bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational prediction of optimal metal ions to induce coordinated polymerization of muscle-like [c2]daisy chains
Authors: Zhao Yan-Ling , Zhang Rui-Qin , Minot Christian , Hermann Klaus , Van Hove Michel A.
Published: February 2016

Schematic representations of the polymerized [c2]daisy chain linked with Fe2+ in contracted vs. elongated forms by computational simulation.
Direct preparation of high quality graphene on dielectric substrates
Authors: Chen Xin , Wu Bin , Liu Yunqi
Published: February 2016

Recent advances in the field of the direct growth of graphene on dielectric substrates are described.
Quantum dots derived from two-dimensional materials and their applications for catalysis and energy
Authors: Wang Xuewan , Sun Gengzhi , Li Nan , Chen Peng
Published: February 2016

Equipped with a wide range of extraordinary and tailorable properties, quantum dots derived from two-dimensional materials promise a spectrum of novel applications including catalysis and energy.
Boron induced structure modifications in Pd–Cu–B system: new Ti2Ni-type derivative borides Pd3Cu3B and Pd5Cu5B2
Authors: Sologub Oksana , Salamakha Leonid P. , Eguchi Gaku , Stöger Berthold , Rogl Peter F. , Bauer Ernst
Published: February 2016

Arrangements of B structural units in the new Ti2Ni-type derivative structures.
Chemically exfoliated transition metal dichalcogenide nanosheet-based wearable thermoelectric generators
Authors: Oh Jin Young , Lee Ji Hoon , Han Sun Woong , Chae Soo Sang , Bae Eun Jin , Kang Young Hun , Choi Won Jin , Cho Song Yun , Lee Jeong-O , Baik Hong Koo , Lee Tae Il
Published: February 2016

A wearable thermoelectric generator, woven on a wristband, consisting of chemically exfoliated n- and p-type transition metal dichalcogenide nanosheets.
Prediction of disinfection by-product formation in drinking water via fluorescence spectroscopy
Authors: Trueman Benjamin F. , MacIsaac Sean A. , Stoddart Amina K. , Gagnon Graham A.
Published: February 2016

Fluorescence spectroscopy has potential applications for monitoring disinfection by-products (DBPs) during water treatment. This paper demonstrates the novel application of several statistical learning algorithms for fluorescence-based DBP prediction.
Hydrogen analysis in diamond-like carbon by glow discharge optical emission spectroscopy
Authors: Takahara Hikari , Ishigami Ryoya , Kodama Kenji , Kojyo Atsushi , Nakamura Tatsuya , Oka Yoshihiro
Published: February 2016

Glow discharge-optical emission spectroscopy (GD-OES) was evaluated for hydrogen analysis in diamond-like carbon (DLC) films.
A hybrid quantification model and its application for coal analysis using laser induced breakdown spectroscopy
Authors: Hou Zongyu , Wang Zhe , Yuan Tingbi , Liu Jianmin , Li Zheng , Ni Weidou
Published: February 2016

This work presents a hybrid quantification model for LIBS.
Probing fatty acid metabolism in bacteria, cyanobacteria, green microalgae and diatoms with natural and unnatural fatty acids
Authors: Beld Joris , Abbriano Raffaela , Finzel Kara , Hildebrand Mark , Burkart Michael D.
Published: February 2016

In both eukaryotes and prokaryotes, fatty acid synthases are responsible for the biosynthesis of fatty acids in an iterative process, extending the fatty acid by two carbon units every cycle.
Insights into the properties of the two enantiomers of trans-δ-viniferin, a resveratrol derivative: antioxidant activity, biochemical and molecular modeling studies of its interactions with hemoglobin
Authors: Ficarra Silvana , Tellone Ester , Pirolli Davide , Russo Annamaria , Barreca Davide , Galtieri Antonio , Giardina Bruno , Gavezzotti Paolo , Riva Sergio , De Rosa Maria Cristina
Published: February 2016

This study first reports the biological activity of the individual enantiomers of a resveratrol-related dimer.
Oxidative cleavage of 1-aryl-isochroman derivatives using the Trametes villosa laccase/1-hydroxybenzotriazole system
Authors: Bernini Roberta , Crisante Fernanda , D’Acunzo Francesca , Gentili Patrizia , Ussia Emanuele
Published: February 2016

Dimethyl carbonate was firstly used as a co-solvent in a green oxidative cleavage of 1-aryl-isochroman derivatives yielding useful synthetic intermediates of drugs.
Clean graphene interfaces by selective dry transfer for large area silicon integration
Authors: Na S. R. , Rahimi S. , Tao L. , Chou H. , Ameri S. K. , Akinwande D. , Liechti K. M.
Published: February 2016

Graphene grown by chemical vapor deposition on a silicon wafer can be selectively transferred to a second wafer by delamination along the graphene/copper interface or the copper/silicon oxide interfaces of the seed wafer by controlling the separation rate.
Carbon coating may expedite the fracture of carbon-coated silicon core–shell nanoparticles during lithiation
Authors: Li Weiqun , Cao Ke , Wang Hongtao , Liu Jiabin , Zhou Limin , Yao Haimin
Published: February 2016

Carbon coating is found to exacerbate the fracture of silicon nanoparticles during lithiation. Mechanics-based explanation and solution are proposed.
Ultrasound-responsive ultrathin multiblock copolyamide vesicles
Authors: Huang Lei , Yu Chunyang , Huang Tong , Xu Shuting , Bai Yongping , Zhou Yongfeng
Published: February 2016

