bluuebunny/crossref_metadata_2025 huggingface dataset:
Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study
Authors: Craco Luis , Leoni Stefano
Published: April 2017

Transport properties of tetragonal iron monosulfide, mackinawite, show a range of complex features. Semiconductive behavior and proximity to metallic states with nodal superconductivity mark this d-band system as unconventional quantum material. Here, we use the density functional dynamical mean-field theory (DFDMFT) scheme to comprehensively explain why tetragonal FeS shows both semiconducting and metallic responses in contrast to tetragonal FeSe which is a pseudogaped metal above the superconducting transition temperature. Within local-density-approximation plus dynamical mean-field theory (LDA+DMFT) we characterize its paramagnetic insulating and metallic phases, showing the proximity of mackinawite to selective Mott localization. We report the coexistence of pseudogaped and anisotropic Dirac-like electronic dispersion at the border of the Mott transition. These findings announce a new understanding of many-particle physics in quantum materials with coexisting Dirac-fermions and pseudogaped electronic states at low energies. Based on our results we propose that in electron-doped FeS substantial changes would be seen when the metallic regime was tuned towards an electronic state that hosts unconventional superconductivity.
The Height-Width-Depth Ratios of the Intervertebral Discs and Vertebral Bodies in Adolescent Idiopathic Scoliosis vs Controls in a Chinese Population
Authors: Chen Hao , Schlösser Tom P. C. , Brink Rob C. , Colo Dino , van Stralen Marijn , Shi Lin , Chu Winnie C. W. , Heng Pheng-Ann , Castelein René M. , Cheng Jack C. Y.
Published: April 2017

Adolescent idiopathic scoliosis (AIS) patients have been reported to be taller and more slender than normal controls, suggesting less mechanical stiffness of their trunk and spine. For assessment of mechanical stiffness, to our best knowledge this is the first to study height-width-depth relations at the level of the individual vertebra and disc in 3-D and to evaluate its relation with the Cobb angle severity. A unique series of high-resolution pre-operative computed tomographic (CT) scans of a total of 105 Chinese patients with moderate to severe AIS and 11 age-matched non-scoliotic controls were used for this study. It was found that some geometric relations differed between primary thoracic curves, secondary curves and normal controls at the individual affected vertebra and disc level. The scoliotic discs in the primary curves were relatively more slender (taller and thinner) than in secondary curves and as compared to controls. In the lumbar spinal area, the vertebral bodies were more slender in the primary as well as secondary AIS curves as compared to the controls. Therefore, if all material properties remain the same, our finding indicates that scoliotic spines may be mechanically less stiff than normal spines. No significant correlation between any of the measures and Cobb angle severity was found.
Greater cerebellar gray matter volume in car drivers: an exploratory voxel-based morphometry study
Authors: Sakai Hiroyuki , Ando Takafumi , Sadato Norihiro , Uchiyama Yuji
Published: April 2017

Previous functional neuroimaging studies have identified multiple brain areas associated with distinct aspects of car driving in simulated traffic environments. Few studies, however, have examined brain morphology associated with everyday car-driving experience in real traffic. Thus, the aim of the current study was to identify gray matter volume differences between drivers and non-drivers. We collected T1-weighted structural brain images from 73 healthy young adults (36 drivers and 37 non-drivers). We performed a whole-brain voxel-based morphometry analysis to examine between-group differences in regional gray matter volume. Compared with non-drivers, drivers showed significantly greater gray matter volume in the left cerebellar hemisphere, which has been associated with cognitive rather than motor functioning. In contrast, we found no brain areas with significantly greater gray matter volume in non-drivers compared with drivers. Our findings indicate that experience with everyday car driving in real traffic is associated with greater gray matter volume in the left cerebellar hemisphere. This brain area may be involved in abilities that are critical for driving a car, but are not commonly or frequently used during other daily activities.
High-Throughput Sequencing and Co-Expression Network Analysis of lncRNAs and mRNAs in Early Brain Injury Following Experimental Subarachnoid Haemorrhage
Authors: Peng Jianhua , Wu Yue , Tian Xiaocui , Pang Jinwei , Kuai Li , Cao Fang , Qin Xinghu , Zhong Jianjun , Li Xinshen , Li Yong , Sun Xiaochuan , Chen Ligang , Jiang Yong
Published: April 2017

Subarachnoid haemorrhage (SAH) is a fatal neurovascular disease following cerebral aneurysm rupture with high morbidity and mortality rates. Long non-coding RNAs (lncRNAs) are a type of mammalian genome transcript, are abundantly expressed in the brain and are involved in many nervous system diseases. However, little is currently known regarding the influence of lncRNAs in early brain injury (EBI) after SAH. This study analysed the expression profiles of lncRNAs and mRNAs in SAH brain tissues of mice using high-throughput sequencing. The results showed a remarkable difference in lncRNA and mRNA transcripts between SAH and control brains. Approximately 617 lncRNA transcripts and 441 mRNA transcripts were aberrantly expressed at 24 hours after SAH. Gene ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis indicated that the differentially expressed mRNAs were mostly involved in inflammation. Based on the lncRNA/mRNA co-expression network, knockdown of fantom3_F730004F19 reduced the mRNA and protein levels of CD14 and toll-like receptor 4 (TLR4) and attenuated inflammation in BV-2 microglia cells. These results indicate that lncRNA fantom3_F730004F19 may be associated with microglia induced inflammation via the TLR signaling pathway in EBI following SAH. LncRNA represent a potential therapeutic target for the prognosis, diagnosis, and treatment of SAH.
A graphene based frequency quadrupler
Authors: Cheng Chuantong , Huang Beiju , Mao Xurui , Zhang Zanyun , Zhang Zan , Geng Zhaoxin , Xue Ping , Chen Hongda
Published: April 2017

