bluuebunny/crossref_metadata_2025 huggingface dataset:
Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS2 and MoS2 to 65 Tesla
Authors: Stier Andreas V. , McCreary Kathleen M. , Jonker Berend T. , Kono Junichiro , Crooker Scott A.
Published: February 2016

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS2and MoS2in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately −230 μeV T−1(g-factor ≃−4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS2, from which radii of ∼1.53 and ∼1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). These results highlight the utility of high magnetic fields for understanding new two-dimensional materials.
Correction: Corrigendum: Bridging the gap between in vitro and in vivo: Dose and schedule predictions for the ATR inhibitor AZD6738
Authors: Checkley Stephen , MacCallum Linda , Yates James , Jasper Paul , Luo Haobin , Tolsma John , Bendtsen Claus
Published: February 2016

Understanding the therapeutic effect of drug dose and scheduling is critical to inform the design and implementation of clinical trials. The increasing complexity of both mono, and particularly combination therapies presents a substantial challenge in the clinical stages of drug development for oncology. Using a systems pharmacology approach, we have extended an existing PK-PD model of tumor growth with a mechanistic model of the cell cycle, enabling simulation of mono and combination treatment with the ATR inhibitor AZD6738 and ionizing radiation. Using AZD6738, we have developed multi-parametric cell based assays measuring DNA damage and cell cycle transition, providing quantitative data suitable for model calibration. Our in vitro calibrated cell cycle model is predictive of tumor growth observed in in vivo mouse xenograft studies. The model is being used for phase I clinical trial designs for AZD6738, with the aim of improving patient care through quantitative dose and scheduling prediction.
Erratum: Dynamic markers based on blood perfusion fluctuations for selecting skin melanocytic lesions for biopsy
Authors: Lancaster Gemma , Stefanovska Aneta , Pesce Margherita , Vezzoni Gian Marco , Loggini Barbara , Pingitore Raffaele , Ghiara Fabrizio , Barachini Paolo , Cervadoro Gregorio , Romanelli Marco , Rossi Marco
Published: February 2016

Skin malignant melanoma is a highly angiogenic cancer, necessitating early diagnosis for positive prognosis. The current diagnostic standard of biopsy and histological examination inevitably leads to many unnecessary invasive excisions. Here, we propose a non-invasive method of identification of melanoma based on blood flow dynamics. We consider a wide frequency range from 0.005–2 Hz associated with both local vascular regulation and effects of cardiac pulsation. Combining uniquely the power of oscillations associated with individual physiological processes we obtain a marker which distinguishes between melanoma and atypical nevi with sensitivity of 100% and specificity of 90.9%. The method reveals valuable functional information about the melanoma microenvironment. It also provides the means for simple, accurate, in vivo distinction between malignant melanoma and atypical nevi, and may lead to a substantial reduction in the number of biopsies currently undertaken.
Towards ultrasensitive malaria diagnosis using surface enhanced Raman spectroscopy
Authors: Chen Keren , Yuen Clement , Aniweh Yaw , Preiser Peter , Liu Quan
Published: February 2016

We report two methods of surface enhanced Raman spectroscopy (SERS) for hemozoin detection in malaria infected human blood. In the first method, silver nanoparticles were synthesized separately and then mixed with lysed blood; while in the second method, silver nanoparticles were synthesized directly inside the parasites of Plasmodium falciparum. It was observed that the first method yields a smaller variation in SERS measurements and stronger correlation between the estimated contribution of hemozoin and the parasitemia level, which is preferred for the quantification of the parasitemia level. In contrast, the second method yields a higher sensitivity to a low parasitemia level thus could be more effective in the early malaria diagnosis to determine whether a given blood sample is positive.
Hydrolysis of Cellulose by a Mesoporous Carbon-Fe2(SO4)3/γ-Fe2O3 Nanoparticle-Based Solid Acid Catalyst
Authors: Yamaguchi Daizo , Watanabe Koki , Fukumi Shinya
Published: February 2016

Carbon-based solid acid catalysts have shown significant potential in a wide range of applications and they have been successfully synthesized using simple processes. Magnetically separable mesoporous carbon composites also have enormous potential, especially in separation and adsorption technology. However, existing techniques have been unable to produce a magnetically separable mesoporous solid acid catalyst because no suitable precursors have been identified. Herein we describe a magnetically separable, mesoporous solid acid catalyst synthesized from a newly developed mesoporous carbon-γ-Fe2O3 nanoparticle composite. This material exhibits an equivalent acid density and catalytic activity in the hydrolysis of microcrystalline cellulose, to that of the cellulose-derived conventional catalyst. Since it is magnetically separable, this material can be readily recovered and reused, potentially reducing the environmental impact of industrial processes to which it is applied.
Automated single cell isolation from suspension with computer vision
Authors: Ungai-Salánki Rita , Gerecsei Tamás , Fürjes Péter , Orgovan Norbert , Sándor Noémi , Holczer Eszter , Horvath Robert , Szabó Bálint
Published: February 2016

Current robots can manipulate only surface-attached cells seriously limiting the fields of their application for single cell handling. We developed a computer vision-based robot applying a motorized microscope and micropipette to recognize and gently isolate intact individual cells for subsequent analysis, e.g., DNA/RNA sequencing in 1–2 nanoliters from a thin (~100 μm) layer of cell suspension. It can retrieve rare cells, needs minimal sample preparation and can be applied for virtually any tissue cell type. Combination of 1 μm positioning precision, adaptive cell targeting and below 1 nl liquid handling precision resulted in an unprecedented accuracy and efficiency in robotic single cell isolation. Single cells were injected either into the wells of a miniature plate with a sorting speed of 3 cells/min or into standard PCR tubes with 2 cells/min. We could isolate labeled cells also from dense cultures containing ~1,000 times more unlabeled cells by the successive application of the sorting process. We compared the efficiency of our method to that of single cell entrapment in microwells and subsequent sorting with the automated micropipette: the recovery rate of single cells was greatly improved.
Combining S-cone and luminance signals adversely affects discrimination of objects within backgrounds
Authors: Jennings Ben J. , Tsattalios Konstantinos , Chakravarthi Ramakrishna , Martinovic Jasna
Published: February 2016