Novel ultrasound-responsive polymer vesicles with ultrathin walls and a special packing model were generated from an amphiphilic multiblock copolyamide.
RAFT polymerization of N-vinylpyrrolidone mediated by cyanoprop-2-yl-1-dithionaphthalate in the presence of a fluoroalcohol: the possibility of altering monomer properties by hydrogen bonding?
Authors: Liu Qingqing , Wu Huaqiao , Zhang Liuqiao , Zhou Yu , Zhang Wei , Pan Xiangqiang , Zhang Zhengbiao , Zhu Xiulin
Published: February 2016

This work illustrated the possibility of altering the monomer properties by using the hydrogen bonding interaction.
Design of folic acid conjugated chitosan nano-cur–bioenhancers to attenuate the hormone-refractory metastatic prostate carcinoma by augmenting oral bioavailability
Authors: Sharma Monika , Sharma Shweta , Sharma Vikas , Agarwal Satish , Dwivedi Pankaj , Paliwal Sarvesh K. , Maikuri Jagdamba Prasad , Dwivedi Anil K. , Gupta Gopal , Mishra Prabhat R. , Rawat A. K. S.
Published: February 2016

Folic acid conjugated nano-cur–bioenhancer as a functional P-glycoprotein inhibitor enhancing oral bioavailability of curcumin.
A new efficient technology for refractory phenol-formaldehyde resin wastewater treatment
Authors: Cui Wei , Cui Zhaojie , Zhang Na , Ma Qianchi , Liu Lei , Zhang Xu
Published: February 2016

This is the schematic diagram of the combined CAOP–coagulation–mechanical membrane filtration process for phenol-formaldehyde resin wastewater pretreatment.
Effects of nitrogen-dopants on Ru-supported catalysts for acetylene hydrochlorination
Authors: Hou Lijun , Zhang Jinli , Pu Yanfeng , Li Wei
Published: February 2016

A series of N-doped spherical active carbons were synthesizedviathe pyrolysis of melamine in activated carbon, and used as a support to prepare Ru-based catalysts for an acetylene hydrochlorination reaction.
A new approach for pyrene bioremediation using bacteria immobilized in layer-by-layer assembled microcapsules: dynamics of soil bacterial community
Authors: Deng Fucai , Liao Changjun , Yang Chen , Guo Chuling , Ma Lin , Dang Zhi
Published: February 2016

Pyrene-degrading bacteria immobilized in layer-by-layer assembled microcapsules were prepared and inoculated into pyrene-contaminated soil. The microcapsules enhanced the pyrene removal ability and improved the bacterial community construction.
Phosphorhydrazide inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study
Authors: Gholivand Khodayar , Asadi Lida , Ebrahimi Valmoozi Ali Asghar , Hodaii Meraat , Sharifi Mahboobeh , Kashani Hadi Mazruee , Mahzouni Hamid Reza , Ghadamyari Mohammad , Kalate Ali Asghar , Davari Ehsan , Salehi Sami , Bonsaii Mahyar
Published: February 2016

A series of 23 novel phosphorhydrazide derivatives were synthesized and characterized by spectral techniques, and their anti-ChE, antibacterial and insecticide activities were investigated.
Facile synthesis of graphene using a biological method
Authors: Salunke Bipinchandra K. , Kim Beom Soo
Published: February 2016

A new, facile, low cost, environmentally safe process is demonstrated for the production of few layer graphene by liquid phase exfoliation of graphite using extracts of medicinal plants in water.
Synthesis, insecticidal and fungicidal activities of methyl 2-(methoxyimino)-2-(2-((1-(N′-nitrocarbamimidoyl)-2-hydrocarbylidenehydrazinyl)methyl)phenyl)acetates
Authors: Yuan Xiaoyong , Jia Changqing , Ma Yongqiang , Yang Dongyan , Rui Changhui , Qin Zhaohai
Published: February 2016

By combining the sub-structures of strobilurin and guadipyr analogues in one molecule, a series of compounds was designed and synthesized. Some compounds showed excellent insecticidal activity or fungicidal activity.
Optimized mixed ionic–electronic conductivity in two-phase ceria–zirconia composite with cobalt oxide and Na2CO3as suitable additives
Authors: Maheshwari Aditya , Wiemhöfer Hans-Dieter
Published: February 2016

Excellent mixed ionic–electronic conduction was achieved in composite membranes of Ta doped ceria (TDC) and Y doped zirconia (YSZ) by suitable amounts of cobalt oxide and sodium carbonate.
Well-defined silicon patterns by imprinting of liquid silicon
Authors: Kawajiri Ryo , Takagishi Hideyuki , Masuda Takashi , Kaneda Toshihiko , Yamazaki Ken , Matsuki Yasuo , Mitani Tadaoki , Shimoda Tatsuya
Published: February 2016

“Liquid silicon”, a polymeric precursor for semiconducting silicon, was directly imprinted to form well-defined silicon patterns.
A competitive coordination-based CeO2 nanowire–DNA nanosensor: fast and selective detection of hydrogen peroxide in living cells and in vivo
Authors: Gao Wen , Wei Xueping , Wang Xuejun , Cui Guanwei , Liu Zhenhua , Tang Bo
Published: February 2016

A competitive coordination-based CeO2 nanowire–DNA nanosensor is developed for the fast and selective detection of H2O2 in living cells and in vivo.
Insight into the band structure engineering of single-layer SnS2 with in-plane biaxial strain
Authors: Zhou Wei , Umezawa Naoto
Published: February 2016

The effects of in-plane biaxial strain on the electronic structure of a photofunctional material, single-layer SnS2, were systematically investigated using hybrid density functional calculations.
The impact mitigation of a heterojunction nanotube–water system: behavior and mechanism
Authors: Hu Dayong , Jiang Hanlin , Meng Kangpei , Xu Jun , Lu Weiyi
Published: February 2016

The energy mitigation mechanism of a heterojunction CNT–water system is investigated by tuning the nanopore geometry parameters and impact energy.
Taking bismuthinite to bismuth sulfide nanorods in two easy steps
Authors: Senevirathna Dimuthu. C. , Blair Victoria. L. , Werrett Melissa. V. , Andrews Philip C.
Published: February 2016

