bluuebunny/crossref_metadata_2025 huggingface dataset:
NEDDylation promotes nuclear protein aggregation and protects the Ubiquitin Proteasome System upon proteotoxic stress
Authors: Maghames Chantal M. , Lobato-Gil Sofia , Perrin Aurelien , Trauchessec Helene , Rodriguez Manuel S. , Urbach Serge , Marin Philippe , Xirodimas Dimitris P.
Published: October 2018

Spatial management of stress-induced protein aggregation is an integral part of the proteostasis network. Protein modification by the ubiquitin-like molecule NEDD8 increases upon proteotoxic stress and it is characterised by the formation of hybrid NEDD8/ubiquitin conjugates. However, the biological significance of this response is unclear. Combination of quantitative proteomics with biological analysis shows that, during proteotoxic stress, NEDDylation promotes nuclear protein aggregation, including ribosomal proteins as a major group. This correlates with protection of the nuclear Ubiquitin Proteasome System from stress-induced dysfunction. Correspondingly, we show that NEDD8 compromises ubiquitination and prevents targeting and processing of substrates by the proteasome. Moreover, we identify HUWE1 as a key E3-ligase that is specifically required for NEDDylation during proteotoxic stress. The study reveals a specific role for NEDD8 in nuclear protein aggregation upon stress and is consistent with the concept that transient aggregate formation is part of a defence mechanism against proteotoxicity.
Identifying an efficient, thermally robust inorganic phosphor host via machine learning
Authors: Zhuo Ya , Mansouri Tehrani Aria , Oliynyk Anton O. , Duke Anna C. , Brgoch Jakoah
Published: October 2018

Rare-earth substituted inorganic phosphors are critical for solid state lighting. New phosphors are traditionally identified through chemical intuition or trial and error synthesis, inhibiting the discovery of potential high-performance materials. Here, we merge a support vector machine regression model to predict a phosphor host crystal structure’s Debye temperature, which is a proxy for photoluminescent quantum yield, with high-throughput density functional theory calculations to evaluate the band gap. This platform allows the identification of phosphors that may have otherwise been overlooked. Among the compounds with the highest Debye temperature and largest band gap, NaBaB9O15shows outstanding potential. Following its synthesis and structural characterization, the structural rigidity is confirmed to stem from a unique corner sharing [B3O7]5–polyanionic backbone. Substituting this material with Eu2+yields UV excitation bands and a narrow violet emission at 416 nm with a full-width at half-maximum of 34.5 nm. More importantly, NaBaB9O15:Eu2+possesses a quantum yield of 95% and excellent thermal stability.
Inhibition of glucose metabolism selectively targets autoreactive follicular helper T cells
Authors: Choi Seung-Chul , Titov Anton A. , Abboud Georges , Seay Howard R. , Brusko Todd M. , Roopenian Derry C. , Salek-Ardakani Shahram , Morel Laurence
Published: October 2018

Follicular helper T (TFH) cells are expanded in systemic lupus erythematosus, where they are required to produce high affinity autoantibodies. Eliminating TFHcells would, however compromise the production of protective antibodies against viral and bacterial pathogens. Here we show that inhibiting glucose metabolism results in a drastic reduction of the frequency and number of TFHcells in lupus-prone mice. However, this inhibition has little effect on the production of T-cell-dependent antibodies following immunization with an exogenous antigen or on the frequency of virus-specific TFHcells induced by infection with influenza. In contrast, glutaminolysis inhibition reduces both immunization-induced and autoimmune TFHcells and humoral responses. Solute transporter gene signature suggests different glucose and amino acid fluxes between autoimmune TFHcells and exogenous antigen-specific TFHcells. Thus, blocking glucose metabolism may provide an effective therapeutic approach to treat systemic autoimmunity by eliminating autoreactive TFHcells while preserving protective immunity against pathogens.
Large increase in global storm runoff extremes driven by climate and anthropogenic changes
Authors: Yin Jiabo , Gentine Pierre , Zhou Sha , Sullivan Sylvia C. , Wang Ren , Zhang Yao , Guo Shenglian
Published: October 2018

Weather extremes have widespread harmful impacts on ecosystems and human communities with more deaths and economic losses from flash floods than any other severe weather-related hazards. Flash floods attributed to storm runoff extremes are projected to become more frequent and damaging globally due to a warming climate and anthropogenic changes, but previous studies have not examined the response of these storm runoff extremes to naturally and anthropogenically driven changes in surface temperature and atmospheric moisture content. Here we show that storm runoff extremes increase in most regions at rates higher than suggested by Clausius-Clapeyron scaling, which are systematically close to or exceed those of precipitation extremes over most regions of the globe, accompanied by large spatial and decadal variability. These results suggest that current projected response of storm runoff extremes to climate and anthropogenic changes may be underestimated, posing large threats for ecosystem and community resilience under future warming conditions.
APOE ε2 is associated with increased tau pathology in primary tauopathy
Authors: Zhao Na , Liu Chia-Chen , Van Ingelgom Alexandra J. , Linares Cynthia , Kurti Aishe , Knight Joshua A. , Heckman Michael G. , Diehl Nancy N. , Shinohara Mitsuru , Martens Yuka A. , Attrebi Olivia N. , Petrucelli Leonard , Fryer John D. , Wszolek Zbigniew K. , Graff-Radford Neill R. , Caselli Richard J. , Sanchez-Contreras Monica Y. , Rademakers Rosa , Murray Melissa E. , Koga Shunsuke , Dickson Dennis W. , Ross Owen A. , Bu Guojun
Published: October 2018

