bluuebunny/crossref_metadata_2025 huggingface dataset:
An improved quantitative recurrence analysis using artificial intelligence based image processing applied to sensor measurements
Authors: Jiang Yu , Zhu Hua , Malekian Reza , Ding Cong
Published: October 2018

Artificial intelligence has been widely used in reliability analysis for industrial equipment. The gear transmission systems are the most common components in mining machines. A simple fault in the gearbox may break down the mining machine for couple of days, resulting in enormous economic loss. Condition monitoring techniques can prevent unscheduled failures in the gear transmission systems. Although many techniques have been developed for gearbox fault diagnosis, one challenging task that the condition monitoring still faces is how to extract quantitative fault indicators. To this end, this paper proposes an improved quantitative recurrence analysis (IQRA) based on artificial intelligence theory. This new method takes advantages of chaos and fractal properties of the gear transmission system to obtain the recurrence of the system. The characteristics of different gear faults can be observed through the visualization of recurrence. Quantitative parameters can be then calculated from the recurrence plots. Experimental data acquired from a gearbox under variable working conditions was used to evaluate the proposed method. The analysis results demonstrate that the proposed IQRA method is able to effectively quantify different the gear faults.
Research on information security and privacy protection model based on consumer behavior in big data environment
Authors: Li Yuxue , Song Lijun , Zeng Yucheng
Published: October 2018

In the big data era, information security is becoming more and more important. The recent scandal of the data privacy on Facebook sounded the warning bell for us. Based on the utility theory, this paper proposes that the disclosure behavior of consumer personal information is mainly influenced by two factors, which are perceived risk and perceived benefit, respectively. When consumers make decisions, they weigh the risks and benefits. If the income is greater than the risk, the consumer is willing to provide the information on the website and vice versa. This paper analyzes the serious threats to the safety and privacy of commercial big data and proposes a multi‐level security protection theoretical model for business information security and privacy protection from the perspective of business big data security. The security functions and core technologies of each layer are described in detail, which provide a useful and in‐depth theoretical exploration for practical engineering. Finally, based on the privacy protection of large data and the principle of RBAC, a model of user privacy information security system is proposed.
Implementation of FIR filter using reversible modified carry select adder
Authors: Arun Sekar R. , Sasipriya S.
Published: October 2018

Any arithmetic operation can be performed using the method of Reversible process which allows minimum arithmetic execution. An essential scenario for achieving this condition is the arithmetic design connections should be of one to one. The Finite Impulse Response (FIR) Filter is that the indispensable part to design digital signal processing framework. The adders and multipliers assume an urgent part in FIR filter while thinking about the power. In this paper, an effective FIR filter is actualized utilizing minimum power reversible modified SQRT carry select adder utilizing Brent Kung adder and D latch. Reversible logic has developed as another outline method to the customary rationale, prompting low power consumption and lesser circuit region. For accomplishing low power, reversible rationale method of task is implemented inside the style. The proposed configuration accomplishes three‐overlap benefits in terms of Area‐power‐delay. From the combination comes about, the newly portrayed minimum power FIR filter configuration shows low power of 294641.397 nW when contrasted with regular outline. Proposed FIR Filter is reenacted by utilizing rhythm device as cadence tool.
Bichromophoric Sensors for Ratiometric Measurements of Molecular Microenvironments through the Interplay of Charge Transfer and Energy Transfer Channels
Authors: Arroyo‐Pieck Andres , Araiza‐Olivera Daniela , Peon Jorge
Published: October 2018

A new molecular architecture was designed to amplify the sensitivity of bichromophoric probes, in which two sequential kinetic competitions of photophysical channels were used to define the emission yield of the lower energy chromophore. Additionally, the emission from both chromophores can be used for ratiometric measurements, which are concentration independent. Two sensors were synthesized to demonstrate the concept, coupling a boron‐dipyrromethene (BODIPY) dye and a cyanine dye. Both the energy transfer from the BODIPY to the cyanine and the cyanine radiative channel compete with a charge transfer state formation, giving the cyanine emission intensity a twofold dependence on polarity. This was confirmed with steady state and time‐resolved spectroscopies. Also, the large spectral gap between the two emissions (approx. 280 nm) makes the ratiometric measurements crosstalk‐free. The use of the sensors in live cells was demonstrated through the staining and imaging of SK‐LU‐1 lung cells under normal and apoptotic conditions.
Controlled Decoration of Divalent Nickel onto CdS/CdSe Core/Shell Quantum Dots to Boost Visible‐Light‐Induced Hydrogen Generation in Water
Authors: Wang Ping , Li Chuanping , Wang Minmin , Jin Yongdong
Published: October 2018

The search for a low‐cost, noble‐metal‐free cocatalyst to replace expensive Pt for hydrogen (H2) photogeneration in water has become a hot research topic, and among these, Ni‐based cocatalysts are promising and highly desired. Developing new strategies and protocols to obtain Ni‐based cocatalysts with high activity is therefore vitally important. Herein, we develop a new method to efficiently decorate divalent Ni onto pre‐synthesized CdS/CdSe core/shell quantum dots (QDs). The concentration of Ni on the QDs can be easily tuned by varying the amount of the Ni precursor introduced during the synthesis. Further analyses reveal that Ni2+ can be strongly decorated onto QDs. Impressively, the Ni‐decorated QDs displayed a significantly enhanced H2 photogeneration performance as compared to the two components prepared separately. Through the optimization of the Ni concentration on the QDs, the turnover frequency (TOF) with respect to Ni and quantum yield (
) at 520 nm for H2 evolution from water could reach 322 h−1 and 12.3 %, respectively. A possible mechanism has also been proposed and discussed in detail.
Neocortical Microdissection at Columnar and Laminar Resolution for Molecular Interrogation
Authors: Kole Koen , Celikel Tansu
Published: October 2018