Treatment of bismuthinite with aryldithioc acids under sonication leads easily to the formation and isolation of bismuth(iii) aryldithioate complexes [Bi(S2CAr)3] which decompose readily to give well formed Bi2S3 nanorods.
Biological evaluation of quinoline derivatives as inhibitors of human dihydroorotate dehydrogenase
Authors: Wang Jiawei , Diao Yanyan , Zhu Junsheng , Li Shiliang , Zhao Zhenjiang , Li Honglin , Zhu Lili
Published: February 2016

Compound A9 was identified as an inhibitor against hDHODH and its interactions were verified by TSA, SPR and X-ray crystallography.
Preparation and characterization of colloidal copper xanthate nanoparticles
Authors: Mikhlin Yuri , Vorobyev Sergey , Saikova Svetlana , Tomashevich Yevgeny , Fetisova Olga , Kozlova Svetlana , Zharkov Sergey
Published: February 2016

Colloids formed by the direct interaction of aqueous Cu2+ ions and xanthates were characterized along with their precipitates incorporating dixanthogen.
Efficient one-pot synthesis of 1-arylcycloprop-2-ene-1-carboxamides
Authors: Edwards Andrew , Rubin Michael
Published: February 2016

An expeditious and cost-efficient method for synthesis of 1-aryl-cycloprop-2-ene-1-carboxamides was developed. This one-pot protocol involving coupling of amines with acyl chlorides, generated upon treatment of cyclopenylcarboxylic acids with oxalyl chloride, is applicable for the preparation of sensitive products with a reactive, unsubstituted strained double bond.
Hollow mesoporous SiO2 sphere nanoarchitectures with encapsulated silver nanoparticles for catalytic reduction of 4-nitrophenol
Authors: Li Weiqiang , Ge Xiao , Zhang Hao , Ding Qianqian , Ding Hualin , Zhang Yunxia , Wang Guozhong , Zhang Haimin , Zhao Huijun
Published: February 2016

Ag@hm-SiO2 nanoreactors with the multi-cores/shell configuration have been successfully synthesized via an effective pre-shell/post-core strategy combined with the laser ablation treatment.
Ag sensitized TiO2 and NiFe2O4 three-component nanoheterostructures: synthesis, electronic structure and strongly enhanced visible light photocatalytic activity
Authors: Šutka Andris , Käämbre Tanel , Pärna Rainer , Döbelin Nicola , Vanags Martins , Smits Krisjanis , Kisand Vambola
Published: February 2016

This study reports on the synthesis and characterisation of two- and three-component visible light active photocatalytic nanoparticle heterostructures, based on TiO2 and NiFe2O4 and sensitized with Ag.
Cu@Sn nanostructures based on light-weight current collectors for superior reversible lithium ion storage
Authors: Lin Ruoxu , Zhang Shichao , Ren Yanbiao , Wu Xiaomeng , Fang Hua , Wei Xin
Published: February 2016

The welding process makes good progress to reduce the sheet resistance, which ensures the effective diffusion of Li-ions and electrons.
Preparation and characterization of an AC–Fe3O4–Au hybrid for the simultaneous removal of Cd2+, Pb2+, Cr3+and Ni2+ions from aqueous solution via complexation with 2-((2,4-dichloro-benzylidene)-amino)-benzenethiol: Taguchi optimization
Authors: Nasiri Azad F. , Ghaedi M. , Dashtian K. , Jamshidi A. , Hassani G. , Montazerozohori M. , Hajati S. , Rajabi M. , Bazrafshan A. A.
Published: February 2016

Activated carbon (AC) was magnetized with Fe3O4nanoparticles (AC–Fe3O4-NPs), loaded with Au nanoparticles (AC–Fe3O4–Au-NPs), modified with DBABT and applied for the ultrasound-assisted removal of Cd2+, Pb2+, Cr3+and Ni2+ionsviacomplexation with DBABT.
Stapling of unprotected helical peptides via photo-induced intramolecular thiol–yne hydrothiolation
Authors: Tian Yuan , Li Jingxu , Zhao Hui , Zeng Xiangze , Wang Dongyuan , Liu Qisong , Niu Xiaogang , Huang Xuhui , Xu Naihan , Li Zigang
Published: February 2016

A one component intramolecular thiol–yne macrocyclization is achieved upon UV irradiation to constrain short unprotected peptides into a helical conformation, providing rapid access to stapled peptides with satisfying functional group tolerance.
Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C–H functionalization with ethyl diazoacetate
Authors: Weldy N. Mace , Schafer A. G. , Owens C. P. , Herting C. J. , Varela-Alvarez A. , Chen S. , Niemeyer Z. , Musaev D. G. , Sigman M. S. , Davies H. M. L. , Blakey S. B.
Published: February 2016

The intermolecular enantioselective C–H functionalization with acceptor-only metallocarbenes is reported using a new family of Ir(iii)-bis(imidazolinyl)phenyl catalysts.
Fabrication of dog-bone shaped Au NRcore–Pt/Pdshell trimetallic nanoparticle-decorated reduced graphene oxide nanosheets for excellent electrocatalysis
Authors: Dutta Soumen , Ray Chaiti , Sasmal Anup Kumar , Negishi Yuichi , Pal Tarasankar
Published: February 2016

Dog-bone shaped Au NRcore–Pt/Pdshell decorated reduced graphene oxide nanocomposites (GMTs) exhibit outstanding electrocatalytic activity and durability towards ethanol oxidation reaction.
Solvent-extraction crystal growth for highly efficient carbon-based mesoscopic perovskite solar cells free of hole conductors
Authors: Chan Chien-Yi , Wang Yingying , Wu Guan-Wei , Wei-Guang Diau Eric
Published: February 2016

