as hydrogenation, fractionation, interesterification or blending. To characterize this product, samples from different Iranian brands were collected and their physicochemical properties were studied. Iranian vanaspati contains 0.3–6.2 % trans fatty acids and 24.8–30.5 % saturated fatty acids. Linoleic acid with a range of 32.5–40.3 % is the main unsaturated fatty acid of vanaspati. Iodine values and saponification values of the samples were in the range of 91.9–106.4 and 193.2–194.3, respectively. Free fatty acid contents between 0.04 and 0.10 % and peroxide values between 2.0 and 8.8 mequiv/kg were detected in samples. The induction period of oxidation of the samples was found to be between 8.5 and 15.4 h at 110 °C. With an average slip melting point of 32.9 °C, samples contained 10.0–22.6 % solid fat content at 10 °C, 4.2–10.6 % at 20 °C, 0.3–5.2 % at 30 °C and 0.0–0.5 % at 40 °C. The induction period of crystallization and crystallization rate of samples, were in the range of 0.0–33.11 min and 0.07–2.54 1/min, respectively. Lovibond red and yellow color indices of the product were found to be in the range of 5.0–7.3 and 69.5–70.2, respectively.
Automatic speech analysis for the assessment of patients with predementia and Alzheimer's disease
Authors: König Alexandra , Satt Aharon , Sorin Alexander , Hoory Ron , Toledo‐Ronen Orith , Derreumaux Alexandre , Manera Valeria , Verhey Frans , Aalten Pauline , Robert Phillipe H. , David Renaud
Published: April 2015

Background

To evaluate the interest of using automatic speech analyses for the assessment of mild cognitive impairment (MCI) and early‐stage Alzheimer's disease (AD).

Methods

Healthy elderly control (HC) subjects and patients with MCI or AD were recorded while performing several short cognitive vocal tasks. The voice recordings were processed, and the first vocal markers were extracted using speech signal processing techniques. Second, the vocal markers were tested to assess their “power” to distinguish among HC, MCI, and AD. The second step included training automatic classifiers for detecting MCI and AD, using machine learning methods and testing the detection accuracy.

Results

The classification accuracy of automatic audio analyses were as follows: between HCs and those with MCI, 79% ± 5%; between HCs and those with AD, 87% ± 3%; and between those with MCI and those with AD, 80% ± 5%, demonstrating its assessment utility.

Conclusion

Automatic speech analyses could be an additional objective assessment tool for elderly with cognitive decline.
L-Ascorbic Acid Addition to Chitosan Reduces Body Weight in Overweight Women
Authors: Jung Eun Y. , Jun Sung C. , Chang Un J. , Suh Hyung J.
Published: April 2015

Previously, we have found that the addition of L-ascorbic acid to chitosan enhanced the reduction in body weight gain in guinea pigs fed a high-fat diet. We hypothesized that the addition of L-ascorbic acid to chitosan would accelerate the reduction of body weight in humans, similar to the animal model. Overweight subjects administered chitosan with or without L-ascorbic acid for 8 weeks, were assigned to three groups: Control group (N = 26, placebo, vehicle only), Chito group (N = 27, 3 g/day chitosan), and Chito-vita group (N = 27, 3 g/day chitosan plus 2 g/day L-ascorbic acid). The body weights and body mass index (BMI) of the Chito and Chito-vita groups decreased significantly (p < 0.05) compared to the Control group. The BMI of the Chito-vita group decreased significantly compared to the Chito group (Chito: -1.0 kg/m2 vs. Chito-vita: -1.6 kg/m2, p < 0.05). The results showed that the chitosan enhanced reduction of body weight and BMI was accentuated by the addition of L-ascorbic acid. The fat mass, percentage body fat, body circumference, and skinfold thickness in the Chito and Chito-vita groups decreased more than the Control group; however, these parameters were not significantly different between the three groups. Chitosan combined with L-ascorbic acid may be useful for controlling body weight.
Vitamin D Supplementation and Serum Levels of Magne-sium and Selenium in Type 2 Diabetes Mellitus Patients: Gender Dimorphic Changes
Authors: Al-Daghri Nasser M. , Alkharfy Khalid M. , Khan Nasiruddin , Alfawaz Hanan A. , Al-Ajlan Abdulrahman S. , Yakout Sobhy M. , Alokail Majed S.
Published: April 2015