The heterogeneous organization of the mammalian neocortex poses a challenge for elucidating the molecular mechanisms underlying its physiological processes. Although high‐throughput molecular methods are increasingly deployed in neuroscience, their anatomical specificity is often lacking. In this unit, we introduce a targeted microdissection technique that enables extraction of high‐quality RNA and proteins at high anatomical resolution from acutely prepared brain slices. We exemplify its utility by isolating single cortical columns and laminae from the mouse primary somatosensory (barrel) cortex. Tissues can be isolated from living slices in minutes, and the extracted RNA and protein are of sufficient quantity and quality to be used for RNA sequencing and mass spectrometry. This technique will help to increase the anatomical specificity of molecular studies of the neocortex, and the brain in general, as it is applicable to any brain structure that can be identified using optical landmarks in living slices. © 2018 by John Wiley & Sons, Inc.
Pancreatic mixed acinar‐neuroendocrine carcinoma, a unique diagnostic challenge on FNA cytology: A small series of two cases with literature review
Authors: Strait Alexander M. , Sharma Ninu , Tsapakos Michael J. , Vaickus Louis J. , Liu Xiaoying
Published: October 2018

Mixed acinar‐neuroendocrine carcinoma (MANEC) of the pancreas is a rare tumor. We present two cases of MANEC diagnosed on endoscopic ultrasound (EUS) guided fine‐needle aspiration (FNA). The first patient is a 33‐year‐old male who had a 3.6 cm mass in the uncinate process and liver metastasis. The second patient is a 66‐year‐old male with a 10 cm mass in the pancreatic tail. The FNA smears from both cases were hypercellular with neoplastic cells in loosely cohesive clusters and many naked nuclei. In both cases, the tumor cells were positive for CKAE1/3, synaptophysin, chromogranin, and trypsin by immunohistochemistry. Final diagnoses of MANEC were rendered based on cytological features and immunohistochemical profiles. To date, 44 cases of MANEC have been reported in the English literature, only three of which were diagnosed on cytopathology specimens before surgical resection. Our report adds two more cases diagnosed on cytopathology alone. Herein, we discuss the various cytomorphologic and clinical features of MANEC and present a brief review of the literature. Diagn. Cytopathol.
Clinical performance of the Cobas 4800 HPV test and the Aptima HPV assay in the management of women referred to colposcopy with minor cytological abnormalities
Authors: Tewari Prerna , White Christine , Kelly Lynne , Pilkington Loretto , Keegan Helen , D'Arcy Tom , Toole Sharon O’ , Sharp Linda , O'Leary John J , Martin Cara M
Published: October 2018

Background

The aim of this study was to evaluate the clinical performance of the Cobas 4800 HPV test and the Aptima HPV assay for the detection of CIN2+ disease in women referred to colposcopy with minor cytological abnormalities.

Methods

ThinPrep liquid‐based cytology samples were collected from 562 women referred to colposcopy with minor cytological abnormalities. HPV testing by both assays was performed on these samples. Clinical performances for detection of histologically diagnosed CIN2+ and CIN3+ were calculated.

Results

HPV prevalence by the Cobas 4800 HPV test was 58.2% and 53.0% women tested positive with the Aptima HPV assay in the entire study population. The Aptima HPV assay and the Cobas 4800 HPV test displayed equivalent sensitivity of 90.2% (95%CI, 83.4‐94.9) for the detection of CIN2+ disease. However, the Aptima HPV assay displayed greater specificity of 61.0% (95% CI, 54.0‐68.0) when compared to the Cobas 4800 HPV test 53.0% (95% CI, 46.0‐60.0), and this was significantly higher (P = .0004). The Aptima HPV assay also displayed higher specificity 76.5% (95% CI, 66.0‐85.0) in the ASCUS category in comparison to the Cobas 4800 HPV test 65.0% (95% 54.0‐75.0) which was statistically significant (P = .004).

Conclusions

Both the tests displayed similar sensitivity. However, the Aptima HPV assay was significantly more specific in the identification of women with CIN2+ disease in a colposcopy referral population.
Adenoid cystic carcinoma: A study of 19 cases of salivary and extra‐salivary tumours diagnosed by fine needle aspiration cytology
Authors: Kundu Reetu , Handa Uma , Punia Rajpal Singh , Dass Arjun , Saini Varinder
Published: October 2018

Background

Adenoid cystic carcinoma (ACC) arises at sites where seromucinous or sweat gland epithelium is present and commonly affects the salivary glands. Rarely it can occur at extra‐salivary locations.

Methods

A retrospective analysis of 19 cases of ACC diagnosed on fine needle aspiration cytology (FNAC) over a period of 15 y (2002‐2016) was made.