Fabrication of carbon-based perovskite solar cells via the solvent-extraction crystal growth approach attained great device performance and intrinsic enduring stability.
Correction: Optimized immobilization of ZnO:Co electrocatalysts realizes 5% efficiency in photo-assisted splitting of water
Authors: Azarpira Anahita , Pfrommer Johannes , Olech Katarzyna , Höhn Christian , Driess Matthias , Stannowski Bernd , Schedel-Niedrig Thomas , Lublow Michael
Published: February 2016

Correction for ‘Optimized immobilization of ZnO:Co electrocatalysts realizes 5% efficiency in photo-assisted splitting of water’ by Anahita Azarpira et al., J. Mater. Chem. A, 2016, DOI: 10.1039/c5ta07329d.
Solution-processed VOxprepared using a novel synthetic method as the hole extraction layer for polymer solar cells
Authors: Xu Wenzhan , Liu Yongtao , Huang Xiaojuan , Jiang Lili , Li Qingduan , Hu Xiaowen , Huang Fei , Gong Xiong , Cao Yong
Published: February 2016

Enhanced efficiency and stability are observed from PSCs with VOxprepared using a novel synthetic method as the HEL.
Simultaneous enhancement of electrical conductivity and thermopower in Bi2S3 under hydrostatic pressure
Authors: Pandey Tribhuwan , Singh Abhishek K.
Published: February 2016

Application of hydrostatic pressure leads to manifold enhancement in thermoelectric properties of Bi2S3.
Molecular mechanisms associated with 46,XX disorders of sex development
Authors: Knarston Ingrid , Ayers Katie , Sinclair Andrew
Published: February 2016

In the female gonad, distinct signalling pathways activate ovarian differentiation while repressing the formation of testes. Human disorders of sex development (DSDs), such as 46,XX DSDs, can arise when this signalling is aberrant. Here we review the current understanding of the genetic mechanisms that control gonadal development, with particular emphasis on those that drive or inhibit ovarian differentiation. We discuss how disruption to these molecular pathways can lead to 46,XX disorders of ovarian development. Finally, we look at recently characterized novel genes and pathways that contribute and speculate how advances in technology will aid in further characterization of normal and disrupted human ovarian development.
Cardioprotection from emulsified isoflurane postconditioning is lost in rats with streptozotocin-induced diabetes due to the impairment of Brg1/Nrf2/STAT3 signalling
Authors: Wang Yan , Li Haobo , Huang Huansen , Liu Shiming , Mao Xiaowen , Wang Sheng , Wong Stanley Sau-ching , Xia Zhengyuan , Irwin Michael G.
Published: February 2016

Isoflurane postconditioning (IsoPostC) attenuates myocardial ischaemia/reperfusion injury (IRI). Signal transducer and activator of transcription-3 (STAT3) is critical in ischaemic postconditioning cardioprotection, which can be regulated by the Brahma-related gene (Brg1) and nuclear factor-erythroid 2-related factor 2 (Nrf2), although they are both reduced in diabetic hearts. We hypothesized that reduced Brg1/Nrf2 and STAT3 activation may jeopardize IsoPostC-mediated cardioprotection in diabetic hearts. In the present study, Langendorff-perfused, non-diabetic (control) and 8-week-old streptozotocin-induced Type 1 diabetic rat hearts were subjected to 30 min of global ischaemia and 120 min of reperfusion without or with IsoPostC, which was achieved by administering emulsified isoflurane (2.0%, v/v) in Krebs–Henseleit (KH) solution immediately at the onset of reperfusion for 10 min and switching to KH solution perfusion alone thereafter. Cultured H9C2 cells were exposed to normal glucose (NG, 5.5 mM) or high glucose (HG, 30 mM) and subjected to hypoxia/reoxygenation (HR) in the presence or absence of IsoPostC. Diabetic rats displayed larger post-ischaemic myocardial infarction and more severe haemodynamic dysfunction, associated with increased myocardial oxidative stress and reduced cardiac Brg1, Nrf2 and STAT3 phosphorylation/activation (p-STAT3), compared with controls. These changes were reversed/prevented by IsoPostC in control but not in diabetic rats. In H9C2 cells exposed to NG but not HG, IsoPostC significantly attenuated HR-induced cellular injury and superoxide anion production with increased Brg1, Nrf2 and p-STAT3. These beneficial effects of IsoPostC were abolished by Brg1, Nrf2 or STAT3 gene knockdown. Brg1 or Nrf2 gene knockdown abolished IsoPostC-induced STAT3 activation. N-acetylcysteine restored Brg1, Nrf2 and p-STAT3, and IsoPostC-induced protection in H9C2 cells exposed to HG and HR. In conclusion, IsoPostC confers cardioprotection through Brg1/Nrf2/STAT3 signalling, and impairment of this pathway may be responsible for the loss of IsoPostC cardioprotection in diabetes.
The role of inflammation in the pathology of preeclampsia
Authors: Harmon Ashlyn C. , Cornelius Denise C. , Amaral Lorena M. , Faulkner Jessica L. , Cunningham Mark W. , Wallace Kedra , LaMarca Babbette
Published: February 2016