The aim of our study was to evaluate the effects of vitamin D supplementation on circulating levels of magnesium and selenium in patients with type 2 diabetes mellitus (T2DM). A total of 126 adult Saudi patients (55 men and 71 women, mean age 53.6 ± 10.7 years) with controlled T2DM were randomly recruited for the study. All subjects were given vitamin D3 tablets (2000 IU/day) for six months. Follow-up mean concentrations of serum 25-hydroxyvitamin D [25-(OH) vitamin D] significantly increased in both men (34.1 ± 12.4 to 57.8 ± 17.0 nmol/L) and women (35.7 ± 13.5 to 60.1 ± 18.5 nmol/L, p < 0.001), while levels of parathyroid hormone (PTH) decreased significantly in both men (1.6 ± 0.17 to 0.96 ± 0.10 pmol/L, p = 0.003) and women (1.6 ± 0.17 to 1.0 ± 0.14 pmol/L, p = 0.02). In addition, there was a significant increase in serum levels of selenium and magnesium in men and women (p-values < 0.001 and 0.04, respectively) after follow-up. In women, a significant correlation was observed between delta change (variables at six months-variable at baseline) of serum magnesium versus high-density lipoprotein (HDL)-cholesterol (r = 0.36, p = 0.006) and fasting glucose (r = - 0.33, p = 0.01). In men, there was a significant correlation between serum selenium and triglycerides (r = 0.32, p = 0.04). Vitamin D supplementation improves serum concentrations of magnesium and selenium in a gender-dependent manner, which in turn could affect several cardiometabolic parameters such as glucose and lipids.
Serum Vitamin B12 Levels During the First Trimester of Pregnancy Correlate with Newborn Screening Markers of Vitamin B12 Deficiency
Authors: Dayaldasani Anita , Ruiz-Escalera Juan , Rodríguez-Espinosa Manuel , Rueda Inmaculada , Pérez-Valero Vidal , Yahyaoui Raquel
Published: April 2015

Introduction. Low maternal vitamin B12 status is a risk factor for various adverse pregnancy outcomes. Although vitamin B12 deficiency is not a primary target of newborn screening (NBS) programs, measurements of propionylcarnitine (C3) and its ratios with acetylcarnitine (C3/C2) and palmitoylcarnitine (C3/C16) may incidentally identify vitamin B12-deficient newborns. The objective of this study was to measure vitamin B12 levels in women during the first trimester of pregnancy, evaluate predictors of these concentrations, and study their relationship with newborn screening results. Design: Vitamin B12 concentrations were evaluated in 204 women during the first trimester of pregnancy and possible confounding factors were analyzed. After giving birth, data of their newborns (189) were collected (sex, gestational age, birthweight) and the acylcarnitine profile obtained by tandem mass spectrometry during NBS was analyzed. To assess the effects of the variables on vitamin B12 serum concentrations and newborn screening markers, stepwise multiple linear regression models were used. Results: The mean serum concentration of vitamin B12 was 370.8 pmol/L (502.4 pg/mL) (SD 142.81). Vitamin B12 concentrations were significantly lower in smokers (p = 0.027), and in women with low meat consumption (p = 0.040). There was a significant inverse correlation between mothers vitamin B12 concentrations and their childrens C3 (r = - 0.24; p = 0.001), C3/C2 (r = - 0.23; p = 0.002) and C3/C16 levels (r = - 0.20; p = 0.006). Conclusions: Newborn screening markers (C3, C3/C2, and C3/C16) present an inverse correlation with maternal vitamin B12 status in the first trimester of pregnancy. Regarding factors that may influence maternal serum vitamin B12 levels during the first trimester, smoking seems to have a negative effect, and meat consumption a positive effect.
The MS4A family: counting past 1, 2 and 3
Authors: Eon Kuek Li , Leffler Melanie , Mackay Graham A , Hulett Mark D
Published: April 2015

The MS4A (membrane‐spanning 4‐domain family, subfamily A) family of proteins contains some well‐known members including MS4A1 (CD20), MS4A2 (FcɛRIβ) and MS4A3 (HTm4). These three MS4A family members are expressed on the cell surface of specific leukocyte subsets and have been well characterized as having key roles in regulating cell activation, growth and development. However, beyond MS4A1‐3 there are a large number of related molecules (18 to date in humans) where our understanding of their biological roles is at a relatively nascent stage. This review examines the larger MS4A family focusing on their structure, expression, regulation and characterized and/or emerging biological roles. Our own work on one family member MS4A8B, and its possible role in epithelial cell regulation, is also highlighted.
NMR as a Tool to Unveil the Molecular Basis of Glycan-mediated Host–Pathogen Interactions
Authors: Marchetti Roberta , Molinaro Antonio , Silipo Alba
Published: April 2015