Results

Of 19 total cases, there were 10 salivary and 9 extra‐salivary ACCs. Extra‐salivary tumours were seen in 2 cases each in trachea, tongue and in one case each in bronchus, lung, subcutaneous tissue, maxillary antrum, and external auditory canal. The age ranged from 14‐80 y (mean: 49.5 y), 10 patients were male and 9 were female. The smears were highly cellular in 11 cases, moderately cellular in 5 cases while 3 cases were paucicellular. Multilayered dense clusters, tissue fragments, dispersed cells and cup‐shaped fragments were seen. Relatively uniform cells with high nuclear: cytoplasmic ratio, hyperchromatic nuclei, irregular margins, and nuclear moulding were observed. Variable sized hyaline globules, finger‐like hyaline material, hyaline cylinders, and hyaline cords were noted. The cytologic diagnosis of ACC was rendered in 13 cases while in 6 cases it was one of the differential diagnosis including monomorphic adenoma, membranous variant of basal cell adenoma, adnexal tumour, polymorphous adenocarcinoma, and pleomorphic adenoma (PA).

Conclusions

Cytologists must be aware of varied locations where ACC can occur. A diagnosis of ACC must not rely exclusively on the occurrence of hyaline globules but necessitates a close scrutiny of cellular and nuclear features to avoid diagnostic pitfalls.
Combined detection of the ActRII‐Fc fusion proteins Sotatercept (ActRIIA‐Fc) and Luspatercept (modified ActRIIB‐Fc) in serum by means of immunoaffinity purification, tryptic digestion, and LC‐MS/MS
Authors: Walpurgis Katja , Thomas Andreas , Lange Tobias , Reichel Christian , Geyer Hans , Thevis Mario
Published: October 2018

Therapeutic proteins are a continuously growing class of pharmaceuticals and comprise several drug candidates with potential performance‐enhancing properties. In particular, activin receptor competitors, such as the ActRII‐Fc fusion proteins Sotatercept (ActRIIA‐Fc) and Luspatercept (modified ActRIIB‐Fc), have the potential for being misused as doping agents in sports as they were found to inhibit negative regulators of late‐stage erythropoiesis.

Within this study, ammonium sulfate precipitation, immunoaffinity purification, tryptic digestion, and liquid chromatography–tandem mass spectrometry (LC–MS/MS) were employed to develop an assay for the combined detection of Sotatercept and Luspatercept in doping control serum samples. The assay was optimized, comprehensively characterized, and found to be fit‐for‐purpose for application to sports drug testing. It complements existing tests for ActRII‐Fc fusion proteins and expands the range of available detection methods for novel protein therapeutics.
Predicted 2100 climate scenarios affects growth and skeletal development of tambaqui (Colossoma macropomum) larvae
Authors: Lopes Ivã Guidini , Araújo‐Dairiki Thyssia Bomfim , Kojima Juliana Tomomi , Val Adalberto Luis , Portella Maria Célia
Published: October 2018

Climate changes driven by greenhouse gas emissions have been occurring in an accelerated degree, affecting environmental dynamics and living beings. Among all affected biomes, the Amazon is particularly subjected to adverse impacts, such as temperature rises and water acidification. This study aimed to evaluate the impacts of predicted climate change on initial growth and development of an important Amazonian food fish, the tambaqui. We analyzed growth performance, and monitored the initial osteogenic process and the emergence of skeletal anomalies, when larvae were exposed to three climate change scenarios: mild (B1, increase of 1.8°C, 200 ppm of CO2); moderate (A1B, 2.8°C, 400 ppm of CO2); and drastic (A2, 3.4°C, 850 ppm of CO2), in addition to a control room that simulated the current climatic conditions of a pristine tropical forest. The exposure to climate change scenarios (B1, A1B, and A2) resulted in low survival, especially for the animals exposed to A2, (24.7 ± 1.0%). Zootechnical performance under the B1 and A1B scenarios was higher when compared to current and A2, except for condition factor, which was higher in current (2.64 ± 0.09) and A1B (2.41 ± 0.14) scenarios. However, skeletal analysis revealed higher incidences of abnormalities in larvae exposed to A1B (34.82%) and A2 (39.91%) scenarios when compared to current (15.38%). Furthermore, the bone‐staining process revealed that after 16 days posthatch (7.8 ± 0.01 mm total length), skeletal structures were still cartilaginous, showing no mineralization in all scenarios. We concluded that tambaqui larvae are well‐adapted to high temperatures and may survive mild climate change. However, facing more severe climate conditions, its initial development may be compromised, resulting in high mortality rates and increased incidence of skeletal anomalies, giving evidence that global climate change will hamper tambaqui larvae growth and skeletal ontogeny.
Invasive alien shredders clear up invasive alien leaf litter
Authors: Doherty‐Bone Thomas M. , Dunn Alison M. , Brittain Joel , Brown Lee Eric
Published: October 2018