Benefit from exceptional electrical transport properties, graphene receives worldwide attentions, especially in the domain of high frequency electronics. Due to absence of effective bandgap causing off-state the device, graphene material is extraordinarily suitable for analog circuits rather than digital applications. With this unique ambipolar behavior, graphene can be exploited and utilized to achieve high performance for frequency multipliers. Here, dual-gated graphene field-effect transistors have been firstly used to achieve frequency quadrupling. Two Dirac points in the transfer curves of the designed GFETs can be observed by tuning top-gate voltages, which is essential to generate the fourth harmonic. By applying 200 kHz sinusoid input, arround 50% of the output signal radio frequency power is concentrated at the desired frequency of 800 kHz. Additionally, in suitable operation areas, our devices can work as high performance frequency doublers and frequency triplers. Considered both simple device structure and potential superhigh carrier mobility of graphene material, graphene-based frequency quadruplers may have lots of superiorities in regards to ultrahigh frequency electronic applications in near future. Moreover, versatility of carbon material system is far-reaching for realization of complementary metal-oxide-semiconductor compatible electrically active devices.
The relationship between allergic status and adenotonsillar regrowth: a retrospective research on children after adenotonsillectomy
Authors: Huo Zirong , Shi Jun , Shu Yilai , Xiang Mingliang , Lu Jingrong , Wu Hao
Published: April 2017

Adenotonsillar regrowth in children after adenotonsillectomy (T&A) for obstructive sleep apnea (OSA) is often seen in clinical treatment, however, the relationship between allergic disease and adenotonsillar regrowth remains unclear. In this retrospective study, children were assigned to either the recurrence or control group, and subdivided by age at operation. Among children over 36 months, those in the recurrence group had more allergic disease and higher IgE, IL-4, and IL-5 levels than the same-aged children in control group. The Paediatric Allergic Disease Quality of Life Questionnaire (PADQLQ) scores for nasal symptoms and activity were higher in children older than 36 months in recurrence group. The results of immunohistochemistry and immunofluorescence showed that FoxP3+ cells (Tregs) were less, while GATA3+ cells (Th2 cells) were more in recurrence group for all ages. Allergic status and low levels of FoxP3 were proved as independent risk factors for adenotonsillar regrowth by multivariate logistic regression. These results indicate that allergic disease is a risk factor for adenotonsillar regrowth in children following T&A for OSA, and this risk increases with age. The decreased level of Tregs and subsequent changes in immune function play an important role in the pathogenesis of adenotonsillar regrowth.
Reaction chemistry in rechargeable Li–O2batteries
Authors: Lim Hee-Dae , Lee Byungju , Bae Youngjoon , Park Hyeokjun , Ko Youngmin , Kim Haegyeom , Kim Jinsoo , Kang Kisuk
Published: April 2017

This progress report reviews the most recent discoveries regarding Li–O2chemistry during each discharge and charge process.
Nickel nanowires decorated with ultra-low palladium loading as an effective electrocatalyst for NaBH4 oxidation
Authors: Ye Ke , Ma Xiaokun , Cang Ruibai , Wang Gang , Cheng Kui , Wang Guiling , Cao Dianxue
Published: April 2017

The Pd/Ni nanowire electrode presents superior electrochemical activity and desirable stability towards NaBH4 electrooxidation in alkaline media.
Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution
Authors: Wu Dong-En , Wang Man-Ning , Luo Yang-Hui , Zhang Ya-Wen , Ma Yu-Heng , Sun Bai-Wang
Published: April 2017

Because of the differences in the position and degree of fluorine substitution, four fluorinated DSA derivatives, namely 4-BFSA, 3-BFSA, BDFSA and BTFSA, display different crystal packing and photophysical properties in the solid state.
Facile fabrication of a magnetic self-healing poly(vinyl alcohol) composite hydrogel
Authors: Chen Mingsen , Gong Guisheng , Zhou Li , Zhang Faai
Published: April 2017

This study proposes a simple method to fabricate a magnetic self-healing poly(vinyl alcohol) (ms-PVA) composite hydrogel.
A novel method for in situ synthesis of SERS-active gold nanostars on polydimethylsiloxane film
Authors: Fortuni B. , Fujita Y. , Ricci M. , Inose T. , Aubert R. , Lu G. , Hutchison J. A. , Hofkens J. , Latterini L. , Uji-i H.
Published: April 2017

A one-step method to form gold nanostars on a polydimethylsiloxane film is proposed for highly-sensitive SERS substrates.
An aza-BODIPY based near-infrared fluorescent probe for sensitive discrimination of cysteine/homocysteine and glutathione in living cells
Authors: Xiang Hui-Jing , Tham Huijun Phoebe , Nguyen Minh Duc , Fiona Phua Soo Zeng , Lim Wei Qi , Liu Jin-Gang , Zhao Yanli
Published: April 2017

