bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Three‐Component 1,2‐Aminosulfonylation of Alkenes: Entry to 2‐sulfonylethan‐1‐amines
Authors: Luo Mu‐Jia , Liu Bang , Li Yang , Hu Ming , Li Jin‐Heng
Published: December 2018

A new electrochemical intermolecular 1,2‐aminosulfonylation of alkenes with sulfinates and amines is achieved by utilizing balanced three‐component interactions and reactivity differentiation. This strategy can be applicable to a wide range of amines, including primary and secondary amines, thus enabling alkene aminosulfonylation for producing diverse functionalized 2‐sulfonylethan‐1‐amines without the need of additive redox catalysts, metal catalysts and chemical oxidants.

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De novo Design of Organic Photocatalysts: Bithiophene Derivatives for the Visible‐light Induced C−H Functionalization of Heteroarenes
Authors: Bottecchia Cecilia , Martín Raúl , Abdiaj Irini , Crovini Ettore , Alcazar Jesús , Orduna Jesús , Blesa María Jesús , Carrillo José R. , Prieto Pilar , Noël Timothy
Published: December 2018

Herein, we report the de novo synthesis and characterization of a series of substituted bithiophene derivatives as novel and inexpensive organic photocatalysts.

DFT calculations were used to predict a priori their absorption spectra and redox potentials, which were then confirmed with empirical data. The photocatalytic activity of this novel class of organic photoredox catalyst was demonstrated in two visible‐light mediated strategies for the C−H functionalization of heteroarenes. The implementation of these strategies in a continuous‐flow photo‐microreactor afforded moderate to excellent yields within few minutes of reaction time. Due to their straightforward synthesis, low cost and good photocatalytic properties we believe that the proposed bithiophene derivatives could be employed as a new class of organic photoredox catalysts.

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First‐principles modeling for optimal design, operation, and integration of energy conversion and storage systems
Authors: Smolin Yuriy Y. , Lau Kenneth K. S. , Soroush Masoud
Published: December 2018

Energy and electricity consumption is expected to increase in the foreseeable future. Concurrently, sustainability concerns of fossil‐based energy resources have motivated the use of renewable and reusable energy resources, and the use of more efficient energy‐converting and energy‐consuming systems. Consequently, for the past decade, there have been major theoretical and experimental advances in (1) energy generation from renewable and reusable resources and (2) energy‐consuming and energy‐converting devices. This review article focuses on the recent theoretical advances in renewable energy conversion devices such as photovoltaic and fuel cells, and in energy storage devices such as rechargeable batteries, flow batteries, and supercapacitors. Due to similar chemistry, electrochemistry, and physics of these systems, modeling similarities between different energy systems are highlighted. This review puts into perspective how first‐principles mathematical modeling has contributed to systematic advances in the optimal design, operation, and integration of these systems. © 2018 American Institute of Chemical Engineers AIChE J, 65: e16482 2019
EPR Spectroscopy Detects Various Active State Conformations of the Transcriptional Regulator CueR
Authors: Sameach Hila , Ghosh Shreya , Gevorkyan‐Airapetov Lada , Saxena Sunil , Ruthstein Sharon
Published: December 2018

The interactions between proteins and their specific DNA sequences are the basis of many cellular processes. Hence, developing methods to build an atomic level picture of these interactions helps improve our understanding of key cellular mechanisms. CueR is an Escherichia coli copper‐sensing transcription regulator. The inhibition of copper‐sensing transcription regulators can kill pathogens, without harming the host. Several spectroscopic studies and crystallographic data have suggested that changes in the conformation of both the DNA and the protein control transcription. However, due to the inadequate resolution of these methods, the exact number of active conformations of CueR has not been determined. Resolving the structure of CueR in its active state is highly important for the development of specific inhibitors. Herein, the potential of double‐histidine (dHis)‐based CuII spin labeling for the identification of various conformational states of CueR during transcription is shown.
Renaissance of Organic Triboluminescent Materials
Authors: Mukherjee Sanjoy , Thilagar Pakkirisamy
Published: December 2018