Biological invasions have the potential to alter ecosystem processes profoundly, but invaders are rarely found alone. Interactions between different invasive alien species, and their cumulative impact on ecosystem functioning, have led to hypotheses of invasion meltdown whereby effects become additive leading to further ecosystem stress. Invasive riparian plants (e.g., Rhododendron ponticum) deposit leaf litter in freshwaters, which may be unconsumed by indigenous species, potentially affecting habitat heterogeneity and flow of energy to the food web. However, invasive alien decapod crustaceans are effective consumers of leaf litter, and it was hypothesized that they would also consume inputs of invasive riparian leaf litter. This study shows that invasive alien signal crayfish (Pacifastacus leniusculus) and Chinese mitten crab (Eriocheir sinensis) effectively break down different types of leaf litter, including invasive alien R. ponticum, at higher rates than indigenous white‐clawed crayfish. Secondary products were more varied, with more fine particulate organic matter generated for the less palatable alien leaf litter species. Leaf species caused different changes in body mass of decapods but effects were heterogeneous by leaf and decapod: P. leniusculus showed lower mass loss when consuming R. ponticum while E. sinensis lost mass when consuming A. pseudoplatanus. Impacts of riparian invasions on detritus accumulation in freshwaters are thus potentially buffered by invasive alien decapods, illustrating a need for a more detailed consideration of both positive and negative interspecific feedbacks during biological invasions.
Sensory deficiencies affect resource selection and associational effects at two spatial scales
Authors: Verschut Thomas A. , Inouye Brian D. , Hambäck Peter A.
Published: October 2018

Many insect species have limited sensory abilities and may not be able to perceive the quality of different resource types while approaching patchily distributed resources. These restrictions may lead to differences in selection rates between separate patches and between different resource types within a patch, which may have consequences for associational effects between resources. In this study, we used an oviposition assay containing different frequencies of apple and banana substrates divided over two patches to compare resource selection rates of wild‐type Drosophila melanogaster at the between‐ and within‐patch scales. Next, we compared the wild‐type behavior with that of the olfactory‐deficient strain Orco2 and the gustatory‐deficient strain PoxnΔM22‐B5 and found comparable responses to patch heterogeneity and similarly strong selection rates for apple at both scales for the wild‐type and olfactory‐deficient flies. Their oviposition behavior translated into associational susceptibility for apple and associational resistance for banana. The gustatory‐deficient flies, on the other hand, no longer had a strong selection rate for apple, strongly differed in between‐ and within‐patch selection rates from the wild‐type flies, and caused no associational effects between the resources. Our study suggests that differences in sensory capabilities can affect resource selection at different search behavior scales in different ways and in turn underlie associational effects between resources at different spatial scales.
Re‐Evaluating the Transition State for Reactions in Solution
Authors: Garcia‐Meseguer Rafael , Carpenter Barry K.
Published: October 2018

In this microreview we revisit the early work in the development of Transition State Theory, paying particular attention to the idea of a dividing surface between reactants and products. The correct location of this surface is defined by the requirement that trajectories not recross it. When that condition is satisfied, the true transition state for the reaction has been found. It is commonly assumed for solution‐phase reactions that if the potential energy terms describing solvent‐solute interactions are small, the true transition state will occur at a geometry close to that for the solute in vacuo. However, we emphasize that when motion of solvent molecules occurs on a time scale similar or longer than that for structural changes in the reacting solute the true transition state may be at an entirely different geometry, and that there is an important inertial component to this phenomenon, which cannot be described on any potential energy surface. We review theories, particularly Grote‐Hynes theory, which have corrected the Transition State Theory rate constant for effects of this kind by computing a reduced transmission coefficient. However, we argue that searching for a true dividing surface with near unit transmission coefficient may sometimes be necessary, especially for the common situation in which the rate‐determining formation of a reactive intermediate is followed by the branching of that intermediate to several products.
Reagent Controlled Stereoselective Assembly of α‐(1,3)‐Glucans
Authors: Wang Liming , Overkleeft Herman S. , van der Marel Gijsbert A. , Codée Jeroen D. C.
Published: October 2018

Pre‐activation based glycosylations have become a very powerful tool in the assembly of oligosaccharides and the use of nucleophilic additives allows for the in situ generation of reactive intermediates with tailored reactivity. We here use a glycosylation strategy that is based on the use of per‐benzylated imidate building blocks for the fully stereoselective construction of a spacer equipped Aspergillus fumigatus α‐1,3‐octaglucan. We have used the trimethylsilyl iodide (TMSI)‐triphenylphosphine oxide (Ph3P=O) for the stereoselective installation of an azidopropanol spacer and triflic acid (TfOH)‐dimethyl formamide (DMF) enabled glycosylations for the coupling reactions with the secondary glucosyl C‐3‐alcohols. An operationally simple in situ activation coupling procedure is introduced and used for the final glycosylation events towards the octasaccharide.
α‐β Unsaturated Acylsilanes as Surrogates of Acrolein for Morita–Baylis–Hillman Reactions
Authors: Marri Gangababu , Justaud Frédéric , Das Saibal , Grée René
Published: October 2018

α‐β‐unsaturated acylsilanes are excellent substrates for Morita–Baylis–Hillman (MBH) reactions, affording the expected adducts in good to excellent yields. In these derivatives, as well as the corresponding acetates, the acylsilanes can be smoothly transformed into aldehydes by irradiation at 365 nm in acetone or THF/water mixtures. Therefore α‐β unsaturated acylsilanes are very useful surrogates for acrolein in MBH reactions, allowing easy preparation of simple and highly functionalized new building blocks for synthetic applications.
Recyclable Organocatalyst for One‐Pot Asymmetric Synthesis of Dihydrofuranone and Tetrahydropyranone Spirooxindoles
Authors: Liu Miao , Zhang Xiaofeng , Huang Xin , Dhawan Gagan , Evans Jason , Kaur Manpreet , Jasinski Jerry P. , Zhang Wei
Published: October 2018