A near-infrared fluorescent probe containing 7-nitrobenzo-2-oxa-1,3-diazole and aza-BODIPY units is developed for discriminative detection of glutathione from cysteine/homocysteine in living cells.
One-pot formation of hydrazide macrocycles with modified cavities: an example of pH-sensitive unimolecular cation channels
Authors: Xin Pengyang , Tan Si , Sun Yonghui , Ren Qiaojv , Dong Wenpei , Guo Jingjing , Jiang Tao , Chen Chang-Po
Published: April 2017

The number and position of carboxyls in the channel have a significant impact on the membrane-incorporation ability, ion selectivity and NH4+transport activity of the macrocyclic channels.
Highly efficient Tsuji–Trost allylation in water catalyzed by Pd-nanoparticles
Authors: Llevot A. , Monney B. , Sehlinger A. , Behrens S. , Meier M. A. R.
Published: April 2017

Palladium nanoparticles stabilized by poly(vinylpyrrolidone) catalyze Tsuji–Trost allylations in water with very high turnover numbers.
Asymmetric Faradaic systems for selective electrochemical separations
Authors: Su Xiao , Tan Kai-Jher , Elbert Johannes , Rüttiger Christian , Gallei Markus , Jamison Timothy F. , Hatton T. Alan
Published: April 2017

Asymmetric Faradaic system based on organometallic electrodes shows suppression of parasitic water reactions and remarkable selectivity in redox-mediated electrosorption of micropollutants.
Emerging approaches to stabilise photocorrodible electrodes and catalysts for solar fuel applications
Authors: Crespo-Quesada Micaela , Reisner Erwin
Published: April 2017

The protection and activation of fragile semiconductor electrodes and catalysts for efficient and stable solar water splitting is reviewed.
Safety evaluation and lipid-lowering effects of food-grade biopolymer complexes (ε-polylysine-pectin) in mice fed a high-fat diet
Authors: Song Mingyue , Lopez-Pena Cynthia Lyliam , McClements David Julian , Decker Eric Andrew , Xiao Hang
Published: April 2017

A 13-week feeding study was conducted in mice to determine the safety and lipid-lowering effects of ε-polylysine-pectin biopolymer complexes.
Core-substituted naphthalenediimides anchored on BiVO4 for visible light-driven water splitting
Authors: Hernández Simelys , Ottone Carminna , Proto Stefano , Tolod Kristhine , Díaz de los Bernardos Miriam , Solé-Daura Albert , Carbó Jorge J. , Godard Cyril , Castillón Sergio , Russo Nunzio , Saracco Guido , Claver Carmen
Published: April 2017

Smart photocatalysts based on BiVO4 coupled to novel noble-metal-free core-substituted naphthalenediimides for the sunlight-driven water splitting reaction.
Preparation of visible-light-driven BiOBr composites with heteropolyacids (H3PW12O40) encapsulated by a zeolite for the photo-degradation of methyl orange
Authors: Wang Qizhao , Niu Tengjiao , Jiao Danhua , Bai Yan , Zhong Junbo , Li Jianzhang , She Houde , Huang Haohao
Published: April 2017

BiOBr composites with heteropolyacids (H3PW12O40, PTA) were encapsulated within a zeolite using the impregnation method.
Ir-phosphate cocatalyst for photoelectrochemical water oxidation using α-Fe2O3
Authors: Irshad Ahamed , Munichandraiah Nookala
Published: April 2017

Ir-phosphate (Ir-Pi) cocatalyst on the surface of Fe2O3 acts as a redox shuttle and thus, reduces charge carrier recombination during PEC water oxidation reaction.
Twinning and its formation mechanism in a binary Mg2Si thermoelectric material with an anti-fluorite structure
Authors: Jang Jeong In , Lee Ji Eun , Kim Bong-Seo , Park Su-Dong , Lee Ho Seong
Published: April 2017

We investigated twinning and its formation mechanism in a binary Mg2Si thermoelectric material with an anti-fluorite structure.
Preparation of a Pt/TiO2/cotton fiber composite catalyst with low air resistance for efficient formaldehyde oxidation at room temperature
Authors: Nie Longhui , Wang Jie , Yu Jiaguo
Published: April 2017

Pt/TiO2/cotton fiber catalyst was successfully prepared with much lower air resistance than powder-like sample. It can catalyze oxidation of HCHO into CO2 and H2O with an optimum Pt loading of 0.75 wt%. It also exhibited good catalytic stability.
Dynamics of structural diffusion in phosphoric acid hydrogen-bond clusters
Authors: Suwannakham Parichart , Sagarik Kritsana
Published: April 2017

For protonated H3PO4 clusters, the Eigen–Zundel–Eigen mechanism is enhanced by fluctuations in the H-bond chain length and local-dielectric environment, and can proceed without the reorientation of H3PO4 molecules as in the case of neat liquid H3PO4.
Light conversion material: LiBaPO4:Eu2+, Pr3+, suitable for solar cell
Authors: Chen Yan , Wang Jing , Zhang Mei , Zeng Qingguang
Published: April 2017

We developed a light conversion material LiBaPO4:Eu2+, Pr3+. It can absorb the UV-Vis phonons of the solar spectrum and emit intense NIR light around 1000 nm, which matches well with the maximum spectral response of Si solar cells.
Rapid detection of mercury contamination in water by surface enhanced Raman spectroscopy
Authors: Sarfo Daniel K. , Sivanesan Arumugam , Izake Emad L. , Ayoko Godwin A.
Published: April 2017