The visual system processes objects embedded in complex scenes that vary in both luminance and colour. In such scenes, colour contributes to the segmentation of objects from backgrounds, but does it also affect perceptual organisation of object contours which are already defined by luminance signals, or are these processes unaffected by colour’s presence? We investigated if luminance and chromatic signals comparably sustain processing of objects embedded in backgrounds, by varying contrast along the luminance dimension and along the two cone-opponent colour directions. In the first experiment thresholds for object/non-object discrimination of Gaborised shapes were obtained in the presence and absence of background clutter. Contrast of the component Gabors was modulated along single colour/luminance dimensions or co-modulated along multiple dimensions simultaneously. Background clutter elevated discrimination thresholds only for combined S-(L + M) and L + M signals. The second experiment replicated and extended this finding by demonstrating that the effect was dependent on the presence of relatively high S-(L + M) contrast. These results indicate that S-(L + M) signals impair spatial vision when combined with luminance. Since S-(L + M) signals are characterised by relatively large receptive fields, this is likely to be due to an increase in the size of the integration field over which contour-defining information is summed.
Evolutionary functional elaboration of the Elovl2/5 gene family in chordates
Authors: Monroig Óscar , Lopes-Marques Mónica , Navarro Juan C. , Hontoria Francisco , Ruivo Raquel , Santos Miguel M. , Venkatesh Byrappa , Tocher Douglas R. , C. Castro L. Filipe
Published: February 2016

The biosynthesis of long-chain polyunsaturated fatty acids (LC-PUFA) provides an intriguing example on how multi-enzymatic cascades evolve. Essential LC-PUFA, such as arachidonic, eicosapentaenoic and docosahexaenoic acids (DHA), can be acquired from the diet but are also endogenously retailored from C18 precursors through consecutive elongations and desaturations catalyzed, respectively, by fatty acyl elongase and desaturase enzymes. The molecular wiring of this enzymatic pathway defines the ability of a species to biosynthesize LC-PUFA. Exactly when and how in animal evolution a functional LC-PUFA pathway emerged is still elusive. Here we examine key components of the LC-PUFA cascade, the Elovl2/Elovl5 elongases, from amphioxus, an invertebrate chordate, the sea lamprey, a representative of agnathans and the elephant shark, a basal jawed vertebrate. We show that Elovl2 and Elovl5 emerged from genome duplications in vertebrate ancestry. The single Elovl2/5 from amphioxus efficiently elongates C18 and C20 and, to a marked lesser extent, C22 LC-PUFA. Lamprey is incapable of elongating C22 substrates. The elephant shark Elovl2 showed that the ability to efficiently elongate C22 PUFA and thus to synthesize DHA through the Sprecher pathway, emerged in the jawed vertebrate ancestor. Our findings illustrate how non-integrated “metabolic islands” evolve into fully wired pathways upon duplication and neofunctionalization.
The remarkable activity and stability of a highly dispersive beta-brass Cu-Zn catalyst for the production of ethylene glycol
Authors: Li Molly Meng-Jung , Zheng Jianwei , Qu Jin , Liao Fenglin , Raine Elizabeth , Kuo Winson C. H. , Su Shei Sia , Po Pang , Yuan Youzhu , Tsang Shik Chi Edman
Published: February 2016

Incorporation of Zn atoms into a nanosize Cu lattice is known to alter the electronic properties of Cu, improving catalytic performance in a number of industrially important reactions. However the structural influence of Zn on the Cu phase is not well studied. Here, we show that Cu nano-clusters modified with increasing concentration of Zn, derived from ZnO support doped with Ga3+, can dramatically enhance their stability against metal sintering. As a result, the hydrogenation of dimethyl oxalate (DMO) to ethylene glycol, an important reaction well known for deactivation from copper nanoparticle sintering, can show greatly enhanced activity and stability with the CuZn alloy catalysts due to no noticeable sintering. HRTEM, nano-diffraction and EXAFS characterization reveal the presence of a small beta-brass CuZn alloy phase (body-centred cubic, bcc) which appears to greatly stabilise Cu atoms from aggregation in accelerated deactivation tests. DFT calculations also indicate that the small bcc CuZn phase is more stable against Cu adatom migration than the fcc CuZn phase with the ability to maintain a higher Cu dispersion on its surface.
Quantum entanglement of identical particles by standard information-theoretic notions
Authors: Lo Franco Rosario , Compagno Giuseppe
Published: February 2016

Quantum entanglement of identical particles is essential in quantum information theory. Yet, its correct determination remains an open issue hindering the general understanding and exploitation of many-particle systems. Operator-based methods have been developed that attempt to overcome the issue. Here we introduce a state-based method which, as second quantization, does not label identical particles and presents conceptual and technical advances compared to the previous ones. It establishes the quantitative role played by arbitrary wave function overlaps, local measurements and particle nature (bosons or fermions) in assessing entanglement by notions commonly used in quantum information theory for distinguishable particles, like partial trace. Our approach furthermore shows that bringing identical particles into the same spatial location functions as an entangling gate, providing fundamental theoretical support to recent experimental observations with ultracold atoms. These results pave the way to set and interpret experiments for utilizing quantum correlations in realistic scenarios where overlap of particles can count, as in Bose-Einstein condensates, quantum dots and biological molecular aggregates.
Bidirectional associations between rheumatoid arthritis and depression: a nationwide longitudinal study
Authors: Lu Ming-Chi , Guo How-Ran , Lin Miao-Chiu , Livneh Hanoch , Lai Ning-Sheng , Tsai Tzung-Yi
Published: February 2016