Solid‐state luminescence of organic dyes is an elusive frontier, and understanding and designing solid‐state stimuli‐responsive materials is not trivial. “Mechanoluminescence” (ML) or “triboluminescence” (TL), which is associated with fracture or force‐initiated luminescence from a material, is currently attracting new interest. Fracturing the surfaces of organic crystals ordered in noncentrosymmetric space groups can electronically excite the surface and neighboring molecules through piezo‐ or pyroelectric effects, and this can result in luminescence when the molecules relax back to their ground states. The combined duration of these two consecutive phenomena leads to force‐generated luminescence or TL. Although TL has been known for a very long time, examples of TL‐active materials are scarce, but are increasing as synthetic and characterization procedures develop. The question is now whether the relatively rare phenomenon of TL needs to be reevaluated to obtain a broader understanding of the subject.
Dinaphthobenzo[1,2:4,5]dicyclobutadiene: Antiaromatic and Orthogonally Tunable Electronics and Packing
Authors: Jin Zexin , Yao Ze‐Fan , Barker Kayla P. , Pei Jian , Xia Yan
Published: December 2018

Polycyclic conjugated hydrocarbons containing antiaromatic four‐membered cyclobutadienoids (CDB) are of great fundamental and technical interest. However, their challenging synthesis has hampered the exploration and understanding of such systems. Reported herein is a modular and efficient synthesis of novel CBD‐containing acene analogues, dinaphthobenzo[1,2:4,5]dicyclobutadiene (DNBDCs), with orthogonally tunable electronic properties and molecular packing. The design also features strong antiaromaticity of the CBD units, as revealed by nucleus‐independent chemical shift and anisotropy of the induced current density calculations, as well as X‐ray crystallography. Tuning the size of silyl substituents resulted in the most favorable “brick‐layer” packing for triisobutylsilyl‐DNBDC and a charge mobility of up to 0.52 cm2 V−1 s−1 in field‐effect transistors.
Photooxidase‐Mimicking Nanovesicles with Superior Photocatalytic Activity and Stability Based on Amphiphilic Amino Acid and Phthalocyanine Co‐Assembly
Authors: Han Jingjing , Liu Kai , Chang Rui , Zhao Luyang , Yan Xuehai
Published: December 2018

Enzyme mimics have broad applications in catalysis and can assist elucidation of the catalytic mechanism of natural enzymes. However, challenges arise from the design of catalytic sites, the selection of host molecules, and their integration into active three‐dimensional structures. Herein, we describe the development of a photooxidase mimic by synergetic molecular self‐assembly. 9‐Fluorenylmethyloxycarbonyl‐l‐histidine undergoes efficient co‐assembly with phthalocyanine into nanovesicles with tunable particle size and membrane thickness. The obtained nanovesicles can be used as catalysts for reactive‐oxygen‐mediated photosensitive oxidation with improved efficiency and stability. This work highlights the co‐assembly of simple building blocks into a supramolecular photocatalyst, which might give insight into possible evolutionary paths of photocatalytic membrane systems, and might allow facile transfer into photosensitive nanoreactors or artificial organelles.
Investigation of the Physical and Tribological Properties of Iso‐Oleic Acid
Authors: Biresaw Girma , Ngo Helen , Dunn Robert
Published: December 2018

Oleic acid was isomerized into iso‐oleic acid using a modified ferrite zeolite catalyst. The isomerization produced a mixture of iso‐oleic acid isomers, with a methyl branching at the double bond, whose position has been randomly distributed along the fatty‐acid chain. The effect of isomerization on the physical and tribological properties of iso‐oleic acid relative to oleic acid was investigated. The neat fatty acids and their blends in polyalphaolefin (PAO‐6) and high‐oleic sunflower oil (HOSuO) base oils were used in the investigations. Relative to neat oleic acid, neat iso‐oleic acid displayed: higher kinematic viscosity but lower viscosity index (VI) and acid number; lower pour point (PP) and cloud point (CP); better oxidation stability; similar four‐ball (4‐ball) antiwear friction and wear; and similar 4‐ball extreme pressure weld point. Blends (0–10%, w/w) of iso‐oleic and oleic acid in PAO‐6 displayed the following similar trends with increasing concentration: mildly decreasing kinematic viscosity at 40 and 100 °C; increasing VI; lower coefficient of friction; and no change in wear. Blends (0–10%, w/w) of iso‐oleic and oleic acid in HOSuO displayed the following similar trends: decreasing oxidation stability with increasing concentration; constant PP and CP with increasing concentration.
Stellar and dark matter density in the Local Universe
Authors: Karachentsev I. D. , Telikova K. N.
Published: December 2018