Mercury (Hg) is a potent neurotoxin in fish, wildlife, and humans.
Laser-textured surface storing a carbon dots/poly(ethylene glycol)/chitosan gel with slow-release lubrication effect
Authors: Lu Hailin , Ren Shanshan , Zhang Pengpeng , Guo Junde , Li Jianhui , Dong Guangneng
Published: April 2017

Arthroplasty presents wear problems because body fluid, as the only lubricant, has poor performance.
A rhodamine-based chemosensor with diphenylselenium for highly selective fluorescence turn-on detection of Hg2+in vitro and in vivo
Authors: Venkatesan Parthiban , Thirumalivasan Natesan , Wu Shu-Pao
Published: April 2017

A rhodamine-B based chemosensor with diphenylselenium, RhoSe, has been developed for highly selective fluorescent turn-on detection of Hg2+.
Enzymatic synthesis of an electrospinnable poly(butylene succinate-co-dilinoleic succinate) thermoplastic elastomer
Authors: Sonseca Agueda , El Fray Miroslawa
Published: April 2017

Candida antarcticalipase B was successfully employed for the first time as a biocatalyst to obtain high molecular weight PBS : DLS copolyesterviaa two-stage method in diphenyl ether from diethyl succinate, 1,4-butanediol, and dimer linoleic diol.
One-pot synthesis of boron diketonate complexes: photophysical properties and sensor for picric acid
Authors: Sriram Babu Seenivasagaperumal , Shanmugam Sivakumar
Published: April 2017

Boron diketonate complexes were synthesized via a one-pot method.
Differential gene responses in the embryo of the green mussel Perna viridis exposed to dichlorodiphenyltrichloroethane (DDT)
Authors: Jiang Xiu , Tang Tianle , Zhao Hongwei , Song Qinqin , Zhou Hailong , Han Qian , Diao Xiaoping
Published: April 2017

DDT and its metabolites are well-known carcinogens, but the mechanisms underlying the carcinogenesis of the Perna viridis embryo are not fully understood.
Anxiety in 11-Year-Old Children Who Stutter: Findings From a Prospective Longitudinal Community Sample
Authors: Smith Kylie A. , Iverach Lisa , O'Brian Susan , Mensah Fiona , Kefalianos Elaina , Hearne Anna , Reilly Sheena
Published: April 2017

Purpose

To examine if a community sample of 11-year-old children with persistent stuttering have higher anxiety than children who have recovered from stuttering and nonstuttering controls.

Method

Participants in a community cohort study were categorized into 3 groups: (a) those with persistent stuttering, (b) those with recovered stuttering, and (c) nonstuttering controls. Linear regression modeling compared outcomes on measures of child anxiety and emotional and behavioral functioning for the 3 groups.

Results

Without adjustment for covariates (unadjusted analyses), the group with persistent stuttering showed significantly increased anxiety compared with the recovered stuttering group and nonstuttering controls. The group with persistent stuttering had a higher number of children with autism spectrum disorder and/or learning difficulties. Once these variables were included as covariates in subsequent analysis, there was no difference in anxiety, emotional and behavioral functioning, or temperament among groups.

Conclusion

Although recognized to be associated with stuttering in clinical samples, anxiety was not higher in school-age children who stutter in a community cohort. It may be that anxiety develops later or is less marked in community cohorts compared with clinical samples. We did, however, observe higher anxiety scores in those children who stuttered and had autism spectrum disorder or learning difficulties. Implications and recommendations for research are discussed.
Synthesis of 5-Arylpyrrole-2-carboxylic Acids as Key Intermediates for NBD Series HIV-1 Entry Inhibitors
Authors: Debnath Asim , Belov Dmitry , Ivanov Vladimir , Curreli Francesca , Kurkin Alexander , Altieri Andrea
Published: April 2017

5-Arylpyrrole-2-carboxylic acids are important key intermediates in the synthesis of HIV-1 entry inhibitors (such as NBD-11021 and NBD-14010). Here we present a general method for the synthesis of some 5-arylpyrrole-2-carboxylic acids in three steps starting from pyrrole. By this method, the compounds could be prepared on gram scale and without chromatographic purification.
Nucleophilic Addition of Amides to 10-Alkylacridinium Cations: A Case of Double N-Nucleophilicity of Some Monoamides
Authors: Borovlev Ivan , Demidov Oleg , Amangasieva Gulminat , Avakyan Elena
Published: April 2017

An effective synthesis of N-(10-alkyl-9,10-dihydroacridin-9-yl) derivatives of amides, ureas, and urethanes has been developed. Additionally, the spatially overloaded molecules of N,N-bis(10-alkyl-9,10-dihydroacridin-9-yl)acrylamide were obtained in the case of formamide and acrylamide.
Large Cysticercus in the Cerebellopontine Angle: Case Report
Authors: Kumar Sushil , Garg Amit , Handa Amit
Published: April 2017

Neurocysticercosis is an infection of the central nervous system caused by larvae of the pork tapeworm Taenia solium. We report a case of large cyst in the cerebellopontine angle that increased in size under observation and surgery revealed it to be cysticercus. It was removed in toto and patient improved on follow-up.
Noninvasive Ventilation in Newborns ≤ 1,500 g after Tracheal Extubation: Randomized Clinical Trial
Authors: Fontes Maria , Bhandari Vineet , Resende Camilla , Johnston Cintia , Ribeiro Simone
Published: April 2017

Objective Our aim was to compare the success of extubation in neonates managed with nonsynchronized intermittent nasal positive-pressure ventilation (nsNIPPV) and two modes of nasal continuous positive airway pressure (NCPAP) after the first extubation.