The nature of the relationship between microbes and hosts spans the broad spectrum from beneficial (symbiosis) to pathogenic (disease); one of the key factors determining the establishment of any type of host–microbe interaction is the pattern of glycoconjugates exposed on cell surfaces, many known as virulence factors since they are pivotal for adhesion to host tissue, immunoevasion and immunosuppression, causing disease in the host. The recognition of these pathogen glycostructures by specific host receptors is an important means of immune defense. In this context, NMR represents a valuable tool to investigate the conformational properties of both host/pathogen signaling molecules and to disclose their interaction at a molecular level. This chapter provides an overview of several protein–carbohydrate interaction systems studied by NMR, and their implications in human and plant diseases.
Metabolic phenotyping of the Yersinia high-pathogenicity island that regulates central carbon metabolism
Authors: Yan Leyu , Nie Wenna , Lv Haitao
Published: April 2015

The regulatory effects of the HPI virulence genes on central carbon metabolism differentiate UPEC from non-UPEC.
Er3+/Yb3+ upconverters for InGaP solar cells under concentrated broadband illumination
Authors: Feenstra J. , Six I. F. , Asselbergs M. A. H. , van Leest R. H. , de Wild J. , Meijerink A. , Schropp R. E. I. , Rowan A. E. , Schermer J. J.
Published: April 2015

A semi-transparent InGaP solar cell combined with lanthanide upconverters led to improved current densities using otherwise unused low energy photons.
Synthesis and NMR and mass spectrometric study of ammonioacetohydrazones of formylphenylboronic acids as novel ionic prospective sugar receptors
Authors: Bartkowiak Grażyna , Popenda Łukasz , Jurga Stefan , Schroeder Grzegorz
Published: April 2015

We report sugar receptors in which the sensitivity of detection through MALDI mass spectrometry is enhanced due to the introduction of an ionic group to the receptor molecule.
Stark sublevels in Tm3+–Yb3+ codoped Na2Y2B2O7 nanophosphor for multifunctional applications
Authors: Soni Abhishek Kumar , Dey Riya , Rai Vineet Kumar
Published: April 2015

The phase and crystal structure of the Na2Y2B2O7:Tm3+–Yb3+ inorganic phosphor prepared by solution combustion method have been identified. These observations show that the developed material can be used in optical devices and for biological applications.
A synergistic effect of a ferrocenium salt on the diaryliodonium salt-induced visible-light curing of bisphenol-A epoxy resin
Authors: Chen Yu , Jia Xiaoqin , Wang Mengqiang , Wang Tao
Published: April 2015

Diaryliodonium and ferrocenium salts undergo photo-electron transfer (PET) to initiate photopolymerizations under a halogen lamp.
Surface enhanced Raman scattering based on Au nanoparticles/layered double hydroxide ultrathin films
Authors: Tian Rui , Li Mingwan , Teng Haiyan , Luo Heng , Yan Dongpeng , Wei Min
Published: April 2015

Active SERS ultrathin films (UTFs) based on a two-dimensional architecture have been fabricated, and densely immobilized Au NPs leads to an enhanced electromagnetic field and improved SERS effect. These UTFs exhibit versatility and sensitivity in the detection in various analytes.
On-chip metal/polypyrrole quasi-reference electrodes for robust ISFET operation
Authors: Duarte-Guevara Carlos , Swaminathan Vikhram V. , Burgess Mark , Reddy Bobby , Salm Eric , Liu Yi-Shao , Rodriguez-Lopez Joaquin , Bashir Rashid
Published: April 2015

Polypyrrole was deposited on metal electrodes with a cyclic voltammetry process to form robust on-chip quasi-reference electrodes. ISFETs operated with these electrodes are more sensitive and achieve better resolution.
Investigation of antimalarial drug pyrimethamine and its interaction with dsDNA by electrochemical and spectroscopic techniques
Authors: Radi Abd-Elgawad , Nassef Hossam M. , Attallah Mohamed I.
Published: April 2015

The electrochemical behavior of the antimalarial drug pyrimethamine (PMT) was examined at a screen printed carbon electrode (SPCE) in different aqueous supporting electrolytes using cyclic voltammetry (CV) and differential pulse voltammetry (DPV).
Gene expression of ternary complexes through the compaction of nanofiber-polyplexes by mixing with lipofectamine
Authors: Aono Ryuta , Nomura Kenta , Yuba Eiji , Harada Atsushi , Kono Kenji
Published: April 2015

The compaction of the nanofiber-polyplexes by mixing with cationic lipofectamine can improve cellular uptake and helps the ternary complex to retain its smooth transcription/translation process, and ternary complexes exhibit a high transfection efficiency.
H8-BINOL chiral imidodiphosphoric acid catalyzed highly enantioselective aza-Friedel–Crafts reactions of pyrroles and enamides/imines
Authors: Wu Kun , Zhuo Ming-Hua , Sha Di , Fan Yan-Sen , An Dong , Jiang Yi-Jun , Zhang Suoqin
Published: April 2015