We calculate the mean density profiles for luminous and dark matter on distance scalesD ∼ 1–100 Mpc around us using recent all‐sky catalogs of galaxy groups. Within the Local Volume (D < 11 Mpc), we derived the mean stellar density Ω* = 0.44% in the critical density units and the mean total matter density Ωm = 0.17. Within a sphere of radius 40 Mpc, these quantities drop to Ω* = 0.24–0.32% and Ωm = 0.09–0.14. In a larger volume withinD ∼ 135 Mpc, the discussed densities become more uncertain: Ω* = 0.20–0.24% and Ωm = 0.05–0.16. We summarize that the major part of the cosmic dark matter is located outside the virial and collapsing zones of groups and clusters.
CCNG1 (Cyclin G1) regulation by mutant‐P53 via induction of Notch3 expression promotes high‐grade serous ovarian cancer (HGSOC) tumorigenesis and progression
Authors: Xu Ying , Zhang Qing , Miao Chunying , Dongol Samina , Li Yinuo , Jin Chenjuan , Dong Ruifeng , Li Yingwei , Yang Xingsheng , Kong Beihua
Published: December 2018

TP53 mutation is considerably common in advanced high‐grade serous ovarian cancer (HGSOC) and significantly associated with a poor prognosis. In this study, we investigated the role of Cyclin G1 (CCNG1), a target gene of wild‐type TP53 (P53wt), in HGSOC and the possible regulatory mechanism between TP53 mutant (P53mt) and CCNG1 in the progression of HGSOC. High expression level of CCNG1 was found in 61.3% of HGSOC tissues and only 18.2% in fimbriae of fallopian tubes. Additionally, overexpression of CCNG1 was significantly associated with a shorter overall survival (P < 0.0001) and progression‐free survival (P < 0.0004) in HGSOC patients. In vitro, CCNG1 promoted both tumor cell motility by inducing epithelial‐mesenchymal transition (EMT) and resistance to cisplatin (CDDP). In vivo, knockdown expression of CCNG1 inhibited cancer metastasis. Furthermore, P53mt increased the expression of CCNG1 by regulating Notch3 expression, and a positive correlation between CCNG1 and Notch3 protein expression was observed by Immunohistochemistry (IHC) (r = 0.39, P: 0.01528). In conclusion, the activation of P53mt‐Notch3‐CCNG1 pathway was responsible for tumor progression to advanced disease with correlation with worse prognosis in patients with HGSOC. These data suggest a possible molecular mechanism of disease and highlights CCNG1’s potential role as a therapeutic target in HGSOC.
The prognostic significance of circulating tumor cells in head and neck and non‐small‐cell lung cancer
Authors: Kulasinghe Arutha , Kapeleris Joanna , Kimberley Rebecca , Mattarollo Stephen R. , Thompson Erik W. , Thiery Jean‐Paul , Kenny Liz , O’Byrne Ken , Punyadeera Chamindie
Published: December 2018