Preeclampsia (PE) affects 5–7% of all pregnancies in the United States and is the leading cause of maternal and prenatal morbidity. PE is associated with hypertension after week 20 of gestation, decreased renal function and small-for-gestational-age babies. Women with PE exhibit chronic inflammation and production of autoantibodies. It is hypothesized that during PE, placental ischaemia occurs as a result of shallow trophoblast invasion which is associated with an immune imbalance where pro-inflammatory CD4+ T-cells are increased and T regulatory cells (Tregs) are decreased. This imbalance leads to chronic inflammation characterized by oxidative stress, pro-inflammatory cytokines and autoantibodies. Studies conducted in our laboratory have demonstrated the importance of this immune imbalance in causing hypertension in response to placental ischaemia in pregnant rats. These studies confirm that increased CD4+ T-cells and decreased Tregs during pregnancy leads to elevated inflammatory cytokines, endothelin (ET-1), reactive oxygen species (ROS) and agonistic autoantibodies to the angiotensin II (Ang II), type 1 receptor (AT1-AA). All of these factors taken together play an important role in increasing the blood pressure during pregnancy. Specifically, this review focuses on the decrease in Tregs, and their associated regulatory cytokine interleukin (IL)-10, which is seen in response to placental ischaemia during pregnancy. This study will also examine the effect of regulatory immune cell repopulation on the pathophysiology of PE. These studies show that restoring the balance of the immune system through increasing Tregs, either by adoptive transfer or by infusing IL-10, reduces the blood pressure and pathophysiology associated with placental ischaemia in pregnant rats.
Mitochondrial cytochrome c oxidase deficiency
Authors: Rak Malgorzata , Bénit Paule , Chrétien Dominique , Bouchereau Juliette , Schiff Manuel , El-Khoury Riyad , Tzagoloff Alexander , Rustin Pierre
Published: February 2016

As with other mitochondrial respiratory chain components, marked clinical and genetic heterogeneity is observed in patients with a cytochrome c oxidase deficiency. This constitutes a considerable diagnostic challenge and raises a number of puzzling questions. So far, pathological mutations have been reported in more than 30 genes, in both mitochondrial and nuclear DNA, affecting either structural subunits of the enzyme or proteins involved in its biogenesis. In this review, we discuss the possible causes of the discrepancy between the spectacular advances made in the identification of the molecular bases of cytochrome oxidase deficiency and the lack of any efficient treatment in diseases resulting from such deficiencies. This brings back many unsolved questions related to the frequent delay of clinical manifestation, variable course and severity, and tissue-involvement often associated with these diseases. In this context, we stress the importance of studying different models of these diseases, but also discuss the limitations encountered in most available disease models. In the future, with the possible exception of replacement therapy using genes, cells or organs, a better understanding of underlying mechanism(s) of these mitochondrial diseases is presumably required to develop efficient therapy.
Aberrantly methylated DNA regions lead to low activation of CD4+ T-cells in IgA nephropathy
Authors: Sallustio Fabio , Serino Grazia , Cox Sharon N. , Gassa Alessandra Dalla , Curci Claudia , De Palma Giuseppe , Banelli Barbara , Zaza Gianluigi , Romani Massimo , Schena Francesco P.
Published: February 2016

IgAN (IgA nephropathy) is the most common form of primary glomerulonephritis worldwide and has a strong genetic component. In this setting, DNA methylation could also be an important factor influencing this disease. We performed a genome-wide screening for DNA methylation in CD4+ T-cells from IgAN patients and found three regions aberrantly methylated influencing genes involved in the response and proliferation of CD4+ T-cells. Two hypomethylated regions codified genes involved in TCR (T-cell receptor) signalling, TRIM27 (tripartite motif-containing 27) and DUSP3 (dual-specificity phosphatase 3), and an hypermethylated region included the VTRNA2-1 (vault RNA 2-1) non-coding RNA, also known as miR-886 precursor. We showed that the aberrant methylation influences the expression of these genes in IgAN patients. Moreover, we demonstrated that the hypermethylation of the miR-886 precursor led to a decreased CD4+ T-cell proliferation following TCR stimulation and to the overexpression of TGFβ (transforming growth factor β). Finally, we found a Th1/Th2 imbalance in IgAN patients. The IL (interleukin)-2/IL-5 ratio was notably higher in IgAN patients and clearly indicated a Th1 shift. In conclusion, we identified for the first time some specific DNA regions abnormally methylated in IgAN patients that led to the reduced TCR signal strength of the CD4+ T-cells and to their anomalous response and activation that could explain the T-helper cell imbalance. The present study reveals new molecular mechanisms underlying the abnormal CD4+ T-cell response in IgAN patients.
P2Y12 receptor inhibition and LPS-induced coagulation
Authors: Essex David W. , Rao A. Koneti
Published: February 2016

Platelets play a major role in the complex interactions involved in blood coagulation via multiple mechanisms. As reported in this issue, Schoergenhofer et al. tested the hypothesis that platelet inhibition by prasugrel, a potent platelet P2Y12 ADP receptor antagonist, attenuates the effect of lipopolysaccharide (LPS) on the blood coagulation system in healthy human subjects. LPS, a bacterial product with potent pro-inflammatory and pro-thrombotic effects, plays a central role in sepsis. It activates monocytes and endothelial cells via Toll-like receptor (TLR) 4 and other TLRs to stimulate production of TF and other pro-coagulant molecules, chemokines and cytokines. Treatment with prasugrel did not decrease biomarkers of coagulaion. A better understanding of the relative roles of platelet and coagulation mechanisms in triggering the pro-thrombotic state may lead to more effective antithrombotic strategies.
Evaluation of Speech Amplification Devices in Parkinson's Disease
Authors: Andreetta Monika D. , Adams Scott G. , Dykstra Allyson D. , Jog Mandar
Published: February 2016

Purpose

The purpose of this study was to evaluate the efficacy of selected speech amplification devices in individuals with hypophonia and idiopathic Parkinson's disease (PD).

Method

This study compared the effectiveness of seven devices (ADDvox, BoomVox, ChatterVox, Oticon Amigo, SoniVox, Spokeman, and Voicette) to unamplified speech for 11 participants with PD during conversation in 65-dB SPL multitalker noise, using experience ratings collected from participant questionnaires and speech performance measures (i.e., speech-to-noise ratio [SNR], speech intensity, and intelligibility) obtained from audio recordings.

