bluuebunny/crossref_metadata_2025 huggingface dataset:
Large‐Scale Quantum Many‐Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor–Acceptor Hybrid PBI–Macrocycle Complex
Authors: Ziaei Vafa , Bredow Thomas
Published: December 2016

The reliable calculation of the excited states of charge‐transfer (CT) compounds poses a major challenge to the ab initio community because the frequently employed method, time‐dependent density functional theory (TD‐DFT), massively relies on the underlying density functional, resulting in heavily Hartree–Fock (HF) exchange‐dependent excited‐state energies. By applying the highly sophisticated many‐body perturbation approach, we address the encountered unreliabilities and inconsistencies of not optimally tuned (standard) TD‐DFT regarding photo‐excited CT phenomena, and present results concerning accurate vertical transition energies and the correct energetic ordering of the CT and the first visible singlet state of a recently synthesized thermodynamically stable large hybrid perylene bisimide–macrocycle complex. This is a large‐scale application of the quantum many‐body perturbation approach to a chemically relevant CT system, demonstrating the system‐size independence of the quality of the many‐body‐based excitation energies. Furthermore, an optimal tuning of the ωB97X hybrid functional can well reproduce the many‐body results, making TD‐DFT a suitable choice but at the expense of introducing a range‐separation parameter, which needs to be optimally tuned.
Catalytic Activity of Gold(I) Complexes with Hemilabile P,N Ligands
Authors: Michelet Bastien , Lebœuf David , Bour Christophe , Škoch Karel , Horký Filip , Štěpnička Petr , Gandon Vincent
Published: December 2016

Two new cationic dinuclear gold(I) complexes, [Au2{μ(P,N)‐5}2]X2—in which X=NTf2 (7; Tf=trifluoromethanesulfonate) or SbF6 (8) and 2‐(diphenylphosphanyl)benzonitrile (5) is a P,N‐bridging donor—have been synthesized and structurally characterized. These air‐stable species and their dimeric and polymeric analogues possessing 1′‐(diphenylphosphanyl)‐1‐cyanoferrocene (1) as the bridging ligand, [Au2{μ(P,N)‐1}2](NTf2)2 and [Au{μ(P,N)‐1}]n[SbF6]n, were used as precatalysts in various Au‐mediated C−C and C−O bond‐forming reactions. The reactivity of these complexes revealed the hemilabile nature of their P,N ligands. In the series of tested precatalysts, complex 8 exerted particularly high catalytic activity at low Au loading, even in reactions that usually require high amounts of gold catalyst to proceed efficiently under standard reaction conditions.
Simultaneous automatic scoring and co‐registration of hormone receptors in tumor areas in whole slide images of breast cancer tissue slides
Authors: Trahearn Nicholas , Tsang Yee Wah , Cree Ian A. , Snead David , Epstein David , Rajpoot Nasir
Published: December 2016

Automation of downstream analysis may offer many potential benefits to routine histopathology. One area of interest for automation is in the scoring of multiple immunohistochemical markers to predict the patient's response to targeted therapies. Automated serial slide analysis of this kind requires robust registration to identify common tissue regions across sections. We present an automated method for co‐localized scoring of Estrogen Receptor and Progesterone Receptor (ER/PR) in breast cancer core biopsies using whole slide images. Regions of tumor in a series of fifty consecutive breast core biopsies were identified by annotation on H&E whole slide images. Sequentially cut immunohistochemical stained sections were scored manually, before being digitally scanned and then exported into JPEG 2000 format. A two‐stage registration process was performed to identify the annotated regions of interest in the immunohistochemistry sections, which were then scored using the Allred system. Overall correlation between manual and automated scoring for ER and PR was 0.944 and 0.883, respectively, with 90% of ER and 80% of PR scores within in one point or less of agreement. This proof of principle study indicates slide registration can be used as a basis for automation of the downstream analysis for clinically relevant biomarkers in the majority of cases. The approach is likely to be improved by implantation of safeguarding analysis steps post registration. © 2016 International Society for Advancement of Cytometry
Proportion of circulating tumor cell clusters increases during cancer metastasis
Authors: Suo Yuanzhen , Xie Chengying , Zhu Xi , Fan Zhichao , Yang Zhangru , He Hao , Wei Xunbin
Published: December 2016

Circulating tumor cell (CTC) clusters are found among CTCs and show significantly greater potential for an important role in cancer metastasis than single CTCs, which have been traditionally believed as the majority of CTCs. The accurate proportion and dynamics of CTC clusters remain unclear due to the fact that CTCs in blood flow are very difficult to detect in vivo and in vitro. CTC clusters are even more difficult to be distinguished from CTCs without perturbation by state‐of‐the‐art detection methods. Here, we demonstrate that by using in vivo flow cytometry (IVFC), we can reliably measure the proportion and dynamics of CTC clusters in two murine tumor models. CTC clusters are easily identified by their unique fluorescent pattern with multiple peaks and wider time duration. We find that the proportion of CTC clusters increases significantly during cancer metastasis in both mouse models, the orthotopic liver cancer and the subcutaneous prostate cancer models. Our results suggest that CTC clusters account for a much larger proportion of CTCs than previously anticipated. Hence this report might provide a new‐level of understanding of CTCs during cancer development and progression. © 2016 International Society for Advancement of Cytometry
Offshore aquaculture: Spatial planning principles for sustainable development
Authors: Gentry Rebecca R. , Lester Sarah E. , Kappel Carrie V. , White Crow , Bell Tom W. , Stevens Joel , Gaines Steven D.
Published: December 2016