Rheumatoid arthritis (RA) and depression may be associated with each other pathophysiologically, but few studies have been conducted on the interplay between these two diseases using longitudinal measurement. Therefore, we used the National Health Insurance Research Database of Taiwan to investigate the bidirectional associations between RA and depression. One cohort was included to analyze RA predicting the onset of depression and a second cohort for analysis of depression predicting RA. A sex- and age-matched control group was included for both. The incidence of depression in RA subjects was higher than in non-RA subjects [15.69 vs. 8.95 per 1,000 person-years (PYs)], with an adjusted hazard ratios (HRs) of 1.69 [95% confidence interval (CI), 1.51–1.87]. The incidence of RA was higher in depressed than non-depressed individuals (2.07 vs. 1.21 per 1,000 PYs), with an adjusted HRs of 1.65 (95% CI, 1.41–1.77). This population-based cohort study suggested strong bidirectional relationships between RA and depression. Healthcare providers are recommended to facilitate the implementation of more effective therapeutic interventions to achieve favorable prognosis, especially for those with new-onset or younger cases.
Impact of Measurement Uncertainties on Receptor Modeling of Speciated Atmospheric Mercury
Authors: Cheng I. , Zhang L. , Xu X.
Published: February 2016

Gaseous oxidized mercury (GOM) and particle-bound mercury (PBM) measurement uncertainties could potentially affect the analysis and modeling of atmospheric mercury. This study investigated the impact of GOM measurement uncertainties on Principal Components Analysis (PCA), Absolute Principal Component Scores (APCS) and Concentration-Weighted Trajectory (CWT) receptor modeling results. The atmospheric mercury data input into these receptor models were modified by combining GOM and PBM into a single reactive mercury (RM) parameter and excluding low GOM measurements to improve the data quality. PCA and APCS results derived from RM or excluding low GOM measurements were similar to those in previous studies, except for a non-unique component and an additional component extracted from the RM dataset. The percent variance explained by the major components from a previous study differed slightly compared to RM and excluding low GOM measurements. CWT results were more sensitive to the input of RM than GOM excluding low measurements. Larger discrepancies were found between RM and GOM source regions than those between RM and PBM. Depending on the season, CWT source regions of RM differed by 40–61% compared to GOM from a previous study. No improvement in correlations between CWT results and anthropogenic mercury emissions were found.
All-carbon multi-electrode array for real-time in vitro measurements of oxidizable neurotransmitters
Authors: Picollo Federico , Battiato Alfio , Bernardi Ettore , Plaitano Marilena , Franchino Claudio , Gosso Sara , Pasquarelli Alberto , Carbone Emilio , Olivero Paolo , Carabelli Valentina
Published: February 2016

We report on the ion beam fabrication of all-carbon multi electrode arrays (MEAs) based on 16 graphitic micro-channels embedded in single-crystal diamond (SCD) substrates. The fabricated SCD-MEAs are systematically employed for the in vitro simultaneous amperometric detection of the secretory activity from populations of chromaffin cells, demonstrating a new sensing approach with respect to standard techniques. The biochemical stability and biocompatibility of the SCD-based device combined with the parallel recording of multi-electrodes array allow: i) a significant time saving in data collection during drug screening and/or pharmacological tests over a large number of cells, ii) the possibility of comparing altered cell functionality among cell populations, and iii) the repeatition of acquisition runs over many cycles with a fully non-toxic and chemically robust bio-sensitive substrate.
Limited Antigenic Diversity in Contemporary H7 Avian-Origin Influenza A Viruses from North America
Authors: Xu Yifei , Bailey Elizabeth , Spackman Erica , Li Tao , Wang Hui , Long Li-Ping , Baroch John A. , Cunningham Fred L. , Lin Xiaoxu , Jarman Richard G. , DeLiberto Thomas J. , Wan Xiu-Feng
Published: February 2016

Subtype H7 avian–origin influenza A viruses (AIVs) have caused at least 500 confirmed human infections since 2003 and culling of >75 million birds in recent years. Here we antigenically and genetically characterized 93 AIV isolates from North America (85 from migratory waterfowl [1976–2010], 7 from domestic poultry [1971–2012], and 1 from a seal [1980]). The hemagglutinin gene of these H7 viruses are separated from those from Eurasia. Gradual accumulation of nucleotide and amino acid substitutions was observed in the hemagglutinin of H7 AIVs from waterfowl and domestic poultry. Genotype characterization suggested that H7 AIVs in wild birds form diverse and transient internal gene constellations. Serologic analyses showed that the 93 isolates cross-reacted with each other to different extents. Antigenic cartography showed that the average antigenic distance among them was 1.14 units (standard deviation [SD], 0.57 unit) and that antigenic diversity among the H7 isolates we tested was limited. Our results suggest that the continuous genetic evolution has not led to significant antigenic diversity for H7 AIVs from North America. These findings add to our understanding of the natural history of IAVs and will inform public health decision-making regarding the threat these viruses pose to humans and poultry.
Aberrant Methylation of RASSF1A Closely Associated with HNSCC, a Meta-Analysis
Authors: Meng Rui-Wei , Li Yun-Cheng , Chen Xiong , Huang Yang-Xin , Shi Hao , Du Dan-Dan , Niu Xun , Lu Cheng , Lu Mei-Xia
Published: February 2016