Results

Compared with unamplified speech, device use increased SNR by 1.07–4.73 dB SPL and speech intensity by 1.1–5.1 dB SPL, and it significantly increased transcribed intelligibility from 13.8% to 58.9%. In addition, the type of device used significantly affected speech performance measures (e.g., BoomVox was significantly higher than most of the other devices for SNR, speech intensity, and intelligibility). However, experience ratings did not always correspond to performance measures.

Conclusions

This study found preliminary evidence of improved speech performance with device use for individuals with PD. A tentative hierarchy is suggested for device recommendations. Future research is needed to determine which measures will predict long-term device acceptance in PD.
A simple quasi-diabatization scheme suitable for spectroscopic problems based on one-electron properties of interacting states
Authors: Cave Robert J. , Stanton John F.
Published: February 2016

We present a simple quasi-diabatization scheme applicable to spectroscopic studies that can be applied using any wavefunction for which one-electron properties and transition properties can be calculated. The method is based on rotation of a pair (or set) of adiabatic states to minimize the difference between the given transition property at a reference geometry of high symmetry (where the quasi-diabatic states and adiabatic states coincide) and points of lower symmetry where quasi-diabatic quantities are desired. Compared to other quasi-diabatization techniques, the method requires no special coding, facilitates direct comparison between quasi-diabatic quantities calculated using different types of wavefunctions, and is free of any selection of configurations in the definition of the quasi-diabatic states. On the other hand, the method appears to be sensitive to multi-state issues, unlike recent methods we have developed that use a configurational definition of quasi-diabatic states. Results are presented and compared with two other recently developed quasi-diabatization techniques.
Characterizing metastable states beyond energies and lifetimes: Dyson orbitals and transition dipole moments
Authors: Jagau Thomas-C. , Krylov Anna I.
Published: February 2016

The theoretical description of electronic resonances is extended beyond calculations of energies and lifetimes. We present the formalism for calculating Dyson orbitals and transition dipole moments within the equation-of-motion coupled-cluster singles and doubles method for electron-attached states augmented by a complex absorbing potential (CAP-EOM-EA-CCSD). The capabilities of the new methodology are illustrated by calculations of Dyson orbitals of various transient anions. We also present calculations of transition dipole moments between transient and stable anionic states as well as between different transient states. Dyson orbitals characterize the differences between the initial neutral and final electron-attached states without invoking the mean-field approximation. By extending the molecular-orbital description to correlated many-electron wave functions, they deliver qualitative insights into the character of resonance states. Dyson orbitals and transition moments are also needed for calculating experimental observables such as spectra and cross sections. Physically meaningful results for those quantities are obtained only in the framework of non-Hermitian quantum mechanics, e.g., in the presence of a complex absorbing potential (CAP), when studying resonances. We investigate the dependence of Dyson orbitals and transition moments on the CAP strength and illustrate how Dyson orbitals help understand the properties of metastable species and how they are affected by replacing the usual scalar product by the so-called c-product.
Isotope effects of ground and lowest lying vibrational states of H3−xDxO2− complexes
Authors: Ansari Narjes , Meyer Hans-Dieter
Published: February 2016

Isotope effects of the H3O2− anion are investigated. For this, the 24 lowest excited vibrational states of the H3−xDxO2− complexes, with x = 0-3, are computed using two different Hamiltonians, namely, a 7D reduced-dimensionality one with a numerical representation of the kinetic energy operator (KEO) and a 9D full-dimensionality Hamiltonian with an exact analytic KEO. The computations are carried out with the multiconfiguration time-dependent Hartree method. The obtained results show that bridge and terminal H–D exchange cause a variation in energy with or without a rearrangement of states. A clear rearrangement of fundamental modes is observed in bridge H–D exchange of the H3O2− complex, where the frequency of bridge hydrogen stretching (z) is strongly lowered by substitution. The isotope effects show that rotation (ϕ), rocking (u1 + u2), wagging (u1 − u2), and O–O stretch (R) modes are sensitive to terminal H–D exchange, while the bridge-atom bending (x,y) and stretch (z) modes are sensitive to bridge H–D exchange. An influence coefficient, which measures the influence of an excitation of one mode on the various 1D reduced densities, is defined and analyzed in detail. It is shown that the D3O2− complex is more strongly correlated or coupled than the other isotopologues.
Influence of the fluid density on the statistics of power fluctuations in von Kármán swirling flows
Authors: Opazo A. , Sáez A. , Bustamante G. , Labbé R.
Published: February 2016

Here, we report experimental results on the fluctuations of injected power in confined turbulence. Specifically, we have studied a von Kármán swirling flow with constant external torque applied to the stirrers. Two experiments were performed at nearly equal Reynolds numbers, in geometrically similar experimental setups. Air was utilized in one of them and water in the other. With air, it was found that the probability density function of power fluctuations is strongly asymmetric, while with water, it is nearly Gaussian. This suggests that the outcome of a big change of the fluid density in the flow-stirrer interaction is not simply a change in the amplitude of stirrers’ response. In the case of water, with a density roughly 830 times greater than air density, the coupling between the flow and the stirrers is stronger, so that they follow more closely the fluctuations of the average rotation of the nearby flow. When the fluid is air, the coupling is much weaker. The result is not just a smaller response of the stirrers to the torque exerted by the flow; the PDF of the injected power becomes strongly asymmetric and its spectrum acquires a broad region that scales as f−2. Thus, the asymmetry of the probability density functions of torque or angular speed could be related to the inability of the stirrers to respond to flow stresses. This happens, for instance, when the torque exerted by the flow is weak, due to small fluid density, or when the stirrers’ moment of inertia is large. Moreover, a correlation analysis reveals that the features of the energy transfer dynamics with water are qualitatively and quantitatively different to what is observed with air as working fluid.
Verification of gyrokinetic particle simulation of current-driven instability in fusion plasmas. III. Collisionless tearing mode
Authors: Liu Dongjian , Bao Jian , Han Tao , Wang Jiaqi , Lin Zhihong
Published: February 2016