Recyclable fluorous bifunctional organocatalyst‐promoted one‐pot reactions of 1,3‐dicarbonyl compounds, olefinic oxindoles, and formaldehyde through a Michael/aldol/cyclization sequence afford asymmetric dihydrofuranone and tetrahydropyranone spirooxindoles in 39–82 % yields with 3:1 to 6:1 dr and up to 99 % ee for the major diastereomers.
Micronuclei frequency in urothelial cells of bladder cancer patients, as a biomarker of prognosis
Authors: Espinoza Felicidad , Cecchini Lluis , Morote Juan , Marcos Ricard , Pastor Susana
Published: October 2018

It has been suggested that the frequency of micronuclei (MN) in defoliated urothelial cells could be used as a biomarker for both the potential risk of bladder cancer (BC) and its progression. To prove this we have carried out a large study evaluating the MN frequency in a group of 383 hospital patients submitted to cystoscopy. From them, 77 were negative in their first cystoscopy, and were considered as a reference group; 79 were positive and were classified as patients with tumor; and 227 with previous bladder cancer submitted to follow‐up monitoring were negative and classified as BC patients without tumor. Vesical washes were processed and the obtained cells were placed onto microscope slides for further scoring. To minimize scoring misinterpretations, cells were stained with DAPI, and observed in a fluorescence microscope. Results indicated that patients with BC presented higher incidence of MN than controls (18.29 ± 10.04 vs. 14.40 ± 8.49, P = 0.010, respectively). When individuals with BC were classified depending on whether the BC was a primary or a recidivated tumor, those patients with recurrent BC presented a higher frequency of MN than those where BC was detected for the first time (19.22 ± 9.59 vs. 16.60 ± 10.78, respectively); nevertheless, this increase did not reach statistical significance. Finally, a positive and significant correlation was observed between MN frequency and the degree of the tumor (P = 0.038). All this together would confirm the potentiality of the MN frequency in urothelial defoliated cells assay to be used, at least, in the follow‐up and surveillance of BC patients. Environ. Mol. Mutagen. 60: 168–173, 2019. © 2018 Wiley Periodicals, Inc.
Evaluation of volumetric mass transfer coefficient in a stirred tank bioreactor using response surface methodology
Authors: Lone Sohail Rasool , Kumar Vimal , Seay Jeffrey R. , Englert Derek L. , Hwang Hyun Tae
Published: October 2018

Stirred tank reactors are most commonly used both in the laboratory and industry. Particularly for bioreactors, the volumetric mass transfer coefficient (kLa) of oxygen is used as one of the important parameters for determining efficiencies of reactors and for successful scale‐up. A number of correlation methods have been previously developed to predict the kLa in stirred tank bioreactors. In the present work, we propose a new correlation for kLa based on a mathematical and statistical approach using Response Surface Methodology (RSM) based on Box‐Behnken design of experiments. This correlation includes the effect of various parameters such as impeller agitation rate (50–800 rpm), air flow rate (0.5–3.5 L/min), and temperature (10−40°C) for different impeller configurations (single and dual Rushton, pitched blade, and mixed turbines). It was observed that the kLa increases with increasing the parameters for all the impeller configurations studied. Among the operating parameters, the most significant variable impacting kLa was found to be agitation rate, followed by air flow rate, and temperature. The models developed using RSM successfully interpreted the experimental kLa and were further validated under other operating conditions. It was also found that, compared with conventional power‐law models, the RSM approach enables a more efficient correlation procedure and formulates simplified models with comparably high accuracy, suggesting that the RSM is promising for evaluation of oxygen mass transfer in stirred tank bioreactors. © 2018 American Institute of Chemical Engineers Environ Prog, 38: 387–401, 2019
Repeatability assessment of large‐scale fire experiment involving water spray system in a forced ventilated compartment
Authors: Pretrel Hugues , Querre Philippe
Published: October 2018

Repeatability of large‐scale fire test remains a key issue for code validation process. Most of the large‐scale experimental studies are based on single experiment, and the influence of repeatability is barely considered in the test analysis process. Due to the substantial cost, reproducing several trials of a given large‐scale fire scenario is not often performed. In the framework of the OECD PRISME 2 project, this topic has been identified, and a specific large‐scale fire test has been reproduced twice in the final goal of assessing the level of repeatability. The scenario is an oil pool fire in an enclosure mechanically ventilated and during which a water spray system is activated. The analysis consists in identifying a set of variables on which metrics is applied in order to quantify the levels of discrepancy between the two tests. A set of 27 variables are selected such as they characterize the whole fire scenario (the fire source, the gas phase, walls, the ventilation network, and the water spray system). The analysis points out that the repeatability levels are different depending on the type of variable. The gas temperature or species concentrations are more repeatable than gas pressure or air flow rate. In addition, a new methodology is proposed in comparing, for each physical variable, the variations due to repeatability (ie, the precision) and the uncertainty. A new metric is proposed helping modelers in code validation process.
Supporting the development of CCUS in the UK
Authors: Cozier Muriel
Published: October 2018

During the summer break it can be useful to know what is on the ‘post holiday’ agenda so that one can move into the final part of the year with a sense of purpose. A report from the UK Government, published in the summer, makes it clear that if the UK is to play a role where carbon capture is concerned then there really is no time to waste. Deployment of capacity is at a now or never stage. GHGS&T's Muriel Cozier looks at the main findings from the report and summarises reaction. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Mashhad komatiitic rocks in NE Iran: Origin and implications for the evolution of the Paleo‐Tethyan Ocean
Authors: Li Xingbo , Miao Laicheng , Zhang Fochin , Ghasemi Habibollah , Zhu Shuaiming , Yang Shunhu
Published: October 2018