Marine aquaculture is expanding into deeper offshore environments in response to growing consumer demand for seafood, improved technology, and limited potential to increase wild fisheries catches. Sustainable development of aquaculture will require quantification and minimization of its impacts on other ocean‐based activities and the environment through scientifically informed spatial planning. However, the scientific literature currently provides limited direct guidance for such planning. Here, we employ an ecological lens and synthesize a broad multidisciplinary literature to provide insight into the interactions between offshore aquaculture and the surrounding environment across a spectrum of spatial scales. While important information gaps remain, we find that there is sufficient research for informed decisions about the effects of aquaculture siting to achieve a sustainable offshore aquaculture industry that complements other uses of the marine environment.
Can spatial sorting associated with spawning migration explain evolution of body size and vertebral number inAnguillaeels?
Authors: Forsman Anders , Berggren Hanna
Published: December 2016

Spatial sorting is a process that can contribute to microevolutionary change by assembling phenotypes through space, owing to nonrandom dispersal. Here we first build upon and develop the “neutral” version of the spatial sorting hypothesis by arguing that in systems that are not characterized by repeated range expansions, the evolutionary effects of variation in dispersal capacity and assortative mating might not be independent of but interact with natural selection. In addition to generating assortative mating, variation in dispersal capacity together with spatial and temporal variation in quality of spawning area is likely to influence both reproductive success and survival of spawning migrating individuals, and this will contribute to the evolution of dispersal‐enhancing traits. Next, we use a comparative approach to examine whether differences in spawning migration distance among 18 species of freshwaterAnguillaeels have evolved in tandem with two dispersal‐favoring traits. In our analyses, we use information on spawning migration distance, body length, and vertebral number that was obtained from the literature, and a published whole mitochondrialDNA‐based phylogeny. Results from comparative analysis of independent contrasts showed that macroevolutionary shifts in body length throughout the phylogeny have been associated with concomitant shifts in spawning migration. Shifts in migration distance were not associated with shifts in number of vertebrae. These findings are consistent with the hypothesis that spatial sorting has contributed to the evolution of more elongated bodies in species with longer spawning migration distances, or resulted in evolution of longer migration distances in species with larger body size. This novel demonstration is important in that it expands the list of ecological settings and hierarchical levels of biological organization for which the spatial sorting hypothesis seems to have predictive power.
Microsite and grazing intensity drive infiltration in a semiarid woodland
Authors: Vandandorj Sumiya , Eldridge David J. , Travers Samantha K. , Val James , Oliver Ian
Published: December 2016

Human activities such as vegetation removal and overgrazing that result in changes in land cover have substantial impacts on ecosystem processes, including the infiltration of water. Different land cover types (microsites) vary in their capacity to conduct water, but the extent to which infiltration is affected by different herbivores or microsites is largely unknown. We examined the effects of grazing and microsite on infiltration in two extensive woodland communities in semiarid eastern Australia that vary in current condition. Poor condition sites had lower steady‐state infiltration under ponding than either average or good condition sites, and this effect was consistent across the two communities. Ponded infiltration and sorptivity beneath grasses, shrubs or trees were about twice that on bare soil, and this corresponded to greater indices of macroporosity. Structural equation modelling showed that shrubs, trees, and grasses had strong positive effects on sorptivity and steady‐state infiltration under ponding, whereas grazing had generally negative effects. The suppressive effects of grazing on soil hydrological processes were mainly due to cattle grazing. The positive effects of grasses, shrubs, and trees on hydrology were twice as strong as the negative effects of grazing. Our results also suggest that prolonged overgrazing that leads to reductions in grass cover is likely to have a synergistic reduction in hydrological function in these woodlands by reducing the cover of highly conductive patches and by reducing the extent of macropores.
IL‐10 production in murine IgM+CD138hi cells is driven by Blimp‐1 and downregulated in class‐switched cells
Authors: Suzuki‐Yamazaki Nao , Yanobu‐Takanashi Rieko , Okamura Tadashi , Takaki Satoshi
Published: December 2016