H8-BINOL-type imidodiphosphoric acid (0.3–2 mol%) catalyzed highly enantioselective aza-Friedel–Crafts reactions of pyrroles and enamides/imines have been developed.
A straightforward implementation of in situ solution electrochemical 13C NMR spectroscopy for studying reactions on commercial electrocatalysts: ethanol oxidation
Authors: Huang L. , Sorte E. G. , Sun S.-G. , Tong Y. Y. J.
Published: April 2015

The first in situ solution electrochemical 13C NMR study of ethanol oxidation on commercial Pt/C and PtRu/C was reported.
Mitochondria-targeted fluorescent thermometer monitors intracellular temperature gradient
Authors: Arai Satoshi , Suzuki Madoka , Park Sung-Jin , Yoo Jung Sun , Wang Lu , Kang Nam-Young , Ha Hyung-Ho , Chang Young-Tae
Published: April 2015

A small molecule fluorescent thermometer targeting mitochondria (Mito thermo yellow) enables us to monitor the intracellular temperature gradient, generated by exogenous heating in various cells.
G-quadruplex ligands exhibit differential G-tetrad selectivity
Authors: Le D. D. , Di Antonio M. , Chan L. K. M. , Balasubramanian S.
Published: April 2015

Site-specific fluorescence quench assay allows for targeted G-quadruplex equilibrium binding measurements to investigate G-tetrad selective ligands.
Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n – a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies
Authors: Nowicka Beata , Reczyński Mateusz , Rams Michał , Nitek Wojciech , Kozieł Marcin , Sieklucka Barbara
Published: April 2015

A new form of 2D honeycomb-like network is characterised by flat layers and undergoes single-crystal-to-single-crystal transformation to corrugated hexadecahydrate.
Synthesis of size-controlled PtCu@Ru nanorattles via Pt seed-assisted formation of size-controlled removable Cu template
Authors: Park Suhyun , Yoon Donghwan , Baik Hionsuck , Lee Kwangyeol
Published: April 2015

A facile synthetic strategy has been developed for size-controlled PtCu@Ru nanorattles via co-decomposition of Ru and Cu precursors in the presence of Pt nanoparticles.
Bioinspired nanoreactors for the biomineralisation of metallic-based nanoparticles for nanomedicine
Authors: Bain Jennifer , Staniland Sarah S
Published: April 2015

A review of biological nanoreactor to make nanomedical metallic-based nanoparticles: from natural biomineralisation to biokleptic templating to synthetic vesicles.
Experimental and first-principles investigation of the adsorption and entrapping of guanine with SiO2clusters of sol–gel silicate material for understanding DNA photodamage
Authors: Chandraboss V. L. , Karthikeyan B. , Senthilvelan S.
Published: April 2015

A sol–gel silicate matrix containing entrapped guanine was prepared. The SiO2matrix provides UVA protection by reducing the light penetration to the entrapped guanine molecules.
β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes
Authors: Maj Michał , Ahn Changwoo , Kossowska Dorota , Park Kwanghee , Kwak Kyungwon , Han Hogyu , Cho Minhaeng
Published: April 2015

An infrared (IR) probe based on isonitrile (NC)-derivatized alanine 1 was synthesized and the vibrational properties of its NC stretching mode were investigated using FTIR and femtosecond IR pump–probe spectroscopy.
Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime
Authors: Antoniou P. , Ma Z. , Zhang P. , Beratan D. N. , Skourtis S. S.
Published: April 2015

Electron donors are connectedvialeft and right bridges to electron acceptors. Following electron-transfer initiation, the IR excitation of selected bridge vibrational modes can tune the directionality of electron transfer.
Enhancing electrochemical performance by control of transport properties in buffer layers – solid oxide fuel/electrolyser cells
Authors: Ramasamy Devaraj , Nasani Narendar , Brandão Ana D. , Pérez Coll Domingo , Fagg Duncan P.
Published: April 2015

Extension of electrocatalytically active sites for oxygen electrode reaction by the presence of a mixed conducting buffer layer.
A study of the mechanism of fluoride adsorption from aqueous solutions onto Fe-impregnated chitosan
Authors: Zhang Jing , Chen Nan , Tang Zheng , Yu Yang , Hu Qili , Feng Chuanping
Published: April 2015

The mechanism of fluoride adsorption on Fe-CTS was elucidated using many spectroscopic techniques.
The influence of active site conformations on the hydride transfer step of the thymidylate synthase reaction mechanism
Authors: Świderek Katarzyna , Kohen Amnon , Moliner Vicent
Published: April 2015

QM/MM MD simulations from different X-ray structures support the concerted mechanism character in the rate limiting step of thymidylate synthase catalysis.
Improving As(iii) adsorption on graphene based surfaces: impact of chemical doping
Authors: Cortés-Arriagada Diego , Toro-Labbé Alejandro
Published: April 2015