Study Design Randomized controlled clinical trial conducted in the neonatal intensive care unit (NICU) included infants with gestational age ≤ 34 weeks and birth weights (BW) 500 to 1,500 g with a diagnosis of respiratory distress syndrome (RDS), divided into three groups: ventilation with nsNIPPV, bubble-NCPAP, and ventilator-NCPAP. Extubation failure (EF) was defined as occurring within 48 hours after extubation.

Results We included 101 newborns: nsNIPPV (n = 36); bubble-NCPAP (n = 32) ventilator-NCPAP (n = 33). Overall, the extubation success rate was 81.2%. There were no skin, gastric, or pulmonary complications related to noninvasive ventilation (NIV) (p = 1). There was no difference between the groups regarding the success/EF (p = 0.4). There was extubation success in 81 (81.2%) cases, and EF occurred in 20 (19.8%), associated with longer invasive mechanical ventilation time (p < 0.001) and development of bronchopulmonary dysplasia (p = 0.04).

Conclusion In this trial, three modalities of NIV applied in the success/failure outcomes of extubation avoided reintubation in 80% of infants.
FC Bayern München goes social – the value of social media for professional sports clubs
Authors: Wulf Jochen , Söllner Matthias , Leimeister Jan Marco , Brenner Walter
Published: April 2017

In 2010, FC Bayern München (FCB), one of the world's most successful football clubs, had just finished a successful season from a commercial perspective as well as on the field. With regard to its digital service portfolio, FCB had successfully established its digital content distribution and an e-commerce platform. However, the club seemed to have missed one major trend: the rise of social media. European competitors were already attracting large crowds on Facebook. The management was unsure about how social media would contribute to the digital strategy. In this teaching case, students need to prepare materials for a board meeting in June 2010, in which the digital road map for the upcoming season has to be decided upon. Furthermore, they are supposed to reflect on FCB's evolution from today's perspective. This teaching case helps understand how value can be generated through the use of social media. Additionally, it illustrates how social media enriches content distribution and how it contributes to fan loyalty.
Four-dimensional coherent electronic Raman spectroscopy
Authors: Harel Elad
Published: April 2017

The correlations between different quantum-mechanical degrees of freedom of molecular species dictate their chemical and physical properties. Generally, these correlations are reflected in the optical response of the system but in low-order or low-dimensionality measurement the signals are highly averaged. Here, we describe a novel four-dimensional coherent spectroscopic method that directly correlates within and between the manifold of electronic and vibrational states. The optical response theory is developed in terms of both resonant and non-resonant field-matter interactions. Using resonance to select coherences on specific electronic states creates opportunities to directly distinguish coherent dynamics on the ground and electronically excited potentials. Critically, this method is free from lower-order signals that have plagued other electronically non-resonant vibrational spectroscopies. The theory presented here compliments recent work on the experimental demonstration of the 4D spectroscopic method described. We highlight specific means by which non-trivial effects such as anharmonicity (diagonal and off-diagonal), mode-specific vibronic coupling, and curvature of the excited states manifest in different projections of the 4D spectrum.
Equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields
Authors: Hampe Florian , Stopkowicz Stella
Published: April 2017

A program for the direct calculation of excitation energies of atoms and molecules in strong magnetic fields is presented. The implementation includes the equation-of-motion coupled-cluster singles-doubles (EOM-CCSD) method for electronically excited states as well as its spin-flip variant. Differences to regular EOM-CCSD implementations are due to the appearance of the canonical angular-momentum operator in the Hamiltonian causing the wave function to become complex. The gauge-origin problem is treated by the use of gauge-including atomic orbitals. Therefore, a modified Davidson method for diagonalizing complex non-Hermitian matrices is used. Excitation energies for selected atoms and molecules that are of importance in the astrochemical context are presented and their dependence on the magnetic field is discussed.
Synchronizing single-shot high-energy iodine photodissociation laser PALS and high-repetition-rate femtosecond Ti:sapphire laser system
Authors: Dostal J. , Dudzak R. , Pisarczyk T. , Pfeifer M. , Huynh J. , Chodukowski T. , Kalinowska Z. , Krousky E. , Skala J. , Hrebicek J. , Medrik T. , Golasowski J. , Juha L. , Ullschmied J.
Published: April 2017

A system of precise pulse synchronization between a single-shot large-scale laser exploiting an acousto-optical modulator and a femtosecond high repetition rate laser is reported in this article. This opto-electronical system has been developed for synchronization of the sub-nanosecond kJ-class iodine photodissociation laser system (Prague Asterix Laser System—PALS) with the femtosecond 25-TW Ti:sapphire (Ti:Sa) laser operating at a repetition rate 1 kHz or 10 Hz depending on the required energy level of output pulses. At 1 kHz synchronization regime, a single femtosecond pulse of duration about 45 fs and a small energy less than 1 mJ are exploited as a probe beam for irradiation of a three-frame interferometer, while at 10 Hz repetition rate a single femtosecond pulse with higher energy about 7–10 mJ is exploited as a probe beam for irradiation of a two-channel polaro-interferometer. The synchronization accuracy ±100 ps between the PALS and the Ti:Sa laser pulses has been achieved in both regimes of synchronization. The femtosecond interferograms of laser-produced plasmas obtained by the three-frame interferometer and the femtosecond polarimetric images obtained by the two-frame polaro-interferometer confirm the full usefulness and correct functionality of the proposed method of synchronization.
Incorporating nuclear vibrational energies into the “atom in molecules” analysis: An analytical study
Authors: Gharabaghi Masumeh , Shahbazian Shant
Published: April 2017