In contrast to antibody‐induced inflammatory responses, some B‐cell subpopulations suppress inflammation through the production of interleukin (IL)‐10. However, the mechanisms underlying Il10 gene expression during B‐cell development is elusive. Here, we identify IgM+B220loCD138hi cells responsible for marked IL‐10 production in the bone marrow and spleen of mice. These murine IL‐10‐producing cells predominantly secrete IgM and have unique characteristics of long‐lived plasma cells in spite of high expression of surface IgM. We found that IL‐10 production is strongly correlated with the expression level of Prdm1 (encoding the Blimp‐1 protein), an essential regulator of plasma cell development. Furthermore, overexpression of Prdm1 induces Il10 expression in naïve B cells. Immunoglobulin class‐switching recombination events resulted in the downregulation of both Il10 and Prdm1 expression in differentiating B cells. Thus, the prolonged elevation of Blimp‐1 expression during the formation of IgM+CD138hi cells without class‐switching elicits IL‐10 production. Adoptive transfer of Il10‐deficient B cells into B‐cell‐deficient mice demonstrated that IgM+CD138hi cell‐derived IL‐10 supports the survival of class‐switched plasma cells and their antibody production in response to antigen challenge. These findings reveal an important role for IL‐10 secretion by IgM+CD138hi cells in the complete and efficient humoral response.
MHC class II alleles associated with Th1 rather than Th17 type immunity drive the onset of early arthritis in a rat model of rheumatoid arthritis
Authors: Tuncel Jonatan , Haag Sabrina , Holmdahl Rikard
Published: December 2016

Polymorphisms in the MHC class II (MHCII) genes are strongly associated with rheumatoid arthritis, supporting the importance of autoreactive T helper (Th) cells for the development of this disease. Here, we used pristane‐induced arthritis (PIA), induced by the non‐antigenic hydrocarbon pristane, to study the impact of different MHCII alleles on T‐cell activation and differentiation. In MHCII‐congenic rats with disease‐promoting MHCII alleles, pristane primarily induced activation of Th1 cells, whereas activated T cells were Th17 biased in rats with protective MHCII alleles. Neutralization of IFN‐γ during T‐cell activation abrogated the development of disease, suggesting that Th1 immunity is important for disease induction. Neutralization of IL‐17, by contrast, suppressed arthritis only when performed in rats with established disease. Adoptive T‐cell transfers showed that T cells acquired arthritogenic capacity earlier in strains with a prevailing Th1 response. Moreover, upon pristane injection, these strains exhibited more Ag‐primed OX40+ and proliferating T cells of polyclonal origin. These data show that T cells are polarized upon the first encounter with peptide‐MHCII complexes in an allele‐dependent fashion. In PIA, the polyclonal expansion of autoreactive Th1 cells was necessary for the onset of arthritis, while IL‐17 mediated immunity contributed to the progression to chronic disease.
Silylene‐Induced Reduction of [Mn2(CO)10]: Formation of a Five‐Coordinate Silicon(IV) Complex with an O‐Bound [(OC)4Mn=Mn(CO)4]2– Ligand
Authors: Baus Johannes A. , Poater Jordi , Bickelhaupt F. Matthias , Tacke Reinhold
Published: December 2016

Treatment of the donor‐stabilized silylene [iPrNC(NiPr2)NiPr]2Si (1) with [Mn2(CO)10] leads to the five‐coordinate silicon(IV) complex 6, accompanied by elimination of two CO molecules. In this redox reaction, the dimanganese fragment is reduced to form an [(OC)4Mn=Mn(CO)4]2– moiety that is coordinated to the silicon(IV) species {[iPrNC(NiPr2)NiPr]2Si}2+.
Synthesis and Characterization of Ruffled Phosphorus meso‐Ester Corroles
Authors: Gao Di , Azarias Cloé , D'Aléo Anthony , Giorgi Michel , Siri Olivier , Balaban Teodor Silviu , Jacquemin Denis , Canard Gabriel
Published: December 2016

The strong electron‐withdrawing character of 5,15‐meso‐ester groups was demonstrated through the study of four fluorescent hexacoordinate phosphorus(V) meso‐substituted corroles, which were characterized by various techniques including single‐crystal X‐ray diffraction and first‐principles calculations. The nature of the remaining meso substituent tunes the physicochemical properties of these phosphorus complexes only slightly but unexpectedly plays a key role in the ruffling of the macrocycle.
Blue Luminescent Copper(I) Complexes Bearing a Diphosphine Dioxide Ligand and Enhancement of Emission in the Solid State under Argon
Authors: Nishi Tatsuya , Nishikawa Michihiro , Tsubomura Taro
Published: December 2016

A series of copper(I) complexes bearing a bis(diphenylphosphoryl)amide (dppaO2–) ligand and a diphosphine ligand were synthesized, and their photophysical properties were investigated. Two complexes, [Cu(dppaO2)(DPEphos)] {DPEphos = bis[2‐(diphenylphosphanyl)phenyl] ether} and [Cu(dppaO2)(XANTPHOS)] [XANTPHOS = 9,9‐dimethyl‐4,5‐bis(diphenylphosphanyl)xanthene], show bright white‐blue and deep blue luminescence, respectively, in the solid state. The quantum yield of [Cu(dppaO2)(XANTPHOS)] is 0.76 under argon and 0.38 under air. The emission decay curves under argon [τ = 7.9 (17 %), 30.0 µs (83 %)] in the solid state are longer than those under air [τ = 2.5 (19 %), 13.9 µs (81 %)]. The photophysical properties of the complexes are discussed together with the results of DFT and time‐dependent DFT (TD‐DFT) calculations.
Synthesis of Pyrazole‐Based Pyridine Ligands and Their Use as Extractants for Nickel(II) and Copper(II): Crystal Structure of a Copper(II)–Ligand Complex
Authors: Pearce Brendan H. , Ogutu Hezron F. , Luckay Robert C.
Published: December 2016