Mashhad ultramafic volcanic rocks, located within the Paleo‐Tethys suture zone in the north‐eastern Iran, are composed mainly of komatiitic rocks with interbedded picrobasalts. The Mashhad komatiitic rocks are characterized by low Al2O3/TiO2 ratios (9.85–11.44) and depleted HREE patterns with slightly high (Gd/Yb)N ratios (1.48–1.74), similar to those of the Al‐depleted Barberton‐type komatiites. These rocks have ƐNd (t) values ranging from +9.0 to +10.4 and initial 87Sr/86Sr ratios ranging from 0.7039 to 0.7072, indicating they were derived from a depleted mantle source. They have a total 187Re/188Os and 187Os/188Os ratios ranging from 0.278 to 72.254 and from 0.12741 to 0.14012, respectively, and display consistent PGE patterns similar to that of the primitive mantle. The picrobasalts have high contents of SiO2 (45.08–48.87 wt.%), MgO (7.28–11.51 wt.%), nearly flat REE pattern, and ƐNd (t) values ranging from +6.5 to +7.9 and initial 87Sr/86Sr ratios focused on 0.7040 and 0.7070, illustrating that they were derived from a relatively enriched source compared with the komatiitic rocks. The thermobarometric calculations suggest that the Mashhad komatiitic rocks were generated by high degree partial melting between 20% and 30% at 1,604–1,681°C and 3.20–4.65 Gpa, essentially consistent with those of the Hawaiian mantle plume (1,500–1,600°C). These new data demonstrate that the Mashhad komatiitic rocks are of a mantle plume origin, which might have caused the opening of the Paleo‐Tethyan Ocean, and the mantle plume was likely located beneath or nearby the mid‐ridge of the Paleo‐Tethyan Ocean when the Mashhad komatiitic lava erupted, a scenario resembling the present Iceland and Ontong Java.
Sedimentary record of the collision of theNorth and South China cratons: New insights from theWestern Hubei Trough
Authors: Zheng Binsong , Mou Chuanlong , Wang Xiuping , Xiao Zhaohui , Chen Yao
Published: October 2018

Collision of the South and North China cratons was an important event in eastern Asia and contributed to the formation of the Central Orogenic Belt in China. While the timing of collision has been documented to the west (at the West Qinling Belt) and east (at the Dabie Mountains), little is known regarding the timing of collision in the middle sector of the collision zone. We present field, sedimentological, mineralogical, and geochemical data from the Late Permian Dalong Formation and Early Triassic Daye Formation (lower part) in the Western Hubei Trough which is located in the northern South China Craton. Based on sedimentary facies, SEM, and XRD data, we suggest that the Dalong Formation, which is mainly composed of chert and carbonaceous mudstone, was deposited in a deep shelf, and the lower part of the Daye Formation, which is mainly composed of mudstone and carbonate rocks, was deposited in a shallow shelf. Geochemical data imply that the source of the mudstone in these formations was the Qinling active continental margin of the North China Craton. These data support a scenario that the South and North China cratons may have collided by the end of the Late Wuchiapingian of Late Permian time at the southern margin of the East Qinling Belt. The collision event may have led to the formation of the Western Hubei Trough.
Conodont and graptolite biostratigraphy of the lower–middle Darriwilian (Middle Ordovician), Cerro Viejo of Huaco, Argentine Precordillera
Authors: Mango Matías J. , Ortega Gladys , Albanesi Guillermo L.
Published: October 2018

The distribution of conodonts and graptolites from the upper 13 m of the San Juan Formation and the first metre of the lower member of the Los Azules Formation, Los Gatos and Amarilla creeks, Cerro Viejo of Huaco, Central Precordillera from San Juan, Argentina, is studied. The conodonts from the top stratum of the San Juan Formation at the Los Gatos creek section correspond to the Lenodus variabilis Zone, whereas at the Amarilla creek section, they represent the Yangtzeplacognathus crassus Zone, verifying the diachronous top surface of the San Juan Formation. In the lower member of the Los Azules Formation, 81 conodont elements are recorded from bedding plane surfaces, where the presence of Paroistodus horridus horridus (Barnes & Poplawski) allows to recognize the Y. crassus Zone. On the basis of the graptolite and conodont association, we estimate that the top of the San Juan Formation at Los Gatos creek corresponds to the Levisograptus dentatus Zone, L. dentatus Subzone, whereas at the Amarilla creek, the Arienigraptus angulatus Subzone of the same zone is represented. The presence of the graptolite A. angulatus (Mu) in the lower member of the Los Azules Formation in both sections indicates the L. dentatus Zone (A. angulatus Subzone). The records of graptolites in limestones of the San Juan Formation and of abundant conodonts on bedding plane surfaces of the lower member of the Los Azules Formation are important, taking into account the type of facies where they occur. The conodont records in the referred type of preservation are scarce in the Ordovician, which allows for a more precise biostratigraphic correlation between conodont and graptolite biostratigraphy.
Control of Altyn Tagh Fault on the Jurassic shale gas in Western Qaidam Basin, north‐west China
Authors: Guo Tianxu , Ren Shoumai , Liu Yongjiang , Wang Shengjian , Zhou Zhi , Chen Xianglin
Published: October 2018