The RAS association domain family protein 1a (RASSF1A), a tumor suppressor gene at 3p21.3, plays a very important role in various cancers, including the head and neck squamous cell carcinoma (HNSCC). Hypermethylation of CpG islands in the RASSF1A promoter region contribute to epigenetic inactivation. However, the association between RASSF1A promoter methylation and HNSCC remains unclear and controversial. Therefore, a meta-analysis was performed in the study to identify the association. We identified the eligible studies through searching PubMed, EMBASE, Web of Science, and China National Knowledge Infrastructure (CNKI) databases with a systematic searching strategy. The information on characteristics of each study and prevalence of RASSF1A methylation were collected. Pooled odds ratios (ORs) with corresponding confidence intervals (CIs) were calculated. Meta-regression was performed to analyze heterogeneity and funnel plots were applied to evaluate publication bias. A total of 550 HNSCC patients and 404 controls from twelve eligible studies were included in the meta-analysis. Overall, a significant association was observed between RASSF1A methylation status and HNSCC risk under a random-effects model (OR = 2.93, 95% CI: 1.58–5.46). There was no significant publication bias observed. The meta-analysis suggested that there was a significant association between aberrant RASSF1A methylation and HNSCC.
Astrocyte-to-neuron intercellular prion transfer is mediated by cell-cell contact
Authors: Victoria Guiliana Soraya , Arkhipenko Alexander , Zhu Seng , Syan Sylvie , Zurzolo Chiara
Published: February 2016

Prion diseases are caused by misfolding of the cellular protein PrPC
to an infectious conformer, PrPSc. Intercellular PrPSc
transfer propagates conversion and allows infectivity to move from the periphery to
the brain. However, how prions spread between cells of the central nervous system is
unclear. Astrocytes are specialized non-neuronal cells within the brain that have a
number of functions indispensable for brain homeostasis. Interestingly, they are one
of the earliest sites of prion accumulation in the brain. A fundamental question
arising from this observation is whether these cells are involved in intercellular
prion transfer and thereby disease propagation. Using co-culture systems between
primary infected astrocytes and granule neurons or neuronal cell lines, we provide
direct evidence that prion-infected astrocytes can disseminate prion to neurons.
Though astrocytes are capable of secreting PrP, this is an inefficient method of
transferring prion infectivity. Efficient transfer required co-culturing and direct
cell contact. Astrocytes form numerous intercellular connections including tunneling
nanotubes, containing PrPSc, often colocalized with endolysosomal
vesicles, which may constitute the major mechanism of transfer. Because of their
role in intercellular transfer of prions astrocytes may influence progression of the
disease.
Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy
Authors: Ferretti Marco , Hendrikx Ruud , Romero Elisabet , Southall June , Cogdell Richard J. , Novoderezhkin Vladimir I. , Scholes Gregory D. , van Grondelle Rienk
Published: February 2016

Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines the selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. We suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.
Sequestration of nanoparticles by an EPS matrix reduces the particle-specific bactericidal activity
Authors: Wang Qian , Kang Fuxing , Gao Yanzheng , Mao Xuewei , Hu Xiaojie
Published: February 2016

Most artificial nanomaterials are known to exhibit broad-spectrum bactericidal activity; however, the defence mechanisms that bacteria use based on extracellular polymeric substances (EPS) to detoxify nanoparticles (NPs) are not well known. We ruled out the possibility of ion-specific bactericidal activity by showing the lack of equivalent dissolved zinc and silicon toxicity and determined the particle-specific toxicity of ZnO and SiO2 nanoparticles (ZnONPs/SiO2NPs) through dialysis isolation experiments. Surprisingly, the manipulation of the E. coli EPS (i.e., no EPS manipulation or EPS removal by sonication/centrifugation) showed that their particle-specific bactericidal activity could be antagonized by NP-EPS sequestration. The survival rates of pristine E. coli (no EPS manipulation) reached 65% (ZnONPs, 500 mg L−1) and 79% (SiO2NPs, 500 mg L−1), whereas survival rates following EPS removal by sonication/centrifugation were 11% and 63%, respectively. Transmission electron microscopy (TEM) combined with fluorescence micro-titration analysis and Fourier-transform infrared spectroscopy (FTIR) showed that protein-like substances (N-H and C-N in amide II) and secondary carbonyl groups (C=O) in the carboxylic acids of EPS acted as important binding sites that were involved in NP sequestration. Accordingly, the amount and composition of EPS produced by bacteria have important implications for the bactericidal efficacy and potential environmental effects of NPs.
Dynamic monitoring of cell mechanical properties using profile microindentation
Authors: Guillou L. , Babataheri A. , Puech P.-H. , Barakat A. I. , Husson J.
Published: February 2016

We have developed a simple and relatively inexpensive system to visualize adherent cells in profile while measuring their mechanical properties using microindentation. The setup allows simultaneous control of cell microenvironment by introducing a micropipette for the delivery of soluble factors or other cell types. We validate this technique against atomic force microscopy measurements and, as a proof of concept, measure the viscoelastic properties of vascular endothelial cells in terms of an apparent stiffness and a dimensionless parameter that describes stress relaxation. Furthermore, we use this technique to monitor the time evolution of these mechanical properties as the cells’ actin is depolymerized using cytochalasin-D.
PCDTBT based solar cells: one year of operation under real-world conditions
Authors: Zhang Yiwei , Bovill Edward , Kingsley James , Buckley Alastair R. , Yi Hunan , Iraqi Ahmed , Wang Tao , Lidzey David G.
Published: February 2016