On the basis of quantum chemistry calculations, the adsorption of As(iii) onto graphene based adsorbents has been studied.
A Zr metal–organic framework based on tetrakis(4-carboxyphenyl) silane and factors affecting the hydrothermal stability of Zr-MOFs
Authors: Wang Shufen , Wang Jingjing , Cheng Weiwei , Yang Xiaowei , Zhang Zaiyong , Xu Yan , Liu Hongke , Wu Yong , Fang Min
Published: April 2015

A new Zr-MOF based on tetrakis(4-carboxyphenyl) silane was synthesized, and factors affecting the hydrothermal stabilities of Zr-MOFs are discussed.
Local structure analysis around the Nd center in a ternary catalyst comprising Nd(vers)3, Al(iBu)3 and Al(iBu)2Cl by XAFS
Authors: Guo Huilong , Bi Jifu , Wang Jiayi , Zhang Xuequan , Jiang Shichun , Wu Zhonghua
Published: April 2015

In situ XAFS technique determines the structural changes around the Nd center in a ternary catalyst comprising neodymium neodecanoate, Al(iBu)3 and Al(iBu)2Cl.
Ionic liquid-stabilized nanoparticles as catalysts for the conversion of biomass
Authors: Luska K. L. , Migowski P. , Leitner W.
Published: April 2015

In this review we have outlined the early progress and conceptual approach towards the use of ionic liquid-stabilized nanoparticles for the conversion of biomass into chemicals and fuels.
A highly sustainable route to pyrrolidone derivatives – direct access to biosourced solvents
Authors: Ledoux A. , Sandjong Kuigwa L. , Framery E. , Andrioletti B.
Published: April 2015

Access to a series of 5-methylpyrrolidone derivatives is described directly using the biosourced levulinic acid in the absence of any additive, catalyst or solvent.
Vapor-fed microfluidic hydrogen generator
Authors: Modestino M. A. , Dumortier M. , Hosseini Hashemi S. M. , Haussener S. , Moser C. , Psaltis D.
Published: April 2015

Water-splitting devices that operate with humid air feeds are an attractive alternative for hydrogen production as the required water input can be obtained directly from ambient air.
Integration of pathway structure information into a reweighted partial Cox regression approach for survival analysis on high-dimensional gene expression data
Authors: Liu Wei , Wang Qiuyu , Zhao Jianmei , Zhang Chunlong , Liu Yuejuan , Zhang Jian , Bai Xuefeng , Li Xuecang , Feng Houming , Liao Mingzhi , Wang Wei , Li Chunquan
Published: April 2015

Accurately predicting the risk of cancer relapse or death is important for clinical utility.
Modulation of hybrid organic–perovskite photovoltaic performance by controlling the excited dynamics of fullerenes
Authors: Li Chang-Zhi , Liang Po-Wei , Sulas Dana B. , Nguyen Phu D. , Li Xiaosong , Ginger David S. , Schlenker Cody W. , Jen Alex K.-Y.
Published: April 2015

Fullerenes with excited charge-transfer counteract the excitonic nature of regular organics that results in improving perovskite–fullerene contact and photovoltaic performance.
Correction: Great prospects for PAF-1 and its derivatives
Authors: Pei Cuiying , Ben Teng , Qiu Shilun
Published: April 2015

Correction for ‘Great prospects for PAF-1 and its derivatives’ by Cuiying Pei et al., Mater. Horiz., 2015, 2, 11–21.
Design, synthesis and initial characterisation of a radiolabelled [18F]pyrimidoindolone probe for detecting activated caspase-3/7
Authors: Udemba A. , Smith G. , Nguyen Q.-D. , Kaliszczak M. , Carroll L. , Fortt R. , Fuchter M. J. , Aboagye E. O.
Published: April 2015

Evasion of apoptosis is one of the six initially proposed hallmarks of cancer, and as such, a method to detect apoptosis in a tumour would be of considerable interest in both clinical trials of new cancer therapeutics, as well as for routine patient management.
Discovery, stereospecific characterization and peripheral modification of 1-(pyrrolidin-1-ylmethyl)-2-[(6-chloro-3-oxo-indan)-formyl]-1,2,3,4-tetrahydroisoquinolines as novel selective κ opioid receptor agonists
Authors: Gan Zong-Jie , Wang Yu-Hua , Xu Yun-Gen , Guo Ting , Wang Jun , Song Qiao , Xu Xue-Jun , Hu Shi-Yuan , Wang Yu-Jun , Wang De-Chuan , Sun De-Zhu , Zhang Di , Xi Tao , Li Hao-Dong , Zhang Hai-Bo , Hang Tai-Jun , Lu Hong-Guo , Liu Jing-Gen
Published: April 2015