Tumor biopsy is the gold standard for the assessment of clinical biomarkers for treatment. However, tumors change dynamically in response to therapy, and there remains a need for a more representative biomarker that can be assayed over the course of treatment. Circulating tumor cells (CTCs) may provide clinically important and comprehensive tumoral information that is predictive of treatment response and outcome. Blood samples were processed for CTCs from 56 patients using the ClearCell FX system. Captured cells were phenotyped for CTC clusters and markers for immunotherapy (PD‐L1) CTC chromosomal architecture (ALK, EGFR). CTCs were isolated in 11/23 (47.8%) of head and neck cancer (HNC) patients and 17/33 (51.5%) of non‐small‐cell lung cancer (NSCLC) patients. CTCs were determined to be PD‐L1‐positive in 6/11 (54.4%) HNC and 11/17 (64.7%) NSCLC cases, respectively. 3D chromosomal DNA FISH for ALK and EGFR molecular targets showed better resolution than in 2D when imaging CTCs. HNC CTC‐positive patients had shorter progression‐free survival (PFS) (hazard ratio[HR]: 4.946; 95% confidence internal[CI]:1.571‐15.57; P = 0.0063), and PD‐L1‐positive CTCs were found to be significantly associated with worse outcome ([HR]:5.159; 95% [CI]:1.011‐26.33; P = 0.0485). In the advanced stage NSCLC patient cohort, PFS was not found to be associated with CTCs prior to therapy ([HR]:2.246; 95% [CI]:0.9565‐5.273; P = 0.0632), nor the presence of PD‐L1 expression ([HR]:1.646; 95% [CI]:0.5128‐5.283; P = 0.4023). This study demonstrated that CTCs are predictive of poorer outcomes in HNC and provides distinct and separate utility for CTCs in HNC and NSCLC, which may be more representative of the disease burden and overall survival than the parameters used to measure them.
Campus emergency notification systems: Lessons learned from a miscommunication
Authors: Patten Ryan , Ruddell Rick , Thomas Matthew O.
Published: December 2018

The ability to instantly notify tens of thousands of students and campus personnel about potential or actual threats at an institution of higher education has become an important crisis communications tool for campus security and police departments. Used correctly, these emergency notification systems can reduce threats to life and property. The most common uses of emergency notification systems are for severe weather communication, law enforcement emergencies, class cancellations, and traffic or construction updates.
Was student‐athlete wrongfully arrested?
Authors: Gelpi Aileen
Published: December 2018

Police officers in California, Pennsylvania, received a report in October 2014 that an individual was severely beaten outside a restaurant by a group of California University of Pennsylvania football players.
FBI reports increase in hate crimes nationwide for third consecutive year
Authors: Sutton Halley
Published: December 2018

For the third year in a row, the Federal Bureau of Investigation's annual report on hate crimes reported an uptick in such crimes nationwide. In 2017, there were 7,175 hate crimes in the United States, compared to 6,121 hate crimes in 2016. That represents a 17 percent increase over a year that had seen a 5 percent increase in hate crimes reported compared with 2015.
Variations in the Components and Antioxidant and Tyrosinase Inhibitory Activities of Styphnolobium japonicum (L.) Schott Extract during Flower Maturity Stages
Authors: Wang Ji‐Rui , Li Long‐Yun , Tan Jun , Song Xu‐Hong , Chen Da‐Xia , Xu Jin , Ding Gang
Published: December 2018

Styphnolobium japonicum (L.) Schott is widely cultivated in China, and its flowers and flower buds (FFB‐SJ) are commonly used as traditional Chinese medicine. This work aimed to assess variations in the chemical components and antioxidant and tyrosinase inhibitory activities of S. japonicum extract during five flower maturity stages (ES1–ES5). The results showed that the contents of total flavonoids, rutin, and narcissin were highest at ES1, whereas the contents of quercetin and isorhamnetin were highest at ES3. ES1 presented considerable antioxidant activities in terms of reducing power (RP) and 1,1‐diphenyl‐2‐picrylhydrazyl radical (DPPH.) and hydroxyl radical (.OH) scavenging capacity, whereas ES3 showed excellent tyrosinase inhibitory activity and 2,2′‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid) radical (ABTS.+)‐ and O2.−‐scavenging capacity. Rutin and quercetin are the main bioactive components of FFB‐SJ with antioxidant and tyrosinase inhibition, and the immature flower buds of S. japonicum (S2 and S3) with excellent biological activities and relatively high extract yields were the best for product development.
Exploring Pairwise Chemical Crosslinking To Study Peptide–Receptor Interactions
Authors: Seidel Lisa , Zarzycka Barbara , Katritch Vsevolod , Coin Irene
Published: December 2018