The shale of the Middle Jurassic Dameigou Formation in Western Qaidam Basin was developed with large thickness, high organic carbon content, and moderate thermal maturity, which means that it has the basic geological conditions for shale gas generation and accumulation are favourable. According to the comprehensive analysis, the Altyn Tagh Fault (ATF) did not uplift in the early–middle Jurassic period, and the Middle Jurassic stable lacustrine sedimentary strata were not affected by the strike‐slip fault, which provided abundant material basis for shale gas generation. Due to the effect of later ATF left‐lateral strike‐slip activity, and the North–South tectonic extrusion movement, the abnormal overpressure derived from Dameigou Formation was formed, which can provide good preservation conditions for shale gas. The interaction between ATF activity and shale deposition jointly controlled the formation and preservation of shale gas in Western Qaidam Basin.
DEAD Box Protein 5 Inhibits Liver Tumorigenesis by Stimulating Autophagy via Interaction with p62/SQSTM1
Authors: Zhang Hao , Zhang Yanqiu , Zhu Xiaoyun , Chen Chen , Zhang Chao , Xia Yuanzheng , Zhao Yucheng , Andrisani Ourania , Kong Lingyi
Published: October 2018

In hepatocellular carcinoma (HCC), dysregulated expression of DDX5 (DEAD box protein 5) and impaired autophagy have been reported separately. However, the relationship between them has not been explored. Here we present evidence to show that, by interacting with autophagic receptor p62, DDX5 promotes autophagy and suppresses tumorigenesis. DDX5 inversely correlated with p62/sequestosome 1 (SQSTM1) expression in hepatitis B virus (HBV)‐associated and non‐HBV‐associated HCCs. Patients with low DDX5 expression showed poor prognosis after tumor resection. We found that DDX5 overexpression induced, while DDX5 knockdown attenuated, autophagic flux in HepG2 and Huh7 cells. DDX5 promoted p62 degradation and markedly reduced the half‐life of p62. Moreover, DDX5 overexpression dramatically reduced, while DDX5 knockdown promoted, cancer cell growth and tumorigenesis in vitro and in
vivo. We found that DDX5 bound to p62 and interfered with p62/TRAF6 (tumor necrosis factor receptor–associated factor 6) interaction. Further findings revealed that the N‐terminal domain of DDX5, involved in the interaction with p62, was sufficient to induce autophagy independent of its RNA binding and helicase activity. DDX5 overexpression decreased p62/TRAF6‐mediated lysine 63‐linked ubiquitination of mammalian target of rapamycin (mTOR) and subsequently inhibited the mTOR signaling pathway. Knockdown of TRAF6 blocked DDX5‐induced autophagy. Furthermore, we showed that miR‐17‐5p downregulated DDX5 and impaired autophagy. Inhibition of miR‐17‐5p promoted autophagic flux and suppressed tumor growth in HCC xenograft models. Conclusion: Our findings define a noncanonical pathway that links miR‐17‐5p, DDX5, p62/TRAF6, autophagy, and HCC. These findings open an avenue for the treatment of HCC.
Agricultural Irrigation Pricing: Review of Theories and Practices
Authors: Al‐Rubaye Shayma
Published: October 2018

Water pricing and substitution of the costs of irrigation investment operation and maintenance have been controversial issues for a long time. The small charges for irrigation water are addressed, and additionally, the low level of farmers who pay the costs. In a few schemes, expense accumulation rates are close to zero, notwithstanding when water charges are well beneath the cost of operation and maintenance. Water prices are charged to farmers for two essential objectives. The first is to cover the operation and maintenance estimation with the goal that the investment is fiscally practical. Much of the time, costs will likewise need to incorporate a price for the cost of capital required to develop the scheme. This charge for capital is fundamental for future irrigation system investment. The second reason involves estimation to help farmers utilize less water per unit of yield or to deliver more prominent net economic returns per unit of water, or both.

This paper summarizes irrigation water pricing methodologies and the related academic literature. Three water pricing methods are presented: volumetric, non‐volumetric and water market. For each methodology, potential impacts on water usage are postulated and supported by a summary of the academic literature. In addition, a summarized case study of irrigation water‐pricing practices and effects in Iraq is presented. © 2018 John Wiley & Sons, Ltd.
Reduction of OH vibrational frequencies in amino acids by positron attachment
Authors: Sugiura Yutaro , Suzuki Kento , Takayanagi Toshiyuki , Kita Yukiumi , Tachikawa Masanori
Published: October 2018

Positron affinities have been calculated for five amino acid molecules (asparagine, cysteine, glycine, proline, and serine) with the intramolecular COOH···NH2 hydrogen‐bonded motif as a function of the OH distance using two computational methods, namely multicomponent molecular orbital theory and pseudopotential model. Since the elongation of the carboxylic OH bond leads to the formation of highly polarized zwitterionic amino acid with COO−···NH3+ structure, the calculated positron affinity significantly increases with the elongation of the OH distance. This indicates that the OH bond strength is significantly weakened by positron attachment. We discuss the reduction of OH vibrational frequencies using effective one‐dimensional potential energy curves for neutral and positron‐attached amino acid molecules. © 2018 Wiley Periodicals, Inc.
Calculations on 1,8‐naphthoquinone predict that the ground state of this diradical is a singlet
Authors: Hrovat David A. , Wang Xue‐Bin , Borden Weston Thatcher
Published: October 2018