Three pyrazole‐based pyridine ligands, 2‐(3‐butyl‐1H‐pyrazol‐5‐yl)pyridine (1), 2‐[3‐(tert‐butyl)‐1H‐pyrazol‐5‐yl]pyridine (2) and 2‐(3‐octyl‐1H‐pyrazol‐5‐yl)pyridine (3) were synthesised and fully characterised using conventional means. We then carried out a comprehensive solvent‐extraction study of NiII and CuII in the presence and absence of a synergist (sodium p‐dodecylbenzenesulfonate). The solvent extraction of only NiII in the presence of a synergist produced extraction values between 72 and 73 %. The competitive extraction of NiII and CuII from a base‐metal ion mix (Co2+, Ni2+, Zn2+, Cu2+, Pb2+ and Cd2+) produced extraction values of 85–90 % extraction of CuII for two ligands without synergists and values for CuII and NiII with synergists were in the range 38–45 %. Selectivity studies in favour of the targeted CuII, where the metal ion's concentration was 10 and 100 times lower than the concentration of the other base‐metal ions, showed extremely good selectivity for CuII. Metal‐ion stripping studies were carried out at pH 1.00, producing moderate results. pH isotherms for NiII and CuII were very broad, with CuII showing higher extraction results than NiII. Time‐dependent extraction studies showed equilibration after 2–8 h. Finally, single crystals of the aqua{2‐[3‐(tert‐butyl)‐1H‐pyrazol‐5‐yl]pyridine}dinitratocopper(II) complex were obtained. The coordination around the copper(II) centre is pseudo‐square‐pyramidal.
Nutritional composition, extraction, and utilization of wheat germ oil: A review
Authors: Ghafoor Kashif , Özcan Mehmet Musa , AL‐Juhaımı Fahad , Babıker Elfadıl E. , Sarker Zaidul Islam , Ahmed Isam A. Mohamed , Ahmed Mohammed Asif
Published: December 2016

Wheat germ is a by‐product of wheat milling from which wheat germ oil (WGO) can be obtained using different techniques. For a better quality WGO, techniques such supercritical fluid fractionation, molecular distillation, and other innovative methods can be adopted. WGO is composed of nonpolar lipids, glycolipids, phospholipids, alcohols, esters, alkene, aldehydes, tocopherols, n‐alkanols, sterols, 4‐methyl sterols, triterpenols, hydrocarbons, pigments, and volatile components. The most abundant WGO fatty acid is linoleic acid which composes 42–59% of total triglycerides followed by palmitic (16:0) and oleic acids (18:1). The stearic acid, a saturated fatty acid, is usually less than 2%. WGO is rich in tocopherols particularly vitamin E. It contains α‐tocopherol and β‐tocopherol which gives various health benefits to it. It is being used in medicine, cosmetic, agricultural, and food industry. Some of its applications include production of vitamins and food supplements, animal feed and biological insect control and for treating circulatory/cardiac disorders and weaknesses. More studies are required for producing better quality WGO such as application of more innovative and optimized techniques that can increase its health benefits and hence utilization. More mechanistic approaches for extraction, evaluation, and utilization of WGO can help in making this by‐product of wheat processing more valuable.

Practical application: Wheat is a major food crop around the globe and produced and processed in large quantities. Its by‐products such as wheat germ can be used to obtain value added products. Oil obtained from wheat germ is found to be a good source of various nutritionally beneficial constituents and carry important health benefits and functional properties. The review will help researchers to carry out further research to improve processing and the quality of oil besides emphasizing on its beneficial aspects. It will also assist in better utilization of this wheat by‐product to develop value added products and nutraceuticals after carrying out further studies.

Wheat germ oil is a valuable by‐product from wheat grain which is a good source of important nutraceuticals such as α‐ and β‐tocopherol. Extraction of this oil from wheat germ is important for the effective utilization of its various potential nutraceuticals that have reported health benefits. This review also explains detailed chemical composition, processing, functional activities, and potential utilization of wheat germ oil.
Production of diacylglycerol‐enriched oils by enzymatic interesterification and molecular distillation using soybean oil and distilled saturated monoacylglycerol
Authors: Chen Qiong , Li Ying , Fu Junning , Ma Xiang , Teng Yinglai , Wang Yong
Published: December 2016

The blend of refined soybean oil and distilled saturated monoacylglycerol in a mass ratio of 70: 30 w/w were enzymatically interesterified under the optimized enzyme dosage (5% w/w) and time (5 h) at 60°C, followed by further purification through molecular distillation (MD). All samples were evaluated and compared in terms of their iodine value (IV), acylglycerols, fatty acid composition, solid fat content (SFC), crystallization, and melting properties. The diacylglycerol content in the MD residual was found increased from 16.2% in interesterified oils to 22.6%. As the temperature increased, the SFC in the MD residual declined to the similar level of that in RSO. However, the crystallization onset temperature and melting point measured by differential scanning calorimetry were much higher than those of RSO. Moreover, the presence of β′ crystal was found in the MD residual by X‐ray diffraction and polarized light microscopy. In addition, the MD distillate had 27.4% of unsaturated fatty acids and the lowest IV amongst samples. Considering the properties above, the MD residual (diacylglycerol‐enriched oil) could be considered as plastic fats for fluid margarine and the MD distillate (by‐product) with 36.8 g/100 g of IV could be a potential emulsifier for oil and fat products.