We present measurements of the outdoor stability of PCDTBT:PC71BM based bulk heterojunction organic solar cells for over the course of a year. We find that the devices undergo a burn-in process lasting 450 hours followed by a TS80 lifetime of up to 6200 hours. We conclude that in the most stable devices, the observed TS80 lifetime is limited by thermally-induced stress between the device layers, as well as materials degradation as a result of edge-ingress of water or moisture through the encapsulation.
Fundamental Intramolecular and Intermolecular Information from NMR in the Gas Phase
Authors: Jameson Cynthia J.
Published: February 2016

Since theories on the behavior of dilute gases are in an advanced stage compared to condensed phases and complex materials, gas phase NMR measurements offer opportunities unique to the gas phase for fundamental understanding of the dependence of NMR quantities (shielding, J coupling) on the internal coordinates of the molecule (the property surfaces that mathematically describe how these molecular electronic properties change while the molecule carries out vibrational motions). The virial expansion is valid in the dilute gas, so that observations in the linear-density regime uniquely permit the determination of the linear-density dependence of NMR quantities, the second virial property coefficients that can be calculated in closed form by direct integration, if the intermolecular potential energy surface (PES) is known. Precise measurements afforded by NMR provide tested general theoretical treatments of intermolecular effects and intramolecular averaging that apply also to other molecular electronic properties. Spin–lattice relaxation times in the linear-density regime also provide a direct connection to the intermolecular PES; they can be calculated in terms of two well-defined cross-sections involving changes in molecular orientation and molecular rotational angular momentum sensitive to the anisotropy of the PES by well-established theory. Finally, observations of chemical exchange processes in gas phase NMR provide tests of kinetic theories for molecular rearrangements (RRKM) and transition state theory, and so provide tests of calculated transition states, reaction surfaces, and activation thermodynamic quantities such as ΔG⧧, ΔH⧧, ΔS⧧.
Obtaining Gas Phase NMR Parameters from Molecular Beam and High-resolution Microwave Spectroscopy
Authors: Faucher Alexandra , Wasylishen Roderick E.
Published: February 2016

Microwave spectroscopy and molecular beam resonance methods provide a wealth of information about NMR parameters. For example, nuclear spin rotation tensors provide information about the absolute values of magnetic shielding experienced by nuclei in isolated molecules. Molecular beam resonance methods are capable of yielding both direct and indirect nuclear spin–spin coupling tensors, fundamental data difficult or impossible to obtain by any other method. Finally, electric field gradient tensors at quadrupolar nuclei in isolated molecules are provided by high-resolution rotational spectroscopy. Several examples illustrating the importance of the connection between these spectroscopies are presented. The precise data from microwave spectroscopy and molecular beam resonance methods, together with gas phase NMR data, are also being used as a benchmark to test computational quantum mechanical procedures. Recent progress in this area is allowing scientists to better understand the role of relativistic effects in the interpretation of NMR parameters. Again, several examples from the recent literature are presented.
Gas Phase NMR for the Study of Chemical Reactions: Kinetics and Product Identification
Authors: Marchione Alexander A. , Conklin Breanna
Published: February 2016

NMR spectroscopy is a uniquely convenient and information-rich tool for the study of chemical reactions in the gas phase. This report discusses strategies employed to address the special experimental challenges posed by elevated pressure and temperature, and the spectroscopic peculiarities of the gas phase. The extensive literature on the application of gas phase NMR to the study of reaction kinetics (consisting of 11 publications) is surveyed. A study of the gaseous decomposition of di-tert-butyl peroxide, as conducted with modern instrumentation and software, is described in detail. The report concludes with a summary of recent work applying two-dimensional NMR correlation and diffusion experiments to gaseous analytes.
Real-time PCR melting analysis with fiber optic SPR enables multiplex DNA identification of bacteria
Authors: Daems D. , Knez K. , Delport F. , Spasic D. , Lammertyn J.
Published: February 2016

A fiber optic surface plasmon resonance (FO-SPR) technology was developed that enables simultaneous quantification and identification of multiple DNA targets on the same platform.
A modified QuEChERS method coupled with high resolution LC-Q-TOF-mass spectrometry for the extraction, identification and quantification of isoflavones in soybeans
Authors: Ding Bo , Wang Zhiyuan , Yi Rong , Zhang Siqun , Li Xun , She Zhigang , Chen Wenrui
Published: February 2016

A modified QuEChERS method coupled with high resolution LC-Q-TOF-MS was established for the extraction, identification and quantification of six isoflavones in soybeans.
Etching of electrodeposited Cu2O films using ammonia solution for photovoltaic applications
Authors: Zhu Changqiong , Panzer Matthew J.
Published: February 2016

Wet etching of p-Cu2O films in ammonia solution reduces surface impurities, further texturizes the surface, and improves Cu2O homojunction interface quality.
Volume dependence of the dielectric properties of amorphous SiO2
Authors: Malyi Oleksandr I. , Boström Mathias , Kulish Vadym V. , Thiyam Priyadarshini , Parsons Drew F. , Persson Clas
Published: February 2016

The dielectric properties of amorphous SiO2 and other SiO2 polymorphs are linked by simple volume dependence.
Structure–property relationships in two-dimensionally extended benzoporphyrin molecules probed using single-molecule fluorescence spectroscopy
Authors: Ham Sujin , Lee Sang Hyeon , Chung Heejae , Kim Dongho
Published: February 2016