(12/12)CASPT2, (16/14)CASPT2, B3LYP, and CCSD(T) calculations have been carried out on 1,8‐Naphthoquinone (1,8‐NQ), to predict the low‐lying electronic states and their relative energies in this non‐Kekulé quinone diradical. CASPT2 predicts a 1A1 ground state, with three other electronic states—3B2, 3B1, and 1B1—within about 10 kcal/mol of the ground state in energy. On the basis of the results of these calculations, it is predicted that NIPES experiments on 1,8‐NQ
•– will find that 1,8‐NQ is a diradical with a singlet ground state. © 2018 Wiley Periodicals, Inc.
Systematic High‐Accuracy Prediction of Electron Affinities for Biological Quinones
Authors: Schulz Christine E. , Dutta Achintya Kumar , Izsák Róbert , Pantazis Dimitrios A.
Published: October 2018

Quinones play vital roles as electron carriers in fundamental biological processes; therefore, the ability to accurately predict their electron affinities is crucial for understanding their properties and function. The increasing availability of cost‐effective implementations of correlated wave function methods for both closed‐shell and open‐shell systems offers an alternative to density functional theory approaches that have traditionally dominated the field despite their shortcomings. Here, we define a benchmark set of quinones with experimentally available electron affinities and evaluate a range of electronic structure methods, setting a target accuracy of 0.1 eV. Among wave function methods, we test various implementations of coupled cluster (CC) theory, including local pair natural orbital (LPNO) approaches to canonical and parameterized CCSD, the domain‐based DLPNO approximation, and the equations‐of‐motion approach for electron affinities, EA‐EOM‐CCSD. In addition, several variants of canonical, spin‐component‐scaled, orbital‐optimized, and explicitly correlated (F12) Møller–Plesset perturbation theory are benchmarked. Achieving systematically the target level of accuracy is challenging and a composite scheme that combines canonical CCSD(T) with large basis set LPNO‐based extrapolation of correlation energy proves to be the most accurate approach. Methods that offer comparable performance are the parameterized LPNO‐pCCSD, the DLPNO‐CCSD(T0), and the orbital optimized OO‐SCS‐MP2. Among DFT methods, viable practical alternatives are only the M06 and the double hybrids, but the latter should be employed with caution because of significant basis set sensitivity. A highly accurate yet cost‐effective DLPNO‐based coupled cluster approach is used to investigate the methoxy conformation effect on the electron affinities of ubiquinones found in photosynthetic bacterial reaction centers. © 2018 Wiley Periodicals, Inc.
Switching the nature of catalytic centers in Pd/NHC systems by solvent effect driven non‐classical R‐NHC Coupling
Authors: Gordeev Evgeniy G. , Ananikov Valentine P.
Published: October 2018

A well‐established oxidative addition of organic halides (R‐X) to N‐heterocyclic carbene (NHC) complexes of palladium(0) leads to formation of (NHC)(R)PdII(X)L species, the key intermediates in a large variety of synthetically useful cross‐coupling reactions. Typical consideration of the cross‐coupling catalytic cycle is based on the assumption of intrinsic stability of these species, where the subsequent steps involve coordination of the second reacting partner. Thus, high stability of the intermediate (NHC)(R)PdII(X)L species is usually taken for granted. In the present study it is discussed that such intermediates are prone to non‐classical R‐NHC intramolecular coupling process (R = Me, Ph, Vinyl, Ethynyl) that results in removal of NHC ligand and generation of another type of Pd catalytic system. DFT calculations (BP86, TPSS, PBE1PBE, B3LYP, M06, wB97X‐D) clearly show that outcome of R‐NHC coupling process is not only determined by chemical nature of the organic substituent R, but also strongly depends on the type of solvent. The reaction is most favorable in polar solvents, whereas the non‐polar solvents render the products less stable. © 2019 Wiley Periodicals, Inc.
Digital enhancement of dental enamel microstructure images from intact teeth
Authors: Arrieta Zulieth López , Fogalli Giovani Bressan , Line Sergio Roberto Peres
Published: October 2018

Dental enamel is formed by rod‐like structures, the enamel prisms. Groups of prisms are packed together in successive horizontal layers of alternating directions, known as Hunter‐Schreger bands (HSBs). HSBs are the major microstructural characteristic of mammalian enamel. The pattern of HSBs can vary among mammalian species and this variability may provide relevant information regarding the species life history and taxon identification. In human HSBs can be used as a biometric‐based parameter for personal identification in automated systems. The analysis of HSBs has been hampered by technical difficulties. The low contrast between light and dark bands and variations in light intensity may hinder the observation of HSBs in digital images. This article describes a simple and efficient computational procedure that greatly enhances the contrast and minimizes the differences in the intensity of illumination in HSBs images. Its use can significantly increase the quality and the number of HSBs that can be recorded in intact teeth.
The Ramsey number of loose cycles versus cliques
Authors: Méroueh Arès
Published: October 2018

Let be the Ramsey number of an ‐uniform loose cycle of length versus an ‐uniform clique of order . Kostochka et al. showed that for each fixed , the order of magnitude of is up to a polylogarithmic factor in . They conjectured that for each we have . We prove that , and more generally for every that . We also prove that for every and , if is odd, which improves upon the result of Collier‐Cartaino et al. who proved that for every and we have .