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.
Experimental determination of the interatomic potential in LiNbO3 via ultrafast lattice control
Authors: Dastrup Blake S. , Hall Jacob R. , Johnson Jeremy A.
Published: April 2017

We present a direct comparison between resonant terahertz (THz) and nonresonant impulsive stimulated Raman scattering (ISRS) excitation of phonon-polaritons in ferroelectric lithium niobate. THz excitation offers advantages of selectively driving only the forward propagating phonon-polariton mode to exceedingly high amplitudes, without complications due to nonlinear processes at the high 800 nm pump fluences used in Raman excitation. At peak-to-peak THz electric field strengths exceeding 1 MV/cm, the ferroelectric lattice is driven into the anharmonic regime, allowing experimental determination of the shape of the potential energy surface along this vibrational coordinate.
Diffraction based method to reconstruct the spectrum of the Thomson scattering x-ray source
Authors: Chi Zhijun , Yan Lixin , Zhang Zhen , Zhou Zheng , Zheng Lianmin , Wang Dong , Tian Qili , Wang Wei , Nie Zan , Zhang Jie , Du Yingchao , Hua Jianfei , Shi Jiaru , Pai Chihao , Lu Wei , Huang Wenhui , Chen Huaibi , Tang Chuanxiang
Published: April 2017

As Thomson scattering x-ray sources based on the collision of intense laser and relativistic electrons have drawn much attention in various scientific fields, there is an increasing demand for the effective methods to reconstruct the spectrum information of the ultra-short and high-intensity x-ray pulses. In this paper, a precise spectrum measurement method for the Thomson scattering x-ray sources was proposed with the diffraction of a Highly Oriented Pyrolytic Graphite (HOPG) crystal and was demonstrated at the Tsinghua Thomson scattering X-ray source. The x-ray pulse is diffracted by a 15 mm (L) ×15 mm (H)× 1 mm (D) HOPG crystal with 1° mosaic spread. By analyzing the diffraction pattern, both x-ray peak energies and energy spectral bandwidths at different polar angles can be reconstructed, which agree well with the theoretical value and simulation. The higher integral reflectivity of the HOPG crystal makes this method possible for single-shot measurement.
Validation of thermal conductivity in magnetized plasmas using particle-in-cell simulations
Authors: Asahina T. , Nagatomo H. , Sunahara A. , Johzaki T. , Hata M. , Mima K. , Sentoku Y.
Published: April 2017

The validity of three thermal conductivity models for magnetized plasmas developed by Braginskii [Reviews of Plasma Physics (Consultants Bureau, New York, 1965), Vol. 1], by Epperlein and Haines [Phys. Fluids 29, 1029 (1986)], and by Ji and Held [Phys. Plasmas 13, 042114 (2013)] was evaluated by one-dimensional collisional particle-in-cell (PIC) simulations. Although the accuracy of Braginskii model had been improved in Epperlein-Haines and Ji-Held models, they still have potential source of error: Epperlein and Haines numerically solved the first-order Fokker-Planck equation and fit their results with ∼15% error, while Ji and Held analytically solved the same equation ignoring the high order terms of Sonine polynomial expansion of distribution function. The results of the PIC simulations in this study showed that Ji-Held model gives a more accurate thermal conductivity than Braginskii and Epperlein-Haines models within the Hall parameter range 0 < χ < 0.9 with an ion charge state Z = 4. In the simulation, slower electrons contributed to thermal conduction in transverse direction compared to that in no magnetic field because of the short energy transport distance of cyclotron motion. Moreover, since collisional slowdown produces net heat flux in transverse direction along temperature gradient, slow and collisional electrons were much more effective for thermal conduction in this direction. The validity of Ji-Held model can be understood as a result of the good description of slow electrons, since higher order terms describe lower velocity part of distribution function, which is relevant to thermal conduction in magnetic fields.
Fractal analysis of positive pulsed streamer pattern underwater
Authors: Yang Zhibo , Zhang Chaohai
Published: April 2017

A positive pulsed streamer discharge underwater in the rod-to-ring electrode observed by high speed camera was studied in the previous work [Akiyama et al., IEEE Trans. Plasma Sci. 42, 3215 (2014)]. Our observation showed that the pattern of positive discharge was a bush like streamer in both tap water and pure water. The fractal analysis by box-counting method was used to estimate the streamer discharge characteristics. The conclusion showed that (1) the tap water (D = 1.7686) has obviously higher value than pure water (D = 1.6491). (2) In temporal evolution process, the discharge development can be quantified by means of fractal dimensions.
Rabbit haemorrhagic disease: Macquarie Island rabbit eradication adds to knowledge on both pest control and epidemiology
Authors: Cooke Brian , Springer Keith , Capucci Lorenzo , Mutze Greg
Published: April 2017