11aproduces potent peripheral antinociception.
High molecular weight mechanochromic spiropyran main chain copolymers via reproducible microwave-assisted Suzuki polycondensation
Authors: Metzler Lukas , Reichenbach Thomas , Brügner Oliver , Komber Hartmut , Lombeck Florian , Müllers Stefan , Hanselmann Ralf , Hillebrecht Harald , Walter Michael , Sommer Michael
Published: April 2015

Mechanochromic spiropyran main chain copolymers with high and reproducible molar mass can be made using microwave-assisted Suzuki–Miyaura polycondensation.
Influences of the backbone randomness on the properties, morphology and performances of the fluorinated benzoselenadiazole–benzothiadiazole based random copolymers
Authors: Chen Yung-Tsung , Huang Tzu-Wei , Wang Chien-Lung , Hsu Chain-Shu
Published: April 2015

A series of FBT–FBSe ternary random copolymers were synthesized to identify the influences of backbone randomness on the morphology and performances.
Aminoparticles – synthesis, characterisation and application in water purification
Authors: Dsouza Roshan , Valiyaveettil Suresh
Published: April 2015

A convenient synthesis of processable aminoparticles is demonstrated with potential applications in water purification.
Electrochemical synthesis and photoelectrochemical properties of a novel RGO/AgNDs composite
Authors: Zhang Xiaomei , Wang Aming , Ke Rui , Zhang Shengyi , Niu Helin , Mao Changjie , Song Jiming , Jin Baokang , Tian Yupeng
Published: April 2015

A novel RGO/AgNDs composite was prepared by a one-step electrodeposition method. The RGO/AgNDs composite exhibited excellent photoelectrical conversion and sensitive electrochemical response to H2O2.
Surface-modified spherical activated carbon materials for pre-combustion carbon dioxide capture
Authors: Sun Nannan , Sun Chenggong , Liu Jingjing , Liu Hao , Snape Colin E. , Li Kaixi , Wei Wei , Sun Yuhan
Published: April 2015

Carbon beads exhibiting potential in practical pre-combustion CO2 capture were prepared.
Rapid colorimetric detection of melamine by H2O2–Au nanoparticles
Authors: Yin Miaolin , Zhao Lifang , Wei Qin , Li He
Published: April 2015

A simple, rapid and sensitive detection method by the naked eye for melamine in dairy products is reported.
Correction: Cathodic and anodic photocurrents generation from melem and its derivatives
Authors: Wei Xiaoqing , Qiu Yu , Duan Weiyuan , Liu Zhengxin
Published: April 2015

Correction for ‘Cathodic and anodic photocurrents generation from melem and its derivatives’ by Xiaoqing Wei et al., RSC Adv., 2015, 5, 26675–26679.
Enhanced tribological properties of bismaleimides filled with aligned graphene nanosheets coated with Fe3O4 nanorods
Authors: Liu Chao , Yan Hongxia , Chen Zhengyan , Yuan Lingxia , Liu Tianye
Published: April 2015

A friction-reducing and anti-wear composite was designed and successfully prepared with aligned GNS–Fe3O4 in bismaleimide resin.
Plasmonic, interior-decorated, one-dimensional hierarchical nanotubes for high-efficiency, solid-state, dye-sensitized solar cells
Authors: Ahn Sung Hoon , Kim Dong Jun , Chi Won Seok , Kim Jong Hak
Published: April 2015

1D, hierarchical, hetero-nanotube photoanodes (Au@SnO2@TNSs), were prepared with a large surface area, excellent electron transport, and improved light scattering. The resulting solid-state DSSCs had enhanced efficiency up to 8.4% at 100 mW cm−2.
Lithium amidoborane hydrazinates: synthesis, structure and hydrogen storage properties
Authors: He Teng , Wu Hui , Wu Guotao , Li Zhao , Zhou Wei , Ju Xiaohua , Xie Dong , Chen Ping
Published: April 2015

Lithium amidoborane hydrazinate, the first amidoborane hydrazinate as a potential hydrogen storage material, was successfully synthesized and investigated.
Graphene: a multipurpose material for protective coatings
Authors: Nine Md J. , Cole Martin A. , Tran Diana N. H. , Losic Dusan
Published: April 2015

This article reviews and discusses the potentialities, challenges and progress of graphene for application in multifunctional protective coatings.
Correction: Structure and function relationships in alkylammonium lead(ii) iodide solar cells
Authors: Safdari Majid , Fischer Andreas , Xu Bo , Kloo Lars , Gardner James M.
Published: April 2015