The photophysical properties of a series of highly π-conjugated benzoporphyrin molecules (BPNs) with different shapes were investigated in the condensed phase using single-molecule fluorescence spectroscopy.
Tuning the Mn valence state in new Ca0.66Mn2−xAlxO4 (x ≤ 0.4) oxides: impact on magnetic and redox properties
Authors: Lesturgez Stéphanie , Goglio Graziella , Weill François , N'Guyen Olivier , Toulemonde Olivier , Durand Etienne , Hernandez Julien , Demourgues Alain
Published: February 2016

Al3+ substitution for Mn4+/Mn3+ into the Ca0.66Mn2O4 1D tunnel network leads to the stabilization of an orthorhombic unit cell (SG: Pnma) with two different Mn sites attributed mainly to Mn4+ and Mn3+ respectively.
Analysis of the isomer ratios of polymethylated-DOTA complexes and the implications on protein structural studies
Authors: Opina Ana Christina L. , Strickland Madeleine , Lee Yong-Sok , Tjandra Nico , Byrd R. Andrew , Swenson Rolf E. , Vasalatiy Olga
Published: February 2016

RP-HPLC and NMR studies showed that early lanthanides of SSSS-SSSS-M4DOTMA unprecedentedly favor the SAP conformation, while late lanthanides adopt TSAP.
μ1,1-R-phenylcyanamido bridges as a new safe synthetic strategy for ferromagnetic molecular clusters
Authors: Speed Saskia , Casanovas Berta , Vicente Ramon
Published: February 2016

Three new Ni(ii) defective double-cubane tetrameric entities in which the Ni(ii) atoms are linked by μ1,1-R-phenylcyanamido bridges and two kinds of O-bridges have been reported. The magnetic data indicate ferromagnetic coupling through the R-phenylcyanamido ligands.
BaAl4 derivative phases in the sections {La,Ce}Ni2Si2–{La,Ce}Zn2Si2: phase relations, crystal structures and physical properties
Authors: Failamani Fainan , Malik Zahida , Salamakha Leonid , Kneidinger Friedrich , Grytsiv Andriy , Michor Herwig , Bauer Ernst , Giester Gerald , Rogl Peter
Published: February 2016

Phase relations, crystal structures and physical properties of the BaAl4 derivative phases within the sections LaNi2Si2–LaZn2Si2 and CeNi2Si2–CeZn2Si2 at 800 °C have been evaluated.
NaKV4O9·2H2O: a new 2D magnetic compound with a 1/5-depleted square lattice
Authors: Cui Meiyan , He Zhangzhen , Wang Nannan , Tang Yingying , Guo Wenbin , Zhang Suyun , Wang Lin , Xiang Hongping
Published: February 2016

A new vanadate compound NaKV4O9·2H2O shows a typical 2D layered structure with a quite interesting 1/5-depleted square spin-lattice. Magnetic measurements demonstrate a spin-singlet ground state with a spin-gap in the system.
Grape pomace and grape pomace extract improve insulin signaling in high-fat-fructose fed rat-induced metabolic syndrome
Authors: Rodriguez Lanzi Cecilia , Perdicaro Diahann Jeanette , Antoniolli Andrea , Fontana Ariel Ramón , Miatello Roberto Miguel , Bottini Rubén , Vazquez Prieto Marcela Alejandra
Published: February 2016

In this study the effect of diet supplementation with grape pomace (GP) and grape pomace extract (GPE) on insulin sensitive tissues (adipose, liver and muscle) was evaluated in an experimental model of metabolic syndrome (MetS).
Patch formation of a viral channel forming protein within a lipid membrane – Vpu of HIV-1
Authors: Lin Meng-Han , Chen Chin-Pei , Fischer Wolfgang B.
Published: February 2016

Dimer-first formation leads to larger assemblies with potentially relevant structures.
Support effects in rare earth element separation using diglycolamide-functionalized mesoporous silica
Authors: Juère Estelle , Florek Justyna , Larivière Dominic , Kim Kyoungsoo , Kleitz Freddy
Published: February 2016

The work aims at exploring the role of pore structure, texture and morphology of various DGA-functionalized mesoporous silica materials on their rare earth element (REE) adsorption performances, both in batch and flow-through systems.
Effect of the N-based ligands in copper complexes for depolymerisation of lignin
Authors: Dai Jinhuo , Nanayakkara Sepa , Lamb Thomas C. , Clark Andrew J. , Guo Si-Xuan , Zhang Jie , Patti Antonio F. , Saito Kei
Published: February 2016

Several organic soluble N-based ligands and their copper complexes were firstly investigated as catalysts to depolymerise organosolv lignin in the organic solvent, dimethylformamide (DMF) and an ionic liquid (1-ethyl-3-methylimidazolium xylenesulfonate, [emim][ABS]).
Effects of pH value and temperature on the initiation, promotion, inhibition and direct reaction rate constants of natural organic matter in ozonation
Authors: Yong Ee Ling , Lin Yi-Pin
Published: February 2016

pH and temperature affect the kinetics of specific reactions of NOM and influence organic contaminants removal in the ozonation process.
SiO2–Ti0.98In0.01Nb0.01O2 composite ceramics with low dielectric loss, high dielectric permittivity and an enhanced breakdown electric field
Authors: Li Jinglei , Xu Zhuo , Li Fei , Zhu Xuhui , Zhang Shujun
Published: February 2016