Rabbit haemorrhagic disease virus (RHDV), introduced into in Australia and New Zealand as a biological-control agent for wild rabbits, is least efficacious in cool humid areas where a non-pathogenic calicivirus (RCV-A1) also circulates. Heavy rabbit mortality following release of RHDV on cold sub-Antarctic Macquarie Island, where RCV-A1 was apparently absent, not only complemented the planned rabbit eradication operations, especially by reducing secondary poisoning of sea-birds from aerial baiting, but also ruled out cool or humid climate as a major limiting factor of disease spread. In turn, this has advanced the idea that RCV-A1 antibodies inhibit RHDV spread as well as reducing disease severity and mortality.
Ambiguity in the causes for decadal trends in atmospheric methane and hydroxyl
Authors: Turner Alexander J. , Frankenberg Christian , Wennberg Paul O. , Jacob Daniel J.
Published: April 2017

Significance

Recent trends in atmospheric methane are not well understood as evidenced by multiple hypotheses proposed to explain the stabilization of methane concentrations in the early 2000s and the renewed growth since 2007. Here we use a multispecies inversion to determine the cause of these decadal trends. The most likely explanation for the renewed growth in atmospheric methane involves a decrease in hydroxyl (OH), the main sink for atmospheric methane, that is partially offset by a decrease in methane emissions. However, we also demonstrate that the problem of attributing methane trends from the current surface observation network, including isotopes, is underdetermined and does not allow unambiguous attribution of decadal trends.
Role of atmospheric oxidation in recent methane growth
Authors: Rigby Matthew , Montzka Stephen A. , Prinn Ronald G. , White James W. C. , Young Dickon , O’Doherty Simon , Lunt Mark F. , Ganesan Anita L. , Manning Alistair J. , Simmonds Peter G. , Salameh Peter K. , Harth Christina M. , Mühle Jens , Weiss Ray F. , Fraser Paul J. , Steele L. Paul , Krummel Paul B. , McCulloch Archie , Park Sunyoung
Published: April 2017

Significance

Methane, the second most important greenhouse gas, has varied markedly in its atmospheric growth rate. The cause of these fluctuations remains poorly understood. Recent efforts to determine the drivers of the pause in growth in 1999 and renewed growth from 2007 onward have focused primarily on changes in sources alone. Here, we show that changes in the major methane sink, the hydroxyl radical, have likely played a substantial role in the global methane growth rate. This work has significant implications for our understanding of the methane budget, which is important if we are to better predict future changes in this potent greenhouse gas and effectively mitigate enhanced radiative forcing caused by anthropogenic emissions.
Single-cell analysis of HIV-1 transcriptional activity reveals expression of proviruses in expanded clones during ART
Authors: Wiegand Ann , Spindler Jonathan , Hong Feiyu F. , Shao Wei , Cyktor Joshua C. , Cillo Anthony R. , Halvas Elias K. , Coffin John M. , Mellors John W. , Kearney Mary F.
Published: April 2017

Significance

Previously, we showed that the virus that persists in human immunodeficiency virus (HIV)-infected individuals on antiretroviral therapy (ART) is derived from cells infected prior to initiating treatment. We also showed that HIV-infected cells can undergo cellular proliferation during ART. However, it is not known what fraction of infected cells that persist during ART are latent and what fraction are actively producing HIV RNA. The method described here was developed to determine the fraction of infected cells that produce HIV RNA and the levels of HIV RNA in single cells, including cells that have undergone cellular proliferation. Additionally, the method can be used to identify the sources of rebound virus after stopping ART and the efficacy of experimental interventions designed to cure HIV infection.
Coding of navigational affordances in the human visual system
Authors: Bonner Michael F. , Epstein Russell A.
Published: April 2017

Significance

As we move about the world, we use vision to determine where we can go in our local environment and where our path is blocked. Despite the ubiquity of this problem, little is known about how it is solved by the brain. Here we show that a specific region in the human visual system, known as the occipital place area, automatically encodes the structure of navigable space in visual scenes, thus providing evidence for a bottom-up visual mechanism for perceiving potential paths for movement in one’s immediate surroundings. These findings are consistent with classic theoretical work predicting that sensory systems are optimized for processing environmental features that afford ecologically relevant behaviors, including the fundamental behavior of navigation.
Alterations in cellular metabolism triggered by
URA7
or
GLN3
inactivation cause imbalanced dNTP pools and increased mutagenesis
Authors: Schmidt Tobias T. , Reyes Gloria , Gries Kerstin , Ceylan Cemile Ümran , Sharma Sushma , Meurer Matthias , Knop Michael , Chabes Andrei , Hombauer Hans
Published: April 2017

Significance

The duplication of the genetic information (DNA) requires high accuracy to prevent potentially deleterious genetic alterations (mutations). The fidelity of this reaction depends on DNA polymerase selectivity and proofreading functions, postreplicative mismatch repair (MMR), and the abundance of dNTPs, the building blocks of DNA. Here, in a genome-wide screen in budding yeast, we uncovered a group of genes required for high-fidelity DNA replication. When these genes are absent, cells are prone to incorporate incorrect nucleotides, and consequently they heavily rely on DNA polymerase functions and MMR to prevent severe hypermutability. These findings suggest that similar genetic interactions could play a role in human cancer, where inactivation of these genes might act as “minidrivers” that facilitate tumor evolution.
Deubiquitinase YOD1 potentiates YAP/TAZ activities through enhancing ITCH stability
Authors: Kim Youngeun , Kim Wantae , Song Yonghee , Kim Jeong-Rae , Cho Kyungjoo , Moon Hyuk , Ro Simon Weonsang , Seo Eunjeong , Ryu Yeon-Mi , Myung Seung-Jae , Jho Eek-Hoon
Published: April 2017