Pairwise crosslinking is a powerful technique to characterize interactions between G protein coupled receptors and their ligands in the live cell. In this work, the “thiol trapping” method, which exploits the proximity‐enhanced reaction between haloacetamides and cysteine, is examined to identify intermolecular pairs of vicinal positions. By incorporating cysteine into the corticotropin‐releasing factor receptor and either α‐chloro‐ or α‐bromoacetamide groups into its ligands, it is shown that thiol trapping provides highly reproducible signals and a low background, and represents a valid alternative to classical “disulfide trapping”. The method is advantageous if reducing agents are required during sample analysis. Moreover, it can provide partially distinct spatial constraints, thus giving access to a wider dataset for molecular modeling. Finally, by applying recombinant mini‐Gs, GTPγS, and Gαs‐depleted HEK293 cells to modulate Gs coupling, it is shown that yields of crosslinking increase in the presence of elevated levels of Gs.
Convexity subarachnoid hemorrhage presented with loss of consciousness
Authors: Yamazoe Shinji , Okuyama Yumi , Baba Akira , Yakabe Hiroyuki , Kobashi Yuko , Mogami Takuji
Published: December 2018

Key Clinical Message

When patients present with transient loss of consciousness without headache and head computed tomography is performed, clinicians should pay attention to cortical high densities as convexity subarachnoid hemorrhage can be a differential diagnosis.
Sleep apnea: Do not forget to inspect the throat!
Authors: Pirovino Christian Alain , Giger Roland , Landis Basile Nicolas
Published: December 2018

Key Clinical Message

Obstructive sleep apnea syndrome (OSAS) is a widespread and underdiagnosed disease. Causes are mostly related to obesity and anatomy with oro‐pharyngeal narrowing. Parapharyngeal tumors are rare but can easily be treated. Careful oro‐pharyngeal examination in OSAS patient is cheap, easy to perform by non‐ENT specialists, quick, and avoids inadequate treatment.
Isolated lichen planus of lip: Diagnosis and treatment monitoring using dermoscopy
Authors: Mathur Mahesh , Acharya Prakash , Karki Alina , KC Nisha , Shah Jyoti , Jha Ayush
Published: December 2018

Key Clinical Message

Lichen planus (LP) of lip has chances of malignant transformation as it may be exposed to external trauma, smoking, and ultraviolet light. This case highlights the use of dermoscope as a quick noninvasive tool for the diagnosis of LP of lip and monitoring the response to treatment.
Point‐of‐care renal ultrasound: Interpret with care
Authors: Koratala Abhilash , Bhattacharya Deepti , Chamarthi Gajapathiraju
Published: December 2018

Key Clinical Message

Renal vascular malformations may mimic hydronephrosis on gray‐scale ultrasound and can be easily differentiated using color doppler imaging. Non‐radiology physicians performing point‐of‐care renal ultrasound should be aware of this finding to avoid mismanagement.
Idiopathic Atrophoderma of Pasini and Pierini: Case report and literature review
Authors: Muntyanu Anastasiya , Redpath Margaret , Roshdy Osama , Jfri Abdulhadi
Published: December 2018

Key Clinical Message

Idiopathic Atrophoderma of Pasini and Pierini should be considered on the differential in a patient presenting with an asymptomatic atrophic plaque on the skin. Differentiation from Linear Atrophoderma of Moulin and morphea remains a challenge; however, features of the presentation and tissue biopsy can help establish the diagnosis.
Dispositional Mindfulness and Personal Distress as Predictors of Counseling Self‐Efficacy
Authors: Butts C. Missy , Gutierrez Daniel
Published: December 2018

The authors examined the influence of dispositional mindfulness and personal distress on counseling self‐efficacy among 162 counseling students. Results indicated that dispositional mindfulness and personal distress accounted for significant variance in counseling self‐efficacy. These findings suggest that internal dispositions may facilitate or hinder counseling self‐efficacy in counseling students.
Attributional Style and Burnout of Counselors‐in‐Training
Authors: Lee Injung , Bardhoshi Gerta , Yoon Eunhui , Sandersfeld Tyler , Rush Roma D. , Priest Jacob B.
Published: December 2018