Correction for ‘Structure and function relationships in alkylammonium lead(ii) iodide solar cells’ by Majid Safdari et al., J. Mater. Chem. A, 2015, DOI: 10.1039/c4ta06174h.
A perylene diimide (PDI)-based small molecule with tetrahedral configuration as a non-fullerene acceptor for organic solar cells
Authors: Chen Wangqiao , Yang Xuan , Long Guankui , Wan Xiangjian , Chen Yongsheng , Zhang Qichun
Published: April 2015

In this paper, a new perylene diimide (PDI)-based acceptorMe-PDI4with tetrahedral configuration (or 3D) has been synthesized and characterized.
Roles of dynamical symmetry breaking in driving oblate-prolate transitions of atomic clusters
Authors: Oka Yurie , Yanao Tomohiro , Koon Wang Sang
Published: April 2015

This paper explores the driving mechanisms for structural transitions of atomic clusters between oblate and prolate isomers. We employ the hyperspherical coordinates to investigate structural dynamics of a seven-atom cluster at a coarse-grained level in terms of the dynamics of three gyration radii and three principal axes, which characterize overall mass distributions of the cluster. Dynamics of gyration radii is governed by two kinds of forces. One is the potential force originating from the interactions between atoms. The other is the dynamical forces called the internal centrifugal forces, which originate from twisting and shearing motions of the system. The internal centrifugal force arising from twisting motions has an effect of breaking the symmetry between two gyration radii. As a result, in an oblate isomer, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two largest gyration radii is crucial in triggering structural transitions into prolate isomers. In a prolate isomer, on the other hand, activation of the internal centrifugal force that has the effect of breaking the symmetry between the two smallest gyration radii is crucial in triggering structural transitions into oblate isomers. Activation of a twisting motion that switches the movement patterns of three principal axes is also important for the onset of structural transitions between oblate and prolate isomers. Based on these trigger mechanisms, we finally show that selective activations of specific gyration radii and twisting motions, depending on the isomer of the cluster, can effectively induce structural transitions of the cluster. The results presented here could provide further insights into the control of molecular reactions.
Boltzmann-conserving classical dynamics in quantum time-correlation functions: “Matsubara dynamics”
Authors: Hele Timothy J. H. , Willatt Michael J. , Muolo Andrea , Althorpe Stuart C.
Published: April 2015

We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or “classical Wigner approximation”) results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their “Matsubara” values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ2 at ħ0 (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting “Matsubara” dynamics is inherently classical (since all terms O(ħ2) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.
Use of dc Ar microdischarge with nonlocal plasma for identification of metal samples
Authors: Kudryavtsev A. A. , Stefanova M. S. , Pramatarov P. M.
Published: April 2015

The possibility of using the collisional electron spectroscopy (CES) method for the detection of atoms from metal samples is experimentally verified. The detection and identification of metal atoms from a Pt sample in the nonlocal plasma of short (without positive column) dc Ar microdischarge at intermediate pressures (5–30 Torr) is realized in this work. Cathode sputtering is used for atomization of the metal under analysis. The identification of the analyzed metal is made from the energy spectra of groups of fast nonlocal electrons—characteristic electrons released in the Penning ionization of the Pt atoms by Ar metastable atoms and molecules. The acquisition of the electron energy spectra is performed using an additional electrode—a sensor located at the boundary of the discharge volume. The Pt characteristic Penning electrons form the maxima in the electron energy spectra at the energies of their appearance, which are 2.6 eV and 1.4 eV. From the measured energy of the maxima, identification of the metal atoms is accomplished. The characteristic Ar maxima due to pair collisions between Ar metastable atoms and molecules and super-elastic collisions are also recorded. This study demonstrates the possibility of creating a novel microplasma analyzer for atoms from metal samples.
Line broadening interference for high-resolution nuclear magnetic resonance spectra under inhomogeneous magnetic fields
Authors: Wei Zhiliang , Yang Jian , Chen Youhe , Lin Yanqin , Chen Zhong
Published: April 2015

Nuclear magnetic resonance spectroscopy serves as an important tool for analyzing chemicals and biological metabolites. However, its performance is subject to the magnetic-field homogeneity. Under inhomogeneous fields, peaks are broadened to overlap each other, introducing difficulties for assignments. Here, we propose a method termed as line broadening interference (LBI) to provide high-resolution information under inhomogeneous magnetic fields by employing certain gradients in the indirect dimension to interfere the magnetic-field inhomogeneity. The conventional spectral-line broadening is thus interfered to be non-diagonal, avoiding the overlapping among adjacent resonances. Furthermore, an inhomogeneity correction algorithm is developed based on pattern recognition to recover the high-resolution information from LBI spectra. Theoretical deductions are performed to offer systematic and detailed analyses on the proposed method. Moreover, experiments are conducted to prove the feasibility of the proposed method for yielding high-resolution spectra in inhomogeneous magnetic fields.
Deformation of a Ti-Nb alloy containing α"-martensite and omega phases
Authors: Cai S. , Schaffer J. E. , Ren Y.
Published: April 2015