A finite-mass electron fluid model for low frequency electromagnetic fluctuations, particularly the collisionless tearing mode, has been implemented in the gyrokinetic toroidal code. Using this fluid model, linear properties of the collisionless tearing mode have been verified. Simulations verify that the linear growth rate of the single collisionless tearing mode is proportional to De2, where De is the electron skin depth. On the other hand, the growth rate of a double tearing mode is proportional to De in the parameter regime of fusion plasmas.
The mechanism of the area negative thermal expansion in KBe2BO3F2 family crystals: A first-principles study
Authors: Jiang Xingxing , Molokeev Maxim S. , Li Wei , Wu Shaofan , Lin Zheshuai , Wu Yicheng , Chen Chuangtian
Published: February 2016

A very recent study demonstrated that the KBe2BO3F2 (KBBF) family of crystals, including KBBF, RbBe2BO3F2, and CsBe2BO3F2, are the only known borates exhibiting a rarely occurring isotropic area negative thermal expansion (NTE) behavior, over a very large temperature range. In the present work, the NTE mechanism in these crystals is comprehensively investigated using the first-principles calculations. It is revealed that the area NTE behavior mainly originates from the concerted distortion of [BeO3F] tetrahedra in the two-dimensional [Be2BO3F2]∞ framework with respect to temperature, while the [BO3] triangles remain almost rigid. Moreover, the different magnitude of NTE effect in the three crystals is attributed to the interaction difference between the alkali metal atoms (K, Rb, or Cs) and the [Be2BO3F2]∞ layer.
Thermodynamically admissible boundary conditions for the regularized 13 moment equations
Authors: Rana Anirudh Singh , Struchtrup Henning
Published: February 2016

A phenomenological approach to the boundary conditions for linearized R13 equations is derived using the second law of thermodynamics. The phenomenological coefficients appearing in the boundary conditions are calculated by comparing the slip, jump, and thermal creep coefficients with linearized Boltzmann solutions for Maxwell’s accommodation model for different values of the accommodation coefficient. For this, the linearized R13 equations are solved for viscous slip, thermal creep, and temperature jump problems and the results are compared to the solutions of the linearized Boltzmann equation. The influence of different collision models (hard-sphere, Bhatnagar–Gross–Krook, and Maxwell molecules) and accommodation coefficients on the phenomenological coefficients is studied.
Few-layer SnSe2 transistors with high on/off ratios
Authors: Pei Tengfei , Bao Lihong , Wang Guocai , Ma Ruisong , Yang Haifang , Li Junjie , Gu Changzhi , Pantelides Sokrates , Du Shixuan , Gao Hong-jun
Published: February 2016

We report few-layer SnSe2 field effect transistors (FETs) with high current on/off ratios. By trying different gate configurations, 300 nm SiO2 and 70 nm HfO2 as back gate only and 70 nm HfO2 as back gate combined with a top capping layer of polymer electrolyte, few-layer SnSe2 FET with a current on/off ratio of 104 can be obtained. This provides a reliable solution for electrically modulating quasi-two-dimensional materials with high electron density (over 1013 cm−2) for field-effect transistor applications.
Anisotropy, band-to-band transitions, phonon modes, and oxidation properties of cobalt-oxide core-shell slanted columnar thin films
Authors: Mock Alyssa , Korlacki Rafał , Briley Chad , Sekora Derek , Hofmann Tino , Wilson Peter , Sinitskii Alexander , Schubert Eva , Schubert Mathias
Published: February 2016

Highly ordered and spatially coherent cobalt slanted columnar thin films (SCTFs) were deposited by glancing angle deposition onto silicon substrates, and subsequently oxidized by annealing at 475 °C. Scanning electron microscopy, Raman scattering, generalized ellipsometry, and density functional theory investigations reveal shape-invariant transformation of the slanted nanocolumns from metallic to transparent metal-oxide core-shell structures with properties characteristic of spinel cobalt oxide. We find passivation of Co-SCTFs yielding Co-Al2O3 core-shell structures produced by conformal deposition of a few nanometers of alumina using atomic layer deposition fully prevents cobalt oxidation in ambient and from annealing up to 475 °C.
Widely tunable alloy composition and crystal structure in catalyst-free InGaAs nanowire arrays grown by selective area molecular beam epitaxy
Authors: Treu J. , Speckbacher M. , Saller K. , Morkötter S. , Döblinger M. , Xu X. , Riedl H. , Abstreiter G. , Finley J. J. , Koblmüller G.
Published: February 2016

We delineate the optimized growth parameter space for high-uniformity catalyst-free InGaAs nanowire (NW) arrays on Si over nearly the entire alloy compositional range using selective area molecular beam epitaxy. Under the required high group-V fluxes and V/III ratios, the respective growth windows shift to higher growth temperatures as the Ga-content x(Ga) is tuned from In-rich to Ga-rich InGaAs NWs. Using correlated x-ray diffraction, transmission electron microscopy, and micro-photoluminescence spectroscopy, we identify structural defects to govern luminescence linewidths in In-rich (x(Ga) < 0.4) and Ga-rich (x(Ga) > 0.6) NWs, whereas limitations at intermediate Ga-content (0.4 < x(Ga) < 0.6) are mainly due to compositional inhomogeneities. Most remarkably, the catalyst-free InGaAs NWs exhibit a characteristic transition in crystal structure from wurtzite to zincblende (ZB) dominated phase near x(Ga) ∼ 0.4 that is further reflected in a cross-over from blue-shifted to red-shifted photoluminescence emission relative to the band edge emission of the bulk ZB InGaAs phase.
A magnetoplasmonic electrical-to-optical clock multiplier
Authors: Firby C. J. , Elezzabi A. Y.
Published: February 2016