SiO2–Ti0.98In0.01Nb0.01O2 (SiO2–TINO) composite ceramics were synthesized by solid-state sintering methods, where the lower dielectric loss and enhanced breakdown electric field were achieved.
Dual function of coronatine as a bacterial virulence factor against plants: possible COI1–JAZ-independent role
Authors: Egoshi Syusuke , Takaoka Yousuke , Saito Hiroaki , Nukadzuka Yuuki , Hayashi Kengo , Ishimaru Yasuhiro , Yamakoshi Hiroyuki , Dodo Kosuke , Sodeoka Mikiko , Ueda Minoru
Published: February 2016

A phytotoxin coronatine has a dual mode of action, triggering stomatal reopening through COI1–JAZ-dependent and independent pathways.
Synthesis, physiochemical property and antibacterial activity of gemini quaternary ammonium salts with a rigid spacer
Authors: Fu S. Q. , Guo J. W. , Zhong X. , Yang Z. , Lai X. F.
Published: February 2016

Aggregate morphologies of GQASs change from vesicles and micelles to network aggregates and then to globular vesicles with increase of concentration.
Dispersion stability of chemically reduced graphene oxide nanoribbons in organic solvents
Authors: Song Min Yeong , Yun Young Soo , Kim Na Rae , Jin Hyoung-Joon
Published: February 2016

In this study, the dispersion stability of graphene oxide nanoribbons (GONRs) and chemically reduced GONRs (CR-GONRs) in various organic solvents was investigated.
Efficient removal of rhodamine 6G dye from aqueous solution using nickel sulphide incorporated polyacrylamide grafted gum karaya bionanocomposite hydrogel
Authors: Kumar Neeraj , Mittal Hemant , Parashar Vyom , Ray Suprakas Sinha , Ngila Jane Catherine
Published: February 2016

This research paper reports the synthesis and usage of the polyacrylamide (PAAm) grafted gum karaya (Gk) and nickel sulphide nanoparticle based hydrogel to effectively remove rhodamine 6G dye (R6G) from aqueous solution.
Growth mechanism for alternating supply epitaxy: the unique pathway to achieve uniform silicon carbide films on multiple large-diameter silicon substrates
Authors: Wang Li , Dimitrijev Sima , Fissel Andreas , Walker Glenn , Chai Jessica , Hold Leonie , Fernandes Alanna , Nguyen Nam-Trung , Iacopi Alan
Published: February 2016

The unique growth mechanism of alternating supply epitaxy enables uniform 3C-SiC to be deposited on multiple large-diameter Si wafers.
Generation of Cu nanoparticles on novel designed Fe3O4@SiO2/EP.EN.EG as reusable nanocatalyst for the reduction of nitro compounds
Authors: Rajabzadeh Maryam , Eshghi Hossein , Khalifeh Reza , Bakavoli Mehdi
Published: February 2016

Reusable magnetic Cu nanocatalyst was designed and characterized. An efficient and mild method for the reduction of aromatic nitro compounds.
Synthesis, screening and sensing applications of a novel fluorescent probe based on C-glycosides
Authors: Zhang Tao , Wang Tianyi , Fang Zhijie
Published: February 2016

A novel water soluble fluorescent probe based on C-glycoside with an aromatic aldehyde unit has been synthesized and its UV/Vis and fluorescence spectra, aggregation and disaggregation with bovine serum albumin were studied.
Microwave-assisted regioselective sulfenylation of indoles under solvent- and metal-free conditions
Authors: Rahaman Rajjakfur , Devi Namita , Bhagawati Jyoti Rekha , Barman Pranjit
Published: February 2016

Formation of 3-sulfenylindoles using sulfinic acid as a sulfenylating agent.
High transparent alternate copolymer of norbornene with isoprene catalyzed by bis(phenoxy–imine) titanium complex
Authors: Meng Jia-Feng , Li Xin , Ni Xu-Feng , Shen Zhi-Quan
Published: February 2016

A bis(phenoxy–imine) titanium complex and Al(i-Bu)3 were applied to obtain a novel highly transparent alternate copolymer of norbornene with isoprene.
Density functional theory study of the mechanism of a dipeptide-catalyzed intermolecular aldol reaction—the effects of steric repulsion interactions on stereoselectivity
Authors: Zhang Xiaofei , Pu Min
Published: February 2016

The mechanism of a dipeptide-catalyzed intermolecular aldol reaction was investigated using different calculated methods of DFT that few researches were concerned with and the detailed variations in the entire path were studied.
All solid supercapacitors based on an anion conducting polymer electrolyte
Authors: Xu Chenxi , Yan Jian , Qin Qingqing , Deng Yuming , Cheng Jigui , Zhang Yong , Wu Yucheng
Published: February 2016

Alkaline all solid supercapacitors based on a PBI–KOH solid electrolyte exhibit good rate capability and promising cycling stability.
Multiferroic PVDF–Fe3O4hybrid films with reduced graphene oxide and ZnO nanofillers
Authors: Abdelhamid Ehab H. , Jayakumar O. D. , Kotari Vasundhara , Mandal Balaji P. , Rao Rekha , Naik Vaman M. , Naik Ratna , Tyagi A. K.
Published: February 2016

Flexible and self-standing polyvinylidene fluoride (PVDF) films loaded with nanofillers, reduced graphene oxide (RGO), zinc oxide (ZnO) and magnetic iron oxide (Fe3O4) nanoparticles, were prepared by a solvent casting method.
New insight into the intrinsic instability of fcc ZrH2 by energy-resolved local bonding analysis
Authors: Wang Xin , Qiu Rui-Zhi , Xian Ya-Jiang , Zhang Yu-Ting , Liu Peng-Chuang , Zhang Peng-Cheng
Published: February 2016