The authors examined whether attributional style could explain burnout among 201 counseling graduate students. Hierarchical multiple regression analysis results indicated that stability and globality of attribution explain a significant amount of the variance in counselor trainees’ burnout. These findings suggest intervention and training should be used to promote a more flexible and positive orientation to handle stressful life events.
A Case Study Exploring Students’ Experiences in a Flipped Counseling Course
Authors: Merlin‐Knoblich Clare , Camp Ami
Published: December 2018

Flipped learning is a teaching approach in which instructors distribute content outside of class and lead application activities in class. In this qualitative case study, the authors explored the experiences of students (N = 10) in a flipped counseling course and identified 3 themes: enjoyment, benefits, and learning inside and outside of the classroom.
Prediction of Concentration Profiles in an L‐Shaped Pulsed Extraction Column
Authors: Rafiei Vahid , Safdari Jaber , Moradi Sadegh , Amani Pouria , Mallah Mohammad H.
Published: December 2018

The L‐shaped extraction pulsed plate column is believed to be able to perform under operating conditions between those of the vertical and the horizontal pulsed plate columns. It has an extraction efficiency similar to the vertical pulsed plate column. Here, the mass transfer performance of this novel column type was investigated and the application of three different models, i.e., the plug flow, the axial dispersion, and the back flow models, was evaluated to predict the solute concentration profile along the column length. The water‐acetone‐n‐butyl acetate and the water‐acetone‐toluene systems were used. The influence of the operational parameters on the height of the mass transfer unit and the back flow coefficients was evaluated using the back flow model. New correlations were proposed to predict the height of the mass transfer unit along with the back flow coefficients in each phase, which were in satisfactory agreement with the experimental data.
Facile Synthesis of N‐Doped Hollow Carbon Spheres @MoS2 via Polymer Microspheres Template Method and One‐Step Calcination for Enhanced Hydrogen Evolution Reaction
Authors: Xu Wenfang , Song Wei , Liu Fosong , Wang Zhongbing , Jin Guanping , Li Chaoxiong , Yang Xinming , Chen Chunnian
Published: December 2018

MoS2, as a catalyst, has attracted broad attention in recent years due to its high catalytic activity and low cost. However, MoS2 stacks readily, especially the one synthesized by calcination which is close to bulk, so it limits the number of exposed active site. Carbon materials possess excellent electrical conductivity and large surface area. In this paper, N‐doped hollow carbon sphere coated MoS2 (NHCS@MoS2) nanocomposites are synthesized via one‐step calcination treatment of the polypyrrole@(NH4)2MoS4 core shell structure directly. Compared with bare MoS2, the NHCS@MoS2 shows remarkably high electrocatalytic activity for hydrogen evolution with the overpotential of 190 mV to reach the current density of 10 mA cm−2. Both small tafel slope and Rct suggest that NHCS@MoS2 has a high hydrogen dissociation rate. Furthermore, it also exhibits excellent stability.
Host–Guest Complexation Using Pillar[5]arene Crystals: Crystal‐Structure Dependent Uptake, Release, and Molecular Dynamics of an Alkane Guest
Authors: Ogoshi Tomoki , Hamada Yukie , Sueto Ryuta , Sakata Yoko , Akine Shigehisa , Moeljadi Adhitya Mangala Putra , Hirao Hajime , Kakuta Takahiro , Yamagishi Tada‐aki , Mizuno Motohiro
Published: December 2018

Host–guest complexation has been mainly investigated in solution, and it is unclear how guest molecules access the assembled structures of host and dynamics of guest molecules in the crystal state. In this study, we studied the uptake, release, and molecular dynamics of n‐hexane vapor in the crystal state of pillar[5]arenes bearing different substituents. Pillar[5]arene bearing 10 ethyl groups yielded a crystal structure of herringbone‐type 1:1 complexes with n‐hexane, whereas pillar[5]arene with 10 allyl groups formed 1:1 complexes featuring a one‐dimensional (1D) channel structure. For pillar[5]arene bearing 10 benzyl groups, one molecule of n‐hexane was located in the cavity of pillar[5]arene, and another n‐hexane molecule was located outside of the cavity between two pillar[5]arenes. The substituent‐dependent differences in molecular arrangement influenced the uptake, release, and molecular dynamics of the n‐hexane guest. The substituent effects were not observed in host–guest chemistry in solution, and these features are unique for the crystal state host–guest chemistry of pillar[5]arenes.
Identifiable state‐space models: A case study of the Bay of Fundy sea scallop fishery
Authors: Yin Yihao , Aeberhard William H. , Smith Stephen J. , Mills Flemming Joanna
Published: December 2018