Microscopic deformation of a Ti-17at. %Nb alloy with high fractions of α″-martensite and ω phases was studied by in-situ synchrotron X-ray diffraction. Textures, phase fractions, individual lattice strains, and peak intensities during deformation were studied. It is found that, to accommodate the external tensile strain, some of the α″ and ω grains were first transformed to the β-phase, which then continuously transformed to the α″-phase with chosen variants that effectively accommodate the deformation strain. A strong (010)α″ fiber texture was formed at the expense of the (001)α″ and (111)α″ fiber textures. Above 400 MPa applied stress, (110)α″ deformation twinning was triggered with a simultaneous stress relaxation in the (110)α″ family and a slight increase in its texture strength in the loading direction.
Two-dimensional electron liquid at the (111) SmTiO3/SrTiO3 interface
Authors: Raghavan Santosh , Zhang Jack Y. , Stemmer Susanne
Published: April 2015

Similar to (001) interfaces, a high carrier density, two-dimensional electron liquid (2DEL) is expected to form at (111) RTiO3/SrTiO3 interfaces (R is a trivalent rare earth ion). In this study, epitaxial SmTiO3 layers were grown on (111) SrTiO3 surfaces using hybrid molecular beam epitaxy. We report on electrical transport measurements and characterize the carrier densities in the 2DEL and the carrier mobilities at these interfaces. The carrier density is in reasonable agreement with the expected carrier density of ∼2 × 1014 cm−2. Mobility-limiting mechanisms are analyzed and compared with those of (001) interfaces. Collectively, the results indicate that (111) 2DELs are less confined than those at (001) interfaces. These 2DELs should allow for the study of the phenomena induced by the unique topology of the electron system at (111) interfaces.
Influence of hydrogen on the structure and stability of ultra-thin ZnO on metal substrates
Authors: Bieniek Bjoern , Hofmann Oliver T. , Rinke Patrick
Published: April 2015

We investigate the atomic and electronic structure of ultra-thin ZnO films (1 to 4 layers) on the (111) surfaces of Ag, Cu, Pd, Pt, Ni, and Rh by means of density-functional theory. The ZnO monolayer is found to adopt an α-BN structure on the metal substrates with coincidence structures in good agreement with experiment. Thicker ZnO layers change into a wurtzite structure. The films exhibit a strong corrugation, which can be smoothed by hydrogen (H) adsorption. An H over-layer with 50% coverage is formed at chemical potentials that range from low to ultra-high vacuum H2 pressures. For the Ag substrate, both α-BN and wurtzite ZnO films are accessible in this pressure range, while for Cu, Pd, Pt, Rh, and Ni wurtzite films are favored. The surface structure and the density of states of these H passivated ZnO thin films agree well with those of the bulk ZnO(0001¯)-2×1-H surface.
Scandinavian pancake constructions as a family of constructions
Authors: Haugen Tor Arne , Enger Hans-Olav
Published: April 2015

This paper deals with a classical problem in Scandinavian grammar, so-called ‘pancake sentences’, nicknamed after examples like Pannekaker er godt ‘Pancakes are good’ where there seemingly is disagreement between the plural subject and the predicative adjective in the neuter singular. Our aim is twofold. From the theoretical point of view, we shall argue that there are advantages with a construction-based approach, and that such an approach is superior to previous analyses within various generative frameworks.The main reason for this is that the data require generalizations over combinations of subjects and predicative adjectives at a rather specific level. From a more empirical point of view, we shall argue that Scandinavian displays a range of different, but related pancake constructions. For the first time, corpus data are brought into the debate. We show that a construction type that has not received much attention previously is in fact the most frequent type, namely constructions where the subject is a deverbal noun.
Cognitive Linguistics
Authors: Wen Xu , Yang Kun , Kuang Fangtao
Published: April 2015

As a new paradigm of linguistics, Cognitive Linguistics has made great achievements over the past 30 years or so. In order to make the latest trends of Cognitive Linguistic research known, this paper presents the outstanding achievements and prominent characteristics of Cognitive Linguistics in various dimensions. In contrast to some other linguistic theories, Cognitive Linguistics has more conspicuous advantages in its theories and other aspects. Cognitive linguistics can offer not only an account of linguistic phenomena but also that of a wide variety of social and cultural phenomena. Therefore, Cognitive Linguistics is not only a school of linguistics but a cognitive social science or a cognitive semiotics, which has lots of implications for various fields or disciplines in the age of big data.