Significance

The Hippo pathway restricts cell proliferation and plays key roles in organ size control and tissue homeostasis. The crucial step of this pathway is the regulation of the transcriptional coactivators YAP/TAZ by LATS1/2 kinases. We report in the present study that deubiquitinase YOD1 acts as a positive regulator of YAP/TAZ in controlling organ size. The significance of our study is the discovery of a regulatory mechanism for the Hippo pathway: high cell density miR-21−YOD1−ITCH−LATS signaling cascade, which is parallel to a previously known high cell density MST1/2−LATS signaling cascade. Data from harnessing a mouse model that allowed inducible human YOD1 expression in mouse liver and liver cancer patients suggest mechanistic insights to expand our understanding about regulation of the Hippo pathway.
Zeaxanthin-dependent nonphotochemical quenching does not occur in photosystem I in the higher plant
Arabidopsis thaliana
Authors: Tian Lijin , Xu Pengqi , Chukhutsina Volha U. , Holzwarth Alfred R. , Croce Roberta
Published: April 2017

Significance

Carotenoids play essential roles in protecting plants from photodamage. In particular, zeaxanthin is synthesized in high light, and it is important for the fast response of plants to high-light stress. The role of zeaxanthin in photosystem II fluorescence quenching has been extensively studied, but a recent report has shown that it can also be involved in photosystem I (PSI) quenching. However, these results have been obtained using a mutant of the higher plant
Arabidopsis thaliana
, which contains zeaxanthin constitutively. Here, we have tested this suggestion in biologically relevant conditions. We show that zeaxanthin does not lead to PSI quenching, but it is probably involved in PSI protection indirectly. Our findings highlight the fact that two photosystems possess fundamentally different photoprotective mechanisms.
Massive horizontal transfer of transposable elements in insects
Authors: Peccoud Jean , Loiseau Vincent , Cordaux Richard , Gilbert Clément
Published: April 2017

Significance

Eukaryotes normally receive their genetic material from their parents but may occasionally, like prokaryotes do, acquire DNA from unrelated organisms through horizontal transfer (HT). In animals and plants, HT mostly concerns transposable elements (TEs), probably because these pieces of DNA can move within genomes. Assessing the impact of HTs on eukaryote evolution and the factors shaping the dynamics of these HTs requires large-scale systematic studies. We have analyzed the genomes from 195 insect species and found that no fewer than 2,248 events of HT of TEs occurred during the last 10 My, particularly between insects that were closely related and geographically close. These results suggest that HT of TEs plays a major role in insect genome evolution.
Effect of cholesterol on the molecular structure and transitions in a clinical-grade lung surfactant extract
Authors: Andersson Jenny Marie , Grey Carl , Larsson Marcus , Ferreira Tiago Mendes , Sparr Emma
Published: April 2017

Significance

Cholesterol is currently removed from most lung surfactant extract preparations used in clinical applications. Cholesterol-depleted samples are also used in most in vitro studies of the lung surfactant layer. In our study we have performed a detailed molecular characterization of the structure of the lung surfactant with regard to cholesterol content and temperature. We show that cholesterol has a strong impact on the phase behavior, structure, and dynamics of the lung surfactant system even at low concentrations. We emphasize the importance of controlling the cholesterol content of the lung surfactant system studied to better mimic the endogenous lung surfactant and develop better preparations for clinical treatments.
Structural toggle in the RNaseH domain of Prp8 helps balance splicing fidelity and catalytic efficiency
Authors: Mayerle Megan , Raghavan Madhura , Ledoux Sarah , Price Argenta , Stepankiw Nicholas , Hadjivassiliou Haralambos , Moehle Erica A. , Mendoza Senén D. , Pleiss Jeffrey A. , Guthrie Christine , Abelson John
Published: April 2017

Significance

The spliceosome, which catalyzes pre-mRNA splicing via a two-step process, must balance the need for high-fidelity splice-site selection with the need for rapid, efficient splicing. We propose that the RNaseH domain (RH) of Prp8 contributes to this balance by toggling between two different conformations throughout the splicing cycle. Using a set of previously published
prp8
alleles, we link alleles that stabilize one conformation of RH to high-fidelity, low-efficiency splicing and those that stabilize the other to low-fidelity, high-efficiency splicing. This model is consistent with recent data that indicate the conformation of the spliceosome is similar at both catalytic steps and provides an example of a structural basis for splicing fidelity.
Halal food certification in the UK and its impact on food businesses: a review in the context of the European Union.
Authors: Fuseini A.
Published: April 2017

The majority of Muslims only consume Halal food because they believe the consumption of such foods is a commandment from Allah (God). Whilst Halal food may be readily available in Muslim-majority countries, Muslims living in the West often encounter a great deal of difficulty in finding Halal food. This led to the establishment of several unregulated Halal Certification Bodies (HCBs) within the European Union and other industrialized economies in an effort to assure Halal consumers that Halal certified products are consistent with the Islamic dietary laws. However, these HCBs operate according to varying Halal standards, brought about by differences in opinion regarding the interpretation of some aspects of the Islamic dietary laws enshrined in the Quran (Islamic Holy Book) and
Hadith
(Teachings of the Prophet of Islam). This has created confusion among food businesses and Halal consumers regarding what is true Halal, it also particularly makes the regulation of HCBs very cumbersome. This paper aims to review literature on the economic significance of the Halal food market and explore the activities of HCBs and the impact of these on UK Halal food businesses.