State‐space models (SSMs) are now popular tools in fisheries science for providing management advice when faced with noisy survey and commercial fishery data. Such models are often fitted within a Bayesian framework requiring both the specification of prior distributions for model parameters and simulation‐based approaches for inference. Here we present a frequentist framework as a viable alternative and recommend using the Laplace approximation with automatic differentiation, as implemented in the R package Template Model Builder, for fast fitting and reliable inference. Additionally we highlight some identifiability issues associated with SSMs that fisheries scientists should be aware of and demonstrate how our modelling strategy surmounts these problems. Using the Bay of Fundy sea scallop fishery we show that our implementation yields more conservative advice than that of the reference model.The Canadian Journal of Statistics47: 27–45; 2019 © 2018 Statistical Society of Canada
Simulation and stability analysis of conflict events between employees and organization based on the social network
Authors: Jiang Fengzhen , Zhao Xu , Bai Qingguo
Published: December 2018

The conflict events between employees and organization may change with the changes in parameters of circumstance (eg, punishment, uncertainty of external environment, and group characteristics). We present the game model in the social network environment by analyzing the decision‐making process of conflict events and the factors to describe the evolution of conflict events. Finally, using Anylogic and MATLAB to give the simulation and stability analysis. This research paper can help an organization take the appropriate strategies with effective operation management.
Renal Clearance in Newborns and Infants: Predictive Performance of Population‐Based Modeling for Drug Development
Authors: Wang Jian , Kumar Shaun S. , Sherwin Catherine M. , Ward Robert , Baer Gerri , Burckart Gilbert J. , Wang Yaning , Yao Lynne P.
Published: December 2018

The objective of this study was to evaluate the predictive performance of population models to predict renal clearance in newborns and infants. Pharmacokinetic (PK) data from eight drugs in 788 newborns and infants were used to evaluate the predictive performance of the population models based on postmenstrual age (PMA), postnatal age, gestational age, and body weight. For the PMA model, the average fold error for clearance (CL)predicted/CLobserved was within a twofold range for each drug in all subgroups. For drugs with > 90% renal elimination, the prediction bias ranged from 0.7−1.3. For drugs with 60–80% renal elimination, the prediction bias ranged 0.6–2.0. Our results suggest that PMA‐based sigmoidal maximum effect (Emax) model, in combination with bodyweight‐based scaling and kidney function assessment, can be used in population PK (PopPK) modeling for drugs that are primarily eliminated via renal pathway to inform initial dose selection for newborns and infants with normal renal function in clinical trials.
Artificial lighting at night alters aquatic‐riparian invertebrate food webs
Authors: Sullivan S. Mažeika P. , Hossler Katie , Meyer Lars A.
Published: December 2018

Artificial lighting at night (ALAN) is a global phenomenon that can be detrimental to organisms at individual and population levels, yet potential consequences for communities and ecosystem functions are less resolved. Riparian systems may be particularly vulnerable to ALAN. We investigated the impacts of ALAN on invertebrate community composition and food web characteristics for linked aquatic‐terrestrial ecosystems. We focused on food chain length (FCL), a central property of ecological communities that can influence their structure, function, and stability; and the contribution of aquatically derived energy (i.e., nutritional subsidies originating from stream periphyton). We collected terrestrial arthropods and emergent aquatic insects from a suite of stream and wetland sites in Columbus, Ohio, USA. Stable isotopes of carbon (13C) and nitrogen (15N) were used to infer FCL and contribution of aquatically derived energy. We found that moderate‐to‐high levels of ALAN altered invertebrate community composition, favoring primarily predators and detritivores. Impacts of ALAN, however, were very taxon specific as illustrated, for example, by the negative impact of ALAN on the abundance of orb‐web spiders belonging to the families Tetragnathidae and Araneidae: key invertebrate riparian predators. Most notably, we observed decreases in