We propose and investigate an electrical-to-optical clock multiplier, based on a bismuth-substituted yttrium iron garnet (Bi:YIG) magnetoplasmonic Mach-Zehnder interferometer (MZI). Transient magnetic fields induce a precession of the magnetization vector of the Bi:YIG, which in turn modulates the nonreciprocal phase shift in the MZI arms, and hence the intensity at the output port. We show that the device is capable of modulation depth of 16.26 dB and has a tunable output frequency between 279.9 MHz and 5.6 GHz. Correspondingly, the input electrical modulation frequency can be multiplied by factors of up to 2.1×103 in the optical signal. Such a device is envisioned as a critical component in the development of hybrid electrical-optical circuitry.
Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information
Authors: Rudzinski Joseph F. , Kremer Kurt , Bereau Tristan
Published: February 2016

Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between simulated and reference (e.g., from experiments or higher-level simulations) observables. To bound the microscopic information generated by computer simulations within reference measurements, we propose a method that reweights the microscopic transitions of the system to improve consistency with a set of coarse kinetic observables. The method employs the well-developed Markov state modeling framework to efficiently link microscopic dynamics with long-time scale constraints, thereby consistently addressing a wide range of time scales. To emphasize the robustness of the method, we consider two distinct coarse-grained models with significant kinetic inconsistencies. When applied to the simulated conformational dynamics of small peptides, the reweighting procedure systematically improves the time scale separation of the slowest processes. Additionally, constraining the forward and backward rates between metastable states leads to slight improvement of their relative stabilities and, thus, refined equilibrium properties of the resulting model. Finally, we find that difficulties in simultaneously describing both the simulated data and the provided constraints can help identify specific limitations of the underlying simulation approach.
Magnetic stability under magnetic cycling of MgO-based magnetic tunneling junctions with an exchange-biased synthetic antiferromagnetic pinned layer
Authors: Hao Qiang , Reid Cameron , Xiao Gang , Chan Hon Ming
Published: February 2016

We investigate the magnetic stability and endurance of MgO-based magnetic tunnel junctions (MTJs) with an exchange-biased synthetic antiferromagnetic (SAF) pinned layer. When a uniaxially cycling switching field is applied along the easy axis of the free magnetic layer, the magnetoresistance varies only by 1.7% logarithmically with the number of cycles, while no such change appears in the case of a rotating field. This observation is consistent with the effect of the formation and motion of domain walls in the free layer, which create significant stray fields within the pinned hard layer. Unlike in previous studies, the decay we observed only occurs during the first few starting cycles (<20), at which point there is no further variance in all performance parameters up to 107 cycles. Exchange-biased SAF structure is ideally suited for solid-state magnetic sensors and magnetic memory devices.
Small terrestrial mammals on Doongan Station, in the Northern Kimberley bioregion, Western Australia
Authors: Olds Liberty G. M. , Myers Cecilia , Reside Jim , Madani George , Dudley Alexander , Potter Sally , Martin Raz , Boona Ernie , Waina Tamara , Taggart David A.
Published: February 2016

There are significant gaps in knowledge of the small terrestrial mammals (<2 kg) in the Northern Kimberley bioregion (NOK). There have been no known extinctions of small mammals in the NOK, despite broad-scale declines being observed across much of northern Australia. The few studies in the NOK have focussed largely on three major national parks and NOK islands and thus may not be fully representative of the region. Mammal surveys were undertaken on Doongan Station, a pastoral property adjacent to these national parks to determine the presence/absence of small mammals. Five species were found to be common (Pseudomys nanus, P. delicatulus, Rattus tunneyi, Zyzomys argurus and Sminthopsis virginiae), two species were detected less frequently (Leggadina lakedownensis and Isoodon macrourus), and four species were scarcely detected (Melomys burtoni, Hydromys chrysogaster, Planigale maculata and Dasyurus hallucatus). Two species were detected only opportunistically outside of the survey effort (Petropseudes dahli and Petaurus breviceps). The trap success was consistently low, with levels in most years being below those regarded as critically low elsewhere in northern Australia.
Research priorities for the northern quoll (Dasyurus hallucatus) in the Pilbara region of Western Australia
Authors: Cramer Viki A. , Dunlop Judy , Davis Rob , Ellis Ryan , Barnett Belinda , Cook Annette , Morris Keith , van Leeuwen Stephen
Published: February 2016

The Pilbara population of the northern quoll (Dasyurus hallucatus) has been seldom studied, and the impacts of threats such as altered fire regimes, total grazing pressure, predation and mining and infrastructure development are not well understood. While the Pilbara was once thought likely to provide refuge for northern quolls from the poisonous cane toad (Rhinella marina), recent modelling suggests that cane toads will invade the region. The environmental approvals process for mining development in the Pilbara has generated considerable offset funds that are to be directed towards research on the northern quoll. In an effort to identify future research priorities for this species in the Pilbara through a collaborative process, the Western Australian Department of Parks and Wildlife hosted a workshop attended by scientists, environmental consultants, mining proponents and state and federal regulators. Participants at the workshop identified five key areas for future research effort: (1) develop appropriate and standardised survey and monitoring methods; (2) define areas of critical habitat and better understand how disturbance affects habitat quality; (3) improve our understanding of population dynamics; (4) better understand the key threats to the northern quoll and the interactions between these threats in the Pilbara; and (5) determine whether the northern quoll will colonise restored areas or artificial habitat. We provide the expected timelines and current allocation of resources to these research priorities over the next 10 years. We reflect on the lessons learnt from the workshop process and consider ways to improve the outcomes of such collaborative exercises.