Practical applications: An innovative design for the production of diacylglycerol‐enriched oils was developed through optimized enzymatic interesterification and MD afterwards using oversupplied DSM and inexpensive RSO in China. On one hand, the resulting MD residual showed its promising application for fluid margarine because of its relatively high value in DAG, unsaturated fatty acid content, crystallization onset temperature, and melting point, as well as the existence of β′ crystal form found inside. On the other hand, the MD distillate as the MD by‐product may become a novel food emulsifier preferred by general consumers due to its lowest IV and enhanced unsaturated fatty acid content.

The production of DAG‐enriched oils was developed using refined soybean oil (RSO) and distilled saturated monoacylglycerol (DSM) via coupling of optimized enzymatic interesterification and molecular distillation. The resulting MD residual and distillate were characterized by several physical and chemical analyses (e.g., GC‐FID, DSC, p‐NMR, XRD, and PLM) in order to prove their applicability for oil and fat products, especially in fluid margarine and food emulsification.
Synthesis of N‐Arylcarbazoles by Palladium‐Catalyzed Direct C–H Arylation of 2‐(Diarylamino)phenyl Triflates
Authors: Uwa Koji , Tseng Ya‐Yi , Kamikawa Ken
Published: December 2016

The palladium‐catalyzed direct arylation of a series of 2‐(diarylamino)phenyl triflates was examined. The triflates were first synthesized in moderate to good yields through the CuI‐catalyzed aryl amination of aminophenol and aryl iodides, followed by triflation of the resulting triarylphenols. The thus‐obtained 2‐(diarylamino)phenyl triflates were subjected to direct C–H arylation under Pd catalysis to furnish the corresponding N‐arylcarbazoles in excellent yields if Josiphos was used as the supporting ligand.
Diastereoselective Construction of α‐Silyltetrahydropyranols through Silyl‐Oxa‐Prins Cyclization
Authors: Gandhamsetty Narasimhulu , Jee Soyeon , Chang Sukbok
Published: December 2016

The Brønsted acid mediated selective silyl‐oxa‐Prins cyclization of α‐silyloxy homoallylsilanes with various aldehydes was achieved. Synthetically valuable α‐silyltetrahydropyranol products were obtained in high yields with excellent diastereoselectivities. Both syn‐ and anti‐isomeric tetrahydropyranols were selectively obtained by tuning the olefinic geometry of the substrates. The procedure is operationally simple and convenient to perform even on a large scale under mild conditions.
Synthesis of Silver Nanoparticle‐Graphene Composites for Electroanalysis Applications using Chemical and Electrochemical Methods
Authors: Golinelli Diego L.C. , Machado Sergio A.S. , Cesarino Ivana
Published: December 2016

An electrochemical device was developed for the simultaneous determination of sulfamethoxazole (SMX) and trimethoprim (TMP) using differential pulse voltammetry and glassy carbon (GC) electrodes modified with reduced graphene oxide (rGO) and silver nanoparticle (AgNP) composites, synthesised using both chemical and electrochemical methods. The morphology and electrochemical behaviour of the GC electrodes modified with the rGO/AgNP (chemical method) and rGO‐AgNP (electrochemical method) composites were characterised by scanning electron microscopy and cyclic voltammetry. These techniques demonstrated that, in both methods, the graphene oxide was modified by the AgNPs, and the composite synthesised by the electrochemical method showed a better dispersion of the nanoparticles, resulting in an increase in the surface area compared to the rGO/AgNP composite. The GC/rGO‐AgNP electrode was evaluated and optimised for the simultaneous determination of SMX and TMP, achieving detection limits of 0.6 μmol L−1 for the SMX and 0.4 μmol L−1 for the TMP. The proposed GC/rGO‐AgNP electrochemical device was successfully applied to the simultaneous determination of SMX and TMP in wastewaters samples.
High tolerance to glycerol and high production of 1,3‐propanediol in batch fermentations by microbial consortium from marine sludge
Authors: Jiang LiLi , Liu HuiFang , Mu Ying , Sun YaQin , Xiu ZhiLong
Published: December 2016