The intrinsic instability of fcc ZrH2 stems from the peak of T2g and Eg orbitals at EF.
Anti-smudge behavior of facilely fabricated liquid-infused surfaces with extremely low contact angle hysteresis property
Authors: Chang Cheng-Chung , Wu Cyuan-Jhang , Sheng Yu-Jane , Tsao Heng-Kwong
Published: February 2016

Facile fabrication of hysteresis-free liquid-infused surfaces.
Heteroarchitectured Ag–Bi2O3–ZnO as a bifunctional nanomaterial
Authors: Balachandran Subramanian , Prakash Natarajan , Swaminathan Meenakshisundaram
Published: February 2016

Ag–Bi2O3–ZnO, fabricated by photodeposition–hydrothermal method, shows a morphology of intercrossed sheets and peanut shell structure. High methanol oxidation current of Ag–Bi2O3–ZnO reveals its potential as an anode catalyst in methanol fuel cells.
Polymerization of methylsilylenes into polymethylsilanes or polycarbosilanes after dechlorination of dichloromethylsilanes?
Authors: Tian Yuelong , Zhang Weigang , Ge Min , Yu Shouquan , Lv Xiaoxu , Zhang Tingting
Published: February 2016

The discovery that dimethylsilylene polymerized into polycarbosilane, not polydimethylsilane, suggests a metallocene catalytic polymerization of 1-silenes as analogues of polyolefins.
Asymmetric synthesis of allylic amines via hydroamination of allenes with benzophenone imine
Authors: Xu Kun , Wang Yu-Hsuan , Khakyzadeh Vahid , Breit Bernhard
Published: February 2016

Rhodium-catalyzed highly regio- and enantioselective hydroamination of allenes is reported.
Photochromic spiropyran- and spirooxazine-homopolymers in mesoporous thin films by surface initiated ROMP
Authors: Krohm F. , Kind J. , Savka R. , Alcaraz Janßen M. , Herold D. , Plenio H. , Thiele C. M. , Andrieu-Brunsen A.
Published: February 2016

A strategy towards photochromic SI-ROMP homopolymers based on spiropyran and spirooxazine in mesopores is presented and photochromism is systematically investigated using UV-VIS spectroscopy and NMR.
Facile patterning of amorphous indium oxide thin films based on a gel-like aqueous precursor for low-temperature, high performance thin-film transistors
Authors: Li Yuzhi , Lan Linfeng , Xiao Peng , Lin Zhenguo , Sun Sheng , Song Wei , Song Erlong , Gao Peixiong , Zhang Peng , Peng Junbiao
Published: February 2016

Facile patterning of chloride-based precursor films for low-temperature, high performance indium oxide thin-film transistors.
Bronchial epithelial innate and adaptive immunity signals are induced by polycyclic aromatic hydrocarbons
Authors: Meldrum Kirsty , Gant Timothy W. , Macchiarulo Sameirah , Leonard Martin O.
Published: February 2016

Polycyclic aromatic hydrocarbons including Benzo[a]pyrene have been recognised as important pollutant chemicals with the potential to influence the respiratory system in disease.
Biosensing using plasmonic nanohole arrays with small, homogenous and tunable aperture diameters
Authors: Xiong Kunli , Emilsson Gustav , Dahlin Andreas B.
Published: February 2016

Plasmonic nanohole arrays are widely used for optical label-free molecular detection.
Development of an electrochemical aptasensor for thrombin based on aptamer/Pd–AuNPs/HRP conjugates
Authors: Shen Guangyu , Zhang Songbai , Shen Guoli , Yu Ruqin
Published: February 2016

An electrochemical aptasensor for thrombin based on aptamer/Pd–AuNPs/HRP conjugates.
Regioselective Ir(iii)-catalyzed C–H alkynylation directed by 7-azaindoles
Authors: Liu Bin , Wang Xin , Ge Zemei , Li Runtao
Published: February 2016

Herein we report a novel iridium(iii)-catalyzed ortho-mono-alkynylation of 7-azaindoles. The reactions proceeded highly efficiently and selectively under mild conditions over a broad range of substrates with excellent functional group tolerance.
In situ synthesis of Cu/Ni alloy nanoparticles embedded in thin polymer layers
Authors: Shimizu Ryo , Kawakami Takaya , Takashima Yohei , Tsuruoka Takaaki , Akamatsu Kensuke
Published: February 2016

In situ formation of Cu–Ni alloy nanoparticles with controlled composition in thin polyimide layers was investigated.
A biodegradable, biocompatible transdermal device derived from carboxymethyl cellulose and multi-walled carbon nanotubes for sustained release of diclofenac sodium
Authors: Mandal Barun , Das Dipankar , Rameshbabu Arun Prabhu , Dhara Santanu , Pal Sagar
Published: February 2016

A hybrid nanocomposite hydrogel (CMC–MWCNT) has been fabricated using carboxymethyl cellulose (CMC) and acid-functionalized multi-walled carbon nanotubes (MWCNTs) at room temperature for transdermal delivery of diclofenac sodium.
Ag–Cu nanoparticles as efficient catalysts for transesterification of β-keto esters under acid/base-free conditions
Authors: Yue Hongmei , Yu Hao , Liu Sheng , Xu Chunli
Published: February 2016

For the first time transesterification of β-keto esters, conventional acid- or base-catalyzed reactions, has been catalyzed by Ag–Cu bimetallic nanoparticles with high activity.
Determination of total organic carbon on hybrid organic-inorganic mesoporous silica by FT-NIR spectroscopy
Authors: Oliverio M. , Bonacci S. , Nardi M. , Procopio A.
Published: February 2016

FT-NIR spectroscopy supported by PLS analysis was used as alternative to thermo-analytical techniques in prediction the organic loading of hybrid silica.