Apolipoprotein E (APOE) ε4 allele is the strongest genetic risk factor for late-onset Alzheimer’s disease mainly by modulating amyloid-β pathology. APOE ε4 is also shown to exacerbate neurodegeneration and neuroinflammation in a tau transgenic mouse model. To further evaluate the association of APOE genotype with the presence and severity of tau pathology, we express human tau via an adeno-associated virus gene delivery approach in human APOE targeted replacement mice. We find increased hyperphosphorylated tau species, tau aggregates, and behavioral abnormalities in mice expressing APOE ε2/ε2. We also show that in humans, the APOE ε2 allele is associated with increased tau pathology in the brains of progressive supranuclear palsy (PSP) cases. Finally, we identify an association between the APOE ε2/ε2 genotype and risk of tauopathies using two series of pathologically-confirmed cases of PSP and corticobasal degeneration. Our data together suggest APOE ε2 status may influence the risk and progression of tauopathy.
Schedule and magnitude of reproductive investment under immune trade-offs explains sex differences in immunity
Authors: Metcalf C. Jessica E. , Graham Andrea L.
Published: October 2018

Sex differences in immunity are found in many species. Known immune mechanisms in birds and mammals suggest that pathogen detection may be amplified in females, whereas in males, pathogen killing is amplified. We show that these immunological profiles emerge as distinct peaks on a fitness landscape defined by sensitivity-specificity and infection-immunopathology immune tradeoffs. What selection pressures might drive males and females towards separate peaks? Surprisingly, modeling immune trade-offs alone results in a pattern of sex differences that is the reverse of what is observed. By integrating these trade-offs into a life-history framework, where the schedule and magnitude of reproductive investment differs between the sexes, we find that increased age-specific infection and mortality risks during parental investment can push females towards the peak that aligns with empirical observations. Overall, our model suggests enhanced pathogen detection (in females) versus enhanced pathogen killing (in males) is best explained if shared immune tradeoffs interact with sex-specific reproductive schedules and risks. We suggest ways to test this framework empirically.
Heterozygous deletion of chromosome 17p renders prostate cancer vulnerable to inhibition of RNA polymerase II
Authors: Li Yujing , Liu Yunhua , Xu Hanchen , Jiang Guanglong , Van der Jeught Kevin , Fang Yuanzhang , Zhou Zhuolong , Zhang Lu , Frieden Michael , Wang Lifei , Luo Zhenhua , Radovich Milan , Schneider Bryan P. , Deng Yibin , Liu Yunlong , Huang Kun , He Bin , Wang Jin , He Xiaoming , Zhang Xinna , Ji Guang , Lu Xiongbin
Published: October 2018

Heterozygous deletion of chromosome 17p (17p) is one of the most frequent genomic events in human cancers. Beyond the tumor suppressor TP53, the POLR2A gene encoding the catalytic subunit of RNA polymerase II (RNAP2) is also included in a ~20-megabase deletion region of 17p in 63% of metastatic castration-resistant prostate cancer (CRPC). Using a focused CRISPR-Cas9 screen, we discovered that heterozygous loss of 17p confers a selective dependence of CRPC cells on the ubiquitin E3 ligase Ring-Box 1 (RBX1). RBX1 activates POLR2A by the K63-linked ubiquitination and thus elevates the RNAP2-mediated mRNA synthesis. Combined inhibition of RNAP2 and RBX1 profoundly suppress the growth of CRPC in a synergistic manner, which potentiates the therapeutic effectivity of the RNAP2 inhibitor, α-amanitin-based antibody drug conjugate (ADC). Given the limited therapeutic options for CRPC, our findings identify RBX1 as a potentially therapeutic target for treating human CRPC harboring heterozygous deletion of 17p.
Defluorosilylation of fluoroarenes and fluoroalkanes
Authors: Cui Benqiang , Jia Shichong , Tokunaga Etsuko , Shibata Norio
Published: October 2018

Direct activation of carbon–fluorine bonds (C–F) to introduce the silyl or boryl groups and generate valuable carbon–silicon (C–Si) or carbon–boron (C–B) bonds is important in the development of synthetically useful reactions, owing to the unique opportunities for further derivatization to achieve more complex molecules. Despite considerable progress of C–F bond activation to construct carbon–carbon (C–C) and carbon–heteroatom (C–X) bond formation, the defluorosilylation via C–F cleavage has been rarely demonstrated. Here, we report an ipso-silylation of aryl fluorides via cleavage of unactivated C–F bonds by a Ni catalyst under mild conditions and without the addition of any external ligand. Alkyl fluorides are also directly converted into the corresponding alkyl silanes under similar conditions, even in the absence of the Ni catalyst. Applications of this protocol in late-stage defluorosilylation of potentially bioactive pharmaceuticals and in further derivatizations are also carried out.
Monoubiquitination of ASXLs controls the deubiquitinase activity of the tumor suppressor BAP1
Authors: Daou Salima , Barbour Haithem , Ahmed Oumaima , Masclef Louis , Baril Caroline , Sen Nkwe Nadine , Tchelougou Daméhan , Uriarte Maxime , Bonneil Eric , Ceccarelli Derek , Mashtalir Nazar , Tanji Mika , Masson Jean-Yves , Thibault Pierre , Sicheri Frank , Yang Haining , Carbone Michele , Therrien Marc , Affar El Bachir
Published: October 2018

The tumor suppressor and deubiquitinase (DUB) BAP1 and its Drosophila ortholog Calypso assemble DUB complexes with the transcription regulators Additional sex combs-like (ASXL1, ASXL2, ASXL3) and Asx respectively. ASXLs and Asx use their DEUBiquitinase ADaptor (DEUBAD) domain to stimulate BAP1/Calypso DUB activity. Here we report that monoubiquitination of the DEUBAD is a general feature of ASXLs and Asx. BAP1 promotes DEUBAD monoubiquitination resulting in an increased stability of ASXL2, which in turn stimulates BAP1 DUB activity. ASXL2 monoubiquitination is directly catalyzed by UBE2E family of Ubiquitin-conjugating enzymes and regulates mammalian cell proliferation. Remarkably, Calypso also regulates Asx monoubiquitination and transgenic flies expressing monoubiquitination-defective Asx mutant exhibit developmental defects. Finally, the protein levels of ASXL2, BAP1 and UBE2E enzymes are highly correlated in mesothelioma tumors suggesting the importance of this signaling axis for tumor suppression. We propose that monoubiquitination orchestrates a molecular symbiosis relationship between ASXLs and BAP1.
Probing flow-induced nanostructure of complex fluids in arbitrary 2D flows using a fluidic four-roll mill (FFoRM)
Authors: Corona Patrick T. , Ruocco Nino , Weigandt Kathleen M. , Leal L. Gary , Helgeson Matthew E.
Published: October 2018

Engineering flow processes to direct the microscopic structure of soft materials represents a growing area of materials research. In situ small-angle neutron scattering under flow (flow-SANS) is an attractive probe of fluid microstructure under simulated processing conditions, but current capabilities require many different sample environments to fully interrogate the deformations a fluid experiences in a realistic processing flow. Inspired by recent advances in microfluidics, we present a fluidic four-roll mill (FFoRM) capable of producing tunable 2D flow fields for in situ SANS measurements, that is intended to allow characterization of complex fluid nanostructure under arbitrary complex flows within a single sample environment. Computational fluid dynamics simulations are used to design a FFoRM that produces spatially homogeneous and sufficiently strong deformation fields. Particle tracking velocimetry experiments are then used to characterize the flows produced in the FFoRM for several classes of non-Newtonian fluids. Finally, a putative FFoRM-SANS workflow is demonstrated and validated through the characterization of flow-induced orientation in a semi-dilute cellulose nanocrystal dispersion under a range of 2D deformations. These novel experiments confirm that, for steady state straining flows at moderate strain rates, the nanocrystals orient along the principal strain-rate axis, in agreement with theories for rigid, rod-like Brownian particles in a homogeneous flow.
Hydrodynamic Clustering of Human Sperm in Viscoelastic Fluids
Authors: Ishimoto Kenta , Gaffney Eamonn A.
Published: October 2018

We have numerically investigated sperm clustering behaviours, modelling cells as superpositions of regularised flow singularities, coarse-grained from experimentally obtained digital microscopy of human sperm, both in watery medium and a highly viscous–weakly elastic, methylcellulose medium. We find that the cell yaw and cell pulling dynamics inhibit clustering in low viscosity media. In contrast clustering is readily visible in simulations modelling sperm within a methylcellulose medium, in line with previous observations that bovine sperm clustering is much more prominent in a rheological polyacrylamide medium. Furthermore, the fine-scale details of sperm flagellar movement substantially impact large-scale collective behaviours, further motivating the need for the digital microscopy and characterization of sperm to understand their dynamics.
A novel mechanobiological model can predict how physiologically relevant dynamic loading causes proteoglycan loss in mechanically injured articular cartilage
Authors: Orozco Gustavo A. , Tanska Petri , Florea Cristina , Grodzinsky Alan J. , Korhonen Rami K.
Published: October 2018

Cartilage provides low-friction properties and plays an essential role in diarthrodial joints. A hydrated ground substance composed mainly of proteoglycans (PGs) and a fibrillar collagen network are the main constituents of cartilage. Unfortunately, traumatic joint loading can destroy this complex structure and produce lesions in tissue, leading later to changes in tissue composition and, ultimately, to post-traumatic osteoarthritis (PTOA). Consequently, the fixed charge density (FCD) of PGs may decrease near the lesion. However, the underlying mechanisms leading to these tissue changes are unknown. Here, knee cartilage disks from bovine calves were injuriously compressed, followed by a physiologically relevant dynamic compression for twelve days. FCD content at different follow-up time points was assessed using digital densitometry. A novel cartilage degeneration model was developed by implementing deviatoric and maximum shear strain, as well as fluid velocity controlled algorithms to simulate the FCD loss as a function of time. Predicted loss of FCD was quite uniform around the cartilage lesions when the degeneration algorithm was driven by the fluid velocity, while the deviatoric and shear strain driven mechanisms exhibited slightly discontinuous FCD loss around cracks. Our degeneration algorithm predictions fitted well with the FCD content measured from the experiments. The developed model could subsequently be applied for prediction of FCD depletion around different cartilage lesions and for suggesting optimal rehabilitation protocols.
Functions of CsGPA1 on the hypocotyl elongation and root growth of cucumbers
Authors: Yan Yan , Zhang Wenna , Li Yansu , He Chaoxing , Gao Lihong , Yu Xianchang
Published: October 2018

G proteins regulate shoot, root, and epidermis development, as well as biotic stress tolerance in plants; however, most studies have examined model plants and less attention has been paid to the function of G proteins in horticultural plants. Here, we identified a G protein, CsGPA1, from cucumber and studied its function in seedling development of cucumbers. CsGPA1 is a peptide of 392 amino acids with a predicted molecular mass of 44.6 kDa. Spatiotemporal expression analysis found that endogenous CsGPA1 was highly expressed in roots and young leaves. Immunohistochemical assay revealed that functional CsGPA1 was present in the plasma membranes of the epidermis and cortex, and in the cytosol of the endodermis, parenchyma, and vasculature of root meristematic cells. In comparison with wild-type seedlings, CsGPA1-overexpressing transgenic lines exhibited enhanced seed germination and earlier seedling development including hypocotyl elongation and root growth. In contrast, RNAi silencing of the CsGPA1 gene inhibited seedling growth and development. Further study showed that CsGPA1 controled hypocotyl elongation and root growth via promoting cell size and the meristem of hypocotyl and root tip cells of cucumber plants. Our study expands the roles of G proteins in plants and helps to elucidate the mechanism by which cucumber regulates early seedling development.
Changes of Arterial Pulse Waveform Characteristics with Gestational Age during Normal Pregnancy
Authors: Li Kunyan , Zhang Song , Yang Lin , Jiang Hongqing , Chi Zhenyu , Wang Anran , Yang Yimin , Li Xuwen , Hao Dongmei , Zhang Lei , Zheng Dingchang
Published: October 2018

Arterial pulse waveform analysis has been widely used to reflect physiological changes in the cardiovascular system. This study aimed to comprehensively investigate the changes of waveform characteristics of both photoplethysmographic (PPG) and radial pulses with gestational age during normal pregnancy. PPG and radial pulses were simultaneously recorded from 130 healthy pregnant women at seven gestational time points. After normalizing the arterial pulse waveforms, the abscissa of notch point, the total pulse area and the reflection index were extracted and compared between different measurement points and between the PPG and radial pulses using post-hoc multiple comparisons with Bonferrioni correction. The results showed that the effect of gestational age on all the three waveform characteristics was significant (all p < 0.001) after adjusting for maternal age, heart rate and blood pressures. All the three waveform characteristics demonstrated similar changing trends with gestational age, and they were all significantly different between the measurements from gestational week 12–15 and the others (all p < 0.05, except for the PPG total pulse area between the first and second measurement points). In conclusion, this study has comprehensively quantified similar changes of both PPG and radial pulse waveform characteristics with gestational age.
Resveratrol Ameliorates Mitophagy Disturbance and Improves Cardiac Pathophysiology of Dystrophin-deficient mdx Mice
Authors: Kuno Atsushi , Hosoda Ryusuke , Sebori Rio , Hayashi Takashi , Sakuragi Hiromi , Tanabe Mika , Horio Yoshiyuki
Published: October 2018

Autophagy activation improves the phenotype in mdx mice, a Duchenne muscular dystrophy (DMD) model, although the underlying mechanisms are obscure. We previously found that resveratrol, a strong inducer of autophagy, ameliorates the cardiac pathology of mdx mice. Autophagy could eliminate damaged mitochondria, a major source of intracellular reactive oxygen species (ROS), although there is no evidence for mitochondriopathy in dystrophic cardiomyopathy. To elucidate resveratrol’s function, we investigated the deletion of mitochondrial DNA (mtDNA), autophagy of damaged mitochondria (mitophagy), and ROS accumulation in the mdx mouse heart. Low levels of normal mtDNA and abnormal accumulations of mitochondria-containing autophagosomes were found in the mdx mouse heart. Administering resveratrol to mdx mice for 56 weeks ameliorated the cardiomyopathy, with significant reductions in the amount of mtDNA deletion, the number of mitochondria-containing autophagosomes, and the ROS levels. Resveratrol induced nuclear FoxO3a accumulation and the expression of autophagy-related genes, which are targets of FoxOs. The most effective dose in mdx mice was 0.4 g resveratrol/kg food. In conclusion, resveratrol improved cardiomyopathy by promoting mitophagy in the mdx mouse heart. We propose that acquired mitochondriopathy worsens the pathology of DMD and is a potential therapeutic target for the cardiomyopathy in DMD patients.
Effect of Pufa Substrates on Fatty Acid Profile of Bifidobacterium breve Ncimb 702258 and CLA/CLNA Production in Commercial Semi-Skimmed Milk
Authors: Fontes Ana Luiza , Pimentel Lígia , Rodríguez-Alcalá Luis Miguel , Gomes Ana
Published: October 2018

Current research on lipids is highlighting their relevant role in metabolic/signaling pathways. Conjugated fatty acids (CFA), namely isomers of linoleic and linolenic acid (i.e. CLA and CLNA, respectively) can positively modulate inflammation processes and energy metabolism, promoting anti-carcinogenic and antioxidant effects, improved lipid profiles and insulin resistance, among others. Bioactive doses have been indicated to be above 1 g/d, yet these cannot be achieved through a moderate intake (i.e. 1–2 servings) of natural sources, and certain CLA-containing products have limited commercial availability. Such handicaps have fueled research interest in finding alternative fortification strategies. In recent years, screening of dairy products for CFA-producing bacteria has attracted much attention and has led to the identification of some promising strains, including Bifidobacterium breve NCIMB 702258. This strain has shown interesting producing capabilities in model systems as well as positive modulation of lipid metabolism activities in animal studies. Accordingly, the aim of this research work was to assay B. breve NCIMB 702258 in semi-skimmed milk to produce a probiotic fermented dairy product enriched in bioactive CLA and CLNA. The effect of substrates (LA, α-LNA and γ-LNA) on growth performance and membrane fatty acids profile was also studied, as these potential modifications have been associated to stress response. When tested in cys-MRS culture medium, LA, α-LNA and γ-LNA impaired the fatty acid synthesis by B. breve since membrane concentrations for stearic and oleic acids decreased. Variations in the C18:1 c11 and lactobacillic acid concentrations, may suggest that these substrates are also affecting the membrane fluidity. Bifidobacterium breve CFA production capacity was first assessed in cys-MRS with LA, α-LNA, γ-LNA or all substrates together at 0.5 mg/mL each. This strain did not produce CFA from γ-LNA, but converted 31.12% of LA and 68.20% of α-LNA into CLA and CLNA, respectively, after incubation for 24 h at 37 °C. In a second phase, B. breve was inoculated in a commercial semi-skimmed milk with LA, α-LNA or both at 0.5 mg/mL each. Bifidobacterium breve revealed a limited capacity to synthesize CLA isomers, but was able to produce 0.062–0.115 mg/mL CLNA after 24 h at 37 °C. However, organoleptic problems were reported which need to be addressed in future studies. These results show that although CFA were produced at too low concentrations to be able to achieve solely the bioactive dose in one daily portion size, fermented dairy products are a suitable vector to deliver B. breve NCIMB 702258.
Predicting the need for a reduced drug dose, at first prescription
Authors: Coulet Adrien , Shah Nigam H. , Wack Maxime , Chawki Mohammad B. , Jay Nicolas , Dumontier Michel
Published: October 2018

Prescribing the right drug with the right dose is a central tenet of precision medicine. We examined the use of patients’ prior Electronic Health Records to predict a reduction in drug dosage. We focus on drugs that interact with the P450 enzyme family, because their dosage is known to be sensitive and variable. We extracted diagnostic codes, conditions reported in clinical notes, and laboratory orders from Stanford’s clinical data warehouse to construct cohorts of patients that either did or did not need a dose change. After feature selection, we trained models to predict the patients who will (or will not) require a dose change after being prescribed one of 34 drugs across 23 drug classes. Overall, we can predict (AUC ≥ 0.70–0.95) a dose reduction for 23 drugs and 22 drug classes. Several of these drugs are associated with clinical guidelines that recommend dose reduction exclusively in the case of adverse reaction. For these cases, a reduction in dosage may be considered as a surrogate for an adverse reaction, which our system could indirectly help predict and prevent. Our study illustrates the role machine learning may take in providing guidance in setting the starting dose for drugs associated with response variability.
A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution
Authors: Naskar Barnali , Bauzá Antonio , Frontera Antonio , Maiti Dilip K. , Das Mukhopadhyay Chitrangada , Goswami Sanchita
Published: October 2018

The selective detection of Al3+ and picric acid in water has been realized by means of a fluorescence spectroscopy-based chemosensor.
A large, X-shaped polyoxometalate [As6Fe7Mo22O98]25− assembled from [AsMo7O27]9− and [FeMo4O19]11− moieties
Authors: Wu Panfeng , Zhang Yanping , Feng Caiting , Liu Bin , Hu Huaiming , Xue Ganglin
Published: October 2018

The X-shaped polyoxometalate contains a unique heptanuclear iron cluster with a spin ground state of S = 7.5.
Facile preparation of hybrid thin films composed of spin-crossover nanoparticles and carbon nanotubes for electrical memory devices
Authors: Tanaka Daisuke , Aketa Naoki , Tanaka Hirofumi , Horike Satoshi , Fukumori Minoru , Tamaki Takashi , Inose Tomoko , Akai Tomoki , Toyama Hirotaka , Sakata Osami , Tajiri Hiroo , Ogawa Takuji
Published: October 2018

In this study, composite films of nanoparticles of an FeII-1,2,4-triazole spin-crossover complex and carbon nanotubes were explored.
A mononuclear cobalt complex for water oxidation: new controversies and puzzles
Authors: Safdari Rasoul , Mohammadi Mohammad Reza , Hołyńska Małgorzata , Chernev Petko , Dau Holger , Najafpour Mohammad Mahdi
Published: October 2018

Herein the role of a mononuclear cobalt(iii) complex, [CoIII(DPKOH)2]ClO4 (DPK = di(2-pyridyl)ketone), in the water electrooxidation process is reinvestigated.
Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis
Authors: Guarra Federica , Marzo Tiziano , Ferraroni Marta , Papi Francesco , Bazzicalupi Carla , Gratteri Paola , Pescitelli Gennaro , Messori Luigi , Biver Tarita , Gabbiani Chiara
Published: October 2018

Solution and solid-state data give a quite clear picture for a bis carbene gold(i) complex having perspective anticancer properties.
Molecular metal-containing soft materials
Authors: Verani Claudio N. , Layfield Richard A.
Published: October 2018

Welcome to this themed issue of Dalton Transactions entitled “Molecular metal-containing soft materials”.
Anaerobic technology
Authors: Guest Jeremy , Novak Paige , Wang Aijie
Published: October 2018

Guest Editors Paige Novak, Jeremy Guest and Aijie Wang introduce the Anaerobic technology themed issue of Environmental Science: Water Research & Technology.
Pharmacokinetics and pharmacodynamics of citrus peel extract in lipopolysaccharide-induced acute lung injury combined with Pinelliae Rhizoma Praeparatum
Authors: Tang Xiuling , Zhao Huanhuan , Jiang Wei , Zhang Song , Guo Shun , Gao Xiaobo , Yang Peng , Shi Lei , Liu Linna
Published: October 2018

Dry citrus peel (Chenpi) is not only consumed as a dietary supplement, but also used for the treatment of respiratory diseases.
Highly sensitive detection of exosomes by 3D plasmonic photonic crystal biosensor
Authors: Zhu Shuyan , Li Hualin , Yang Mengsu , Pang Stella W.
Published: October 2018

The first investigation of 3D plasmonic photonic crystal nanostructures with point-defect cavities and their application in quantitative exosome detection.
Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins
Authors: Wang Qiumei , Yang Chao , Jiang Chao
Published: October 2018

A new, efficient, and atom-economic visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes was developed for the synthesis of 3-acylcoumarins.
Nitric oxide functionalized molybdenum(0) pyrazolone Schiff base complexes: thermal and biochemical study
Authors: Mir Jan Mohammad , Maurya Ram Charitra
Published: October 2018

This work describes the thermal and biological implications of three pyrazolone-dinitrosylmolybdenum(0) complexes.
Self-calibrated optical thermometer based on luminescence from SrLu2O4:Bi3+,Eu3+ phosphors
Authors: Chen Xueyan , Zheng Zhigang , Teng Liming , Wei Rongfei , Hu Fangfang , Guo Hai
Published: October 2018

Bi3+,Eu3+ co-doped SrLu2O4 phosphors were synthesized by a solid state reaction method.
Improved carrier injection of AlGaN-based deep ultraviolet light emitting diodes with graded superlattice electron blocking layers
Authors: So Byeongchan , Kim Jinwan , Kwak Taemyung , Kim Taeyoung , Lee Joohyoung , Choi Uiho , Nam Okhyun
Published: October 2018

DUV-LEDs with a single EBL, graded EBL, and graded superlattice EBL were demonstrated using the high-temperature metal organic chemical vapor deposition system. A DUV-LED with a GSL-EBL showed improved carrier injection into the multi-quantum well region.
Engineering photoautotrophic carbon fixation for enhanced growth and productivity
Authors: Liang Feiyan , Lindberg Pia , Lindblad Peter
Published: October 2018

This review discusses strategies to enhance oxygenic photoautotrophic carbon fixation with a focus on the Calvin–Benson–Bassham cycle.
Synthesis and investigation of tetraphenyltetrabenzoporphyrins for electrocatalytic reduction of carbon dioxide
Authors: Apaydin Dogukan H. , Portenkirchner Engelbert , Jintanalert Pichayada , Strauss Matthias , Luangchaiyaporn Jirapong , Sariciftci Niyazi Serdar , Thamyongkit Patchanita
Published: October 2018

Benzoporphyrins with varying non-noble metal centers can reduce carbon dioxide to carbon monoxide with faradaic efficiencies changing between 33 and 48%.
Meso-scale topological cues influence extracellular matrix production in a large deformation, elastomeric scaffold model
Authors: D'Amore Antonio , Nasello Gabriele , Luketich Samuel K. , Denisenko Dima , Jacobs Daniel L. , Hoff Richard , Gibson Gregory , Bruno Alessandro , T. Raimondi Manuela , Wagner William R.
Published: October 2018

Fiber intersection density affects meso-scale cell aspect ratio and extracellular matrix synthesis in an elastomeric scaffold model under organ-scale deformation.
A Team Approach to Response to Intervention for Speech Sound Errors in the School Setting
Authors: Bruce Laurel , Lynde Sue , Weinhold Juliet , Peter Beate
Published: October 2018

Purpose

Response to intervention (RTI) has been used within the school setting to support students at risk for a variety of communication disorders. Through RTI, these students can receive services prior to determining eligibility for special education, allowing students with speech sound errors (SSEs) to receive support from a speech-language pathologist speech-language pathologist support while still in the stage of speech sound development.

Method

This article discusses the implementation of a team-based RTI model spanning 6 years, which targeted three hundred eighty-nine 7- to 8.5-year-old students with SSEs.

Results

One hundred seventy-two students completed treatment through the RTI process, requiring an average of 6 therapy hours. One hundred eight RTI students needed an Individualized Education Program (IEP) to complete their treatment. Of these students, a subset of 32 who started treatment through RTI and finished through an IEP required an average of 53 therapy hours. This is significantly less than the average of 82 hours found through chart reviews of our own district IEPs.

Conclusion

An RTI process using individual therapy has the potential to reduce the overall treatment time needed for speech sound remediation. Advantages and drawbacks in using an RTI team model for SSEs and providing therapy through individual sessions are discussed.
Simple and robust near‐optimal single differential detection scheme for IEEE 802.15.4 BPSK receivers
Authors: Zhang Gaoyuan , Wen Hong , Wang Longye , Song Liang , Tang Jie , Liao Runfa
Published: October 2018

In this study, the authors propose a simple and robust near‐optimal single differential coherent detection scheme for IEEE 802.15.4 binary phase shift keying (BPSK) receivers. The detection process is initiated by a bootstrap processor, which is responsible for estimating and compensating the residual carrier frequency offset effect in the sample from the autocorrelator output. In particular, for this bootstrap processor, a simple estimator with only one addition operation is provided. This low complexity benefits from that the high signal‐to‐noise ratio and a trigonometric approximation are combined, i.e. , for simplification of the full estimation scheme. Further, to achieve near optimal performance as well as robustness to carrier frequency offset, the observation space is subdivided into four equi‐angular regions to decrease the estimation error introduced by the involved approximation. The proposed method is validated through detailed physical layer (PHY) simulations according to the IEEE 802.15.4 standard. The simulation results demonstrate that, compared with the full estimator, the proposed algorithm can acquire a fairly accurate estimation, with almost no loss of reliability and robustness, whereas complexity reduction is also achieved.
Fast velocity trajectory planning and control algorithm of intelligent 4WD electric vehicle for energy saving using time‐based MPC
Authors: Wu Dong‐mei , Li Yue , Du Chang‐qing , Ding Hai‐tao , Li Yang , Yang Xiao‐bo , Lu Xin‐yue
Published: October 2018

For intelligent four‐wheel‐drive (4WD) electric vehicle (EV), the vehicle speed can be planned and controlled for energy saving based on the slope information of road ahead. To reduce the calculation load of the optimisation algorithm, the model predictive control (MPC) method is formulated based on the time horizon in this study. Furthermore, a fast gradient method based control tool‐GARMPC is used to solve the optimisation problem. First, the longitudinal dynamics model of 4WD EV based on time horizon and distance horizon is established based on the road slope information, respectively. Second, the MPC problem based on the time‐discrete model is formulated and solved by GARMPC tool. For comparison, a dynamic program (DP) control method is introduced based on the distance‐discrete model. Finally, the simulation is conducted under a designed road condition and a real measured road condition. The results show that the time‐horizon based MPC method can significantly reduce the energy consumption compared with the proportion integration differentiation control method, which is similar to the driver's operation. Compared with the DP optimisation method, the time‐based MPC method reduces the calculation time to smaller than 1 ms, which is essential for real‐time application in a road vehicle.
Comprehensive frequency regulation scheme for permanent magnet synchronous generator‐based wind turbine generation system
Authors: Gao David Wenzhong , Wu Ziping , Yan Weihang , Zhang Huaguang , Yan Shijie , Wang Xiao
Published: October 2018

Due to a growing penetration of permanent magnet synchronous generator‐based wind turbinegeneration (PMSG‐WTG) systems into the modern power grid, there is a stronginterest in leveraging the potential capabilities of PMSG‐WTG system toparticipate in the system frequency regulation during the grid event. In thiswork, a novel comprehensive frequency regulation (CFR) scheme is proposedspecifically for rotor‐speed‐control‐oriented PMSG‐WTG systems. The step‐wiseinertial power response enables PMSG to perform the temporary frequency support.The rotor speed and pitch angle controllers are coordinated to curtail the windpower output for the persistent de‐loaded operation, which can facilitate theprimary frequency regulation through the variable‐slope droop control.Furthermore, this CFR control scheme is implemented into the controls advancedresearch turbine 2 (CART2)‐PMSG model, so as to investigate its potential impacton the structural loads of wind turbine. Simulation results show CFR candramatically enhance overall frequency regulation capability of the PMSG‐WTG'ssystem and mitigate the frequency oscillations over a full range of wind speedswithout causing large mechanical damages to the wind turbine.
Impact of measurement errors on the inferred stellar asteroseismic ages
Authors: Valle G. , Dell’Omodarme M. , Prada Moroni P. G. , Degl’Innocenti S.
Published: October 2018

Aims.We aim to perform a theoretical investigation on the direct impact of measurement errors in the observational constraints on the recovered age for stars in main sequence (MS) and red giant branch (RGB) phases. We assumed that a mix of classical (effective temperatureTeffand metallicity [Fe/H]) and asteroseismic (Δνandνmax) constraints were available for the objects.

Methods.Artificial stars were sampled from a reference isochrone and subjected to random Gaussian perturbation in their observational constraints to simulate observational errors. The ages of these synthetic objects were then recovered by means of a Monte Carlo Markov chains approach over a grid of pre-computed stellar models. To account for observational uncertainties the grid covers different values of initial helium abundance and mixing-length parameter, that act as nuisance parameters in the age estimation.

Results.The obtained differences between the recovered and true ages were modelled against the errors in the observables. This procedure was performed by means of linear models and projection pursuit regression models. The first class of statistical models provides an easily generalizable result, whose robustness is checked with the second method. From linear models we find that no age error source dominates in all the evolutionary phases. Assuming typical observational uncertainties, for MS the most important error source in the reconstructed age is the effective temperature of the star. An offset of 75 K accounts for an underestimation of the stellar age from 0.4 to 0.6 Gyr for initial and terminal MS. An error of 2.5% inνmaxresulted the second most important source of uncertainty accounting for about −0.3 Gyr. The 0.1 dex error in [Fe/H] resulted particularly important only at the end of the MS, producing an age error of −0.4 Gyr. For the RGB phase the dominant source of uncertainty isνmax, causing an underestimation of about 0.6 Gyr; the offset in the effective temperature and Δνcaused respectively an underestimation and overestimation of 0.3 Gyr. We find that the inference from the linear model is a good proxy for that from projection pursuit regression models. Therefore, inference from linear models can be safely used thanks to its broader generalizability. Finally, we explored the impact on age estimates of adding the luminosity to the previously discussed observational constraints. To this purpose, we assumed – for computational reasons – a 2.5% error in luminosity, much lower than the average error in theGaiaDR2 catalogue. However, even in this optimistic case, the addition of the luminosity does not increase precision of age estimates. Moreover, the luminosity resulted as a major contributor to the variability in the estimated ages, accounting for an error of about −0.3 Gyr in the explored evolutionary phases.
Process of hydraulic models calibration
Authors: Zimoch Izabela , Bartkiewicz Ewelina
Published: October 2018

Mathematical modelling of the water supply systems (WSS) and water quality changes in the system is a complex and difficult task to solve, it requires an interdisciplinary approach to considering the determinants of WSS work. Prognosis models of the WSS in relation to hydraulic quantities are well known and there are many packages that implement these models. These packages allow you to calculate the flow and pressure in the water distribution system under certain operating conditions. However, to make a hydraulic model a useful tool in the management of water supply systems, a calibration process is required. This process involves estimating model parameters to minimize the difference between model results and actual observations. This is a complex and multi-stage process where the network graph and parameters such as roughness coefficient, pump characteristics, or nodal demands are checked and corrected. The following work contains a complex process of calibration of the actual WSS that supplies water to the customers of the selected part of the Silesian agglomeration.
The quality of groundwater in rural areas and its impact on the functioning of local water intakes
Authors: Nowak Robert , Imperowicz-Pawlaczyk Anna
Published: October 2018

The main purpose of this paper is to indicate the impact of changes in the quality of groundwater intakes on the functioning of rural water supply systems. In particular, the important factors for the groundwater quality in rural areas have been presented. Results of research on the quality parameters of groundwater, obtained in 2012 ÷ 2016 for selected small water intakes in north-western Poland, were presented. The quality of groundwater in the subsequent analyzed years was deteriorating. There was an increase in the content of iron and manganese compounds, ammonium ions, as well as the presence of bacteriological contaminants in test water samples. For these reasons, problems with providing the receivers with water of appropriate quality parameters have been reported in described rural intakes. The paper is an attempt to show the relationship between the type and magnitude of changes in the quality of groundwater and the efficiency of the treatment plant. In addition, pro-quality activities undertaken by local water companies were emphasized.
Methodical basis of the needs of water supply in rural areas in normal and special conditions
Authors: Sikorski Mikołaj , Bauman-Kaszubska Hanna
Published: October 2018

When calculating the balance of water supply, the purpose for which water is intended should be taken into account. Depending on them, the water quality parameters may vary. Rural and agricultural water demand covers the basic types of water demand, including the population's living and economic needs, animal husbandry, the needs of public utilities, the needs related to the operation of vehicles and machinery, workshops, machines and other purposes, including the own needs of the water pipes, fire-fighting etc. The level of demand is also closely related to the factors influencing the level of individual water consumption. Taking into account the deficiencies in formal and legal regulations, the binding regulations concerning the operation of water supply systems in special conditions have been presented so far. Elements of the benchmarking study on unit water demand indicators in normal and special conditions in rural areas have also been taken into account, guided by the principles and numerical indicators for the calculation of water demand for drinking and business purposes.
Smart specialization as a factor stimulating innovative development of water and wastewater economy
Authors: Machnik-Słomka Joanna
Published: October 2018

The article discusses the issue of smart specializations treated as a significant mechanism stimulating innovative development of water and wastewater economy. The article shows the links between the developing of smart specializations and the possibility of development innovative, research and development of the economy. The aim of the article is to present the meaning of the concept of smart specialization in the development of innovative water and wastewater economy at the national level and on the example of the Silesian Region. To achieve the goal, the theoretical assumptions of the concept of smart specialization were also presented. In particular, the article emphasizes the need for cooperation, establishing partnerships for the development of smart specializations that contribute to solving problems and increasing the competitiveness of EU countries and regions.
Differential absorbance as evaluation method of TOX concentrations generated during surface water chlorination
Authors: Jodłowski Andrzej
Published: October 2018

Chlorination of waters containing natural organic matter (NOM) produces disinfection by-products (DBPs) including harmful THMs and HAAs. A collective parameter and toxicity index of all chlorination products contained in finished water is the total concentration of organic-bound halogen compounds (TOX). Determination of this indicator is carried out by adsorption-pyrolysis method, which is complicated and requires specialized apparatus. The competitive method of TOX concentration determination in water is differential absorbance. Effect of natural organic matter removal from surface waters in coagulation as well in coagulation and adsorption processes on the decrease of TOX concentration measured by differential absorbance was determined.
Interaction of deformation-strength characteristics of the support load-bearing elements in the preparatory workings
Authors: Kovalevska Iryna , Barabash Mykhailo , Husiev Oleksandr , Snihur Vasyl
Published: October 2018

The objective of this work is to study the relationship of the deformation-strength characteristics of the fastening system with its displacement value. The tendencies of influence are divided into two groups. The multivariate computational experiments have been performed in the conditions of coal-face works. It is shown the influence of geomechanical conditions of the mine working maintenance on the fastening system operating mode change when choosing its rational deformation-strength characteristics. On the basis of the performed studies, it was concluded that it is necessary to adjust the fastening elements of each specific support setting scheme. This is necessary to provide recommendations for the maintenance schemes optimization of reusable extraction workings.