1,3‐Propanediol (1,3‐PD) is a versatile bulk chemical and widely used as a monomer to synthesis polymers, such as polyesters, polyethers and polyurethanes. 1,3‐PD can be produced by microbial fermentation with the advantages of the environmental protection and sustainable development. Low substrate tolerance and wide by‐product profile limit microbial production of 1,3‐PD by Klebsiella pneumonia on industrial scale. In this study, microbial consortia were investigated to overcome some disadvantages of pure fermentation by single strain. Microbial consortium named DL38 from marine sludge gave the best performance. Its bacterial community composition was analyzed by 16S rRNA gene amplicon high‐throughput sequencing and showed that Enterobacteriaceae was the most abundant family. Compared with three K. pneumonia strains isolated from DL38, the microbial consortium could grow well at an initial glycerol concentration of 200 g/L to produce 81.40 g/L of 1,3‐PD with a yield of 0.63 mol/mol. This initial glycerol concentration is twice the highest concentration by single isolated strain and more than the critical value (188 g/L) extrapolated from the fermentation kinetics for K. pneumonia. On the other hand, a small amount of by‐products were produced in batch fermentation of microbial consortium DL38,  especially no 2,3‐butanediol detected. The mixed culture of strain W3, Y5 and Y1 improved the tolerance to glycerol and changed the metabolite profile of single strain W3. The batch fermentation with the natural proportion (W3: Y5: Y1 = 208: 82: 17) was superior to that with other proportions and single strain. This study showed that microbial consortium DL38 possessed excellent substrate tolerance, narrow by‐product profile and attractive potential for industrial production of 1,3‐PD.
Effects of aripiprazole and haloperidol on neural activation during a simple motor task in healthy individuals: A functional MRI study
Authors: Goozee Rhianna , O'Daly Owen , Handley Rowena , Reis Marques Tiago , Taylor Heather , McQueen Grant , Hubbard Kathryn , Pariante Carmine , Mondelli Valeria , Reinders Antje A.T.S. , Dazzan Paola
Published: December 2016

The dopaminergic system plays a key role in motor function and motor abnormalities have been shown to be a specific feature of psychosis. Due to their dopaminergic action, antipsychotic drugs may be expected to modulate motor function, but the precise effects of these drugs on motor function remain unclear. We carried out a within‐subject, double‐blind, randomized study of the effects of aripiprazole, haloperidol and placebo on motor function in 20 healthy men. For each condition, motor performance on an auditory‐paced task was investigated. We entered maps of neural activation into a random effects general linear regression model to investigate motor function main effects. Whole‐brain imaging revealed a significant treatment effect in a distributed network encompassing posterior orbitofrontal/anterior insula cortices, and the inferior temporal and postcentral gyri. Post‐hoc comparison of treatments showed neural activation after aripiprazole did not differ significantly from placebo in either voxel‐wise or region of interest analyses, with the results above driven primarily by haloperidol. We also observed a simple main effect of haloperidol compared with placebo, with increased task‐related recruitment of posterior cingulate and precentral gyri. Furthermore, region of interest analyses revealed greater activation following haloperidol compared with placebo in the precentral and post‐central gyri, and the putamen. These diverse modifications in cortical motor activation may relate to the different pharmacological profiles of haloperidol and aripiprazole, although the specific mechanisms underlying these differences remain unclear. Evaluating healthy individuals can allow investigation of the effects of different antipsychotics on cortical activation, independently of either disease‐related pathology or previous treatment. Hum Brain Mapp 38:1833–1845, 2017. © 2017 Wiley Periodicals, Inc.
Taking the brakes off the learning curve
Authors: Gheysen Freja , Lasne Gabriel , Pélégrini‐Issac Mélanie , Albouy Genevieve , Meunier Sabine , Benali Habib , Doyon Julien , Popa Traian
Published: December 2016

Motor learning is characterized by patterns of cerebello‐striato‐cortical activations shifting in time, yet the early dynamic and function of these activations remains unclear. Five groups of subjects underwent either continuous or intermittent theta‐burst stimulation of one cerebellar hemisphere, or no stimulation just before learning a new motor sequence during fMRI scanning. We identified three phases during initial learning: one rapid, one slow, and one quasi‐asymptotic performance phase. These phases were not changed by left cerebellar stimulation. Right cerebellar inhibition, however, accelerated learning and enhanced brain activation in critical motor learning‐related areas during the first phase, continuing with reduced brain activation but high‐performance in late phase. Right cerebellar excitation did not affect the early learning process, but slowed learning significantly in late phase, along with increased brain activation. We conclude that the right cerebellum is a key factor coordinating other neuronal loops in the early acquisition of an explicit motor sequential skill. Hum Brain Mapp 38:1676–1691, 2017. © 2016 Wiley Periodicals, Inc.
Understory and small trees contribute importantly to stemflow of a lower montane cloud forest
Authors: González‐Martínez Teresa Margarita , Williams‐Linera Guadalupe , Holwerda Friso
Published: December 2016

Stemflow (Sf) measurements in tropical rain and montane forests dominated by large trees rarely include the understory and small trees. In this study, contributions of lower (1‐ to 2‐m height) and upper (>2‐m height and <5‐cm diameter at breast height [DBH]) woody understory, small trees (5 < DBH < 10 cm), and canopy trees (>10‐cm DBH) to Sf per unit ground area (Sfa) of a Mexican lower montane cloud forest were quantified for 32 days with rainfall (P) during the 2014 wet season. Rainfall, stemflow yield (Sfy), vegetation height, density, and basal area were measured. Subsequently, stemflow funneling ratios (SFRs) were calculated, and three common methods to scale up Sfy from individual trees to the stand level (tree‐Sfy correlation, P‐Sfy correlation, and mean‐Sfy extrapolation) were used to calculate Sfa. Understory woody plants, small trees, and upper canopy trees represented 96%, 2%, and 2%, respectively, of the total density. Upper canopy trees had the lowest SFRs (1.6 ± 0.5 Standard Error (SE) on average), although the lower understory had the highest (36.1 ± 6.4). Small trees and upper understory presented similar SFRs (22.9 ± 5.4 and 20.2 ± 3.9, respectively). Different Sf scaling methods generally yielded similar results. Overall Sfa during the study period was 22.7 mm (4.5% of rainfall), to which the understory contributed 70.1% (15.9 mm), small trees 10.6% (2.4 mm), and upper canopy trees 19.3% (4.4 mm). Our results strongly suggest that for humid tropical forests with dense understory of woody plants and small trees, Sf of these groups should be measured to avoid an underestimation of overall Sf at the stand level.
Quantifying the Systems Engineering Need for Organizations
Authors: Gondhalekar Aditya , Krishnan Murali Padmanabhan , Vidap Akshay
Published: December 2016

This paper discusses the approaches to assess system complexity, and in turn the need for Systems Engineering (SE) implementation. The extent of SE implementation which is optimal for an organization is a function of multiple parameters. The effect of these parameters is discussed by taking few examples. The paper also proposes a methodology to measure the SE maturity of an organization which will help to monitor its progress in terms of direction and speed. The last section also discusses on the importance of change management in any such large scale process change and how to achieve it effectively. The authors believe that the availability of such comprehensive toolset for SE assessment will equally benefit the organizations which are yet to embark on the journey of systems engineering and the ones which are in the mid‐way and re‐evaluating their approach.
An Approach to Architect Digital Product Service Systems
Authors: Kumar Anand , Zope Nikhil , Lokku Doji Samson
Published: December 2016

The world at large is witnessing a massive pace of digitization wherein businesses and governments are adopting digital to connect to their customers in order to bring in a difference. While numerous architecture frameworks and service design patterns exist, a unified systematic approach for architecting digital product‐service systems does not exist. This paper is an attempt towards articulating an approach for architecting digital product‐service systems using value based theories and methodologies. This approach is based on the premise that digital product‐service systems should provide superior customer experience, increase customer delight and assert customer satisfaction and its architecture should address how these systems contribute to achieving customer delight, customer satisfaction and customer experience. In this paper, this approach is detailed out by appropriate processes and activities and its rationale discussed as part of the conceptual foundations.
Conceptual Study on Integration of Engine Health Monitoring (EHM) System with Integrated Vehicle Health Monitoring (IVHM) System
Authors: Jha B K , Ramachandra S , Srinivasa Murthy P N
Published: December 2016

An approach to upgrade existing control system and lean architecture principle is presented to optimize the system along with reduction of weight by understanding the physical system design, Engine Health Monitoring (EHM) system and data study from Integrated Vehicle Health Monitoring (IVHM) system (Aaseng n.d.). This paper brings out the integration of EHM sufficiency with IVHM system. Research effort to describe the hardware, software, algorithms and engine parameters required to monitor various events capturing, health and life management issues with IVHM. Here basic functionality will be performance monitoring, vibration monitoring, event monitoring (including stall, surge, over speed, flameout, over temperature, oil parameter and life monitoring) anti ice system with IVHM requirement of mission completion, safety and data protection.

A systematic SE approach and methodology with need and requirement is generated using DOORS software (INCOSE 2011). Full requirement capture with engine designer and aircraft designer (Harinarayana, Developing light combat aircraft: foresight as the guiding principle 2004) for integrating with IVHM (Philip A. Scandura October 30, 2005)has been studied and brought out to model the concept using Rhapsody software. Here various operational scenarios has been attempted to make the functional model. Functional model has been tested for various operational issues and a final configuration has been proposed to the designer (Jaw, Van and Mink 7 – 10 May 2007). This study has brought out a perspective work model for a designer and as a result of this the final product will be tested for integrating the EHM with IVHM
Model‐Based Systems Engineering for Aero Gas Turbine Engine Subsystems
Authors: Parthasarathi Hans , Ramachandra S , Srinivasamurthy PN
Published: December 2016

Enhanced complexity of modern systems often brings challenges in achieving performance, cost and time targets during development. Aero gas turbine engines are highly complex systems involving several modules and subsystems. Full Authority Digital Electronic Controller (FADEC) of aero engine is a very complex subsystem by itself, encompassing hardware and software to control the engine during all phases of operation. The current paper outlines an approach for system‐level design of FADEC using model‐based systems engineering (MBSE). FADEC is described comprehensively and consistently using SysML language. This includes defining the requirements of FADEC, importing them into SysML model and analysing these requirements, proposing multiple operations including the flow of control and data to fulfil these requirements, proposing a high‐level system architecture, modelling the interaction between subsystems, and verifying system performance through simulation. This model is expected to help individual design teams in development of the FADEC meeting the project goals.
Designing the Tokyo Motor Show 2.0 using System engineering
Authors: MORIUCHI NORIKO , SHIRASAKA SEIKO
Published: December 2016

In this paper, we apply a systems engineering approach to redesign the Tokyo Motor Show. Our results suggest two improvements. The first is to strengthen international publicity. The second is a change in the focus of the exhibitors to focus on automobile developments and inter‐industry cooperation, by developing relationships with companies from related industries. We must be able to demonstrate the clear re‐examinable steps that led to our conclusions, to convince the stakeholders and move everyone in the same direction. There is nothing that can contribute to this better than systems engineering. Systems engineering has not been previously applied to the Tokyo Motor Show, and we believe that it was successful in encouraging stakeholder participation and agreement, and even led to voluntary actions. The validity of our system design method was demonstrated by the success of the most recent Tokyo Motor Show, which was the biggest exhibition in Japan.
Self‐Evaluation Driven Improvement of Risk Management utilizing Risk Management Capability Maturity Model
Authors: Matsumoto Yuji , Shirasaka Seiko
Published: December 2016

In October 2015, the Ministry of Defense (MOD) in Japan established Acquisition, Technology & Logistics Agency (ATLA) in order to cope with various issues. Based on this change, we have conducted a preliminary study by investigating the risks encountered in the past several years, in the Research and Development (R&D) projects of MOD. Through this investigation, an endeavor was undertaken to find problems that could be categorized and classified across different types of equipment. Consequently, we proposed a new framework with a Risk Management Capability Maturity Model (RM‐CMM) that focuses on improving the personal ability for Risk Management. Through this approach, we also evaluated the effect of this framework by taking interviews to the main staff in ATLA.
Corporate Management Architectural Framework utilizing Maslow's Pyramid and Multi‐Layer Customer Value Chain Analysis
Authors: Shima Seiji , Shirasaka Seiko
Published: December 2016

The organization should satisfy both the corporate philosophy and employee's needs through corporate management. But there is no method to support how to combine them effectively. This paper proposes an architectural framework that can be used for managers and employees to evaluate and understand the corporate philosophy and stakeholder needs and to coordinate their differences. This corporate management framework consists of three axes; time (lifecycle) axis, spatial axis, and Maslow's hierarchy of needs axis. Each block, which is defined by three axes, has Customer Value Chain Analysis (CVCA). CVCA is a method for visualizing value exchanges among stakeholders in order to analyse existing social systems and designing new social systems. Each CVCA describes value exchanges, which are defined by the corresponding Maslow's needs. This framework identifies whether or not the corporate philosophy is able to reach the employees or customers, and whether or not the employees’ needs are conveyed to upper‐level management.
Improved RRS logical architecture using genetic algorithm
Authors: Shim Hyo‐sub , Jung Jae‐chun
Published: December 2016

An improved RRS (Reactor Regulating System) logic is implemented in this work using systems engineering approach along with GA (Genetic Algorithm) deemed as providing an optimal solution to a given system. The current system works desirably and has been contributed to the safe and stable NPP operation. However, during the ascent and decent section of the reactor power, the RRS output reveals a relatively high steady state error and the output also carries a considerable level of overshoot. In an attempt to consolidate conservatism and minimize the error, this research proposes applying genetic algorithm to RRS and suggests reconfiguring the system. Prior to the use of GA, reverse‐engineering is implemented to build a Simulink‐based RRS model and re‐engineering is followed to apply the GA and to produce a newly‐configured RRS generating an output that has a reduced steady state error and diminished overshoot level.
Systems Engineering Challenges in Simulation Based Aviation Training: A Few Insights
Authors: Yadav Jitender , Raizada Arvind
Published: December 2016

Simulation based training means using simulated environment to create training lessons, more focused towards interactive learning by simulating real world scenarios. Simulation based training has been used extensively in the field of aviation for many years. Flight simulator as a product is quite complex and all the lifecycle phases such as requirements, analysis, design, development, integration, verification and validation are not very well interconnected or centralized, which adds to complexity in producing an artefact in a complex system of systems environment. Moreover, the lack of integrated method for ensuring the traceability of requirements and customization, acquisition of knowledge and data, integration and changes in hardware, and the design and testing of software creates massive challenges for simulation companies developing system of systems products. The current paper provides insights into such challenges that typically exist in the Flight Simulation industry. Methods and techniques inspired from the Knowledge Based Engineering (KBE) and Model Based Systems Engineering (MBSE) aspects of Systems Engineering are proposed to evolve existing Systems Engineering practices for more efficient Requirements Management, Interface & Change propagation management and Hardware and Software integration solutions. Towards the end, results of an industry‐wide survey have been summarized, which was initiated to gather feedback from industry experts on various systems engineering practices challenges.
Service Scheduling Using an Agent Based Model with GIS Integration
Authors: Jayawant Yatin Anil , Joshi Nikhil , Vyawahare Sneha
Published: December 2016

In agricultural system, to efficiently utilize costly equipment (combine, tractor, etc.), owners rent them out to farmers. The service (harvesting, ploughing, etc.) has to be provided within a particular time window. So, it's important to optimize the scheduling of the service requests to maximize the revenue while reducing costs resulting from inefficient operations, e.g. field to field travel. In this context complexities like road traffic, field geometry make it difficult to apply formulations such as Travelling Salesman Problem (TSP) or Vehicle Routing Problem (VRP). This paper presents an Agent Based simulation model of the system. Geographic Information System (GIS) is employed to provide information about the context such as field coordinates and boundary, routes for field to field travel, etc. Agricultural equipment is an agent moving from field to field, and working on the field in predefined in‐field path. Schedules for a day are compared using simulation model on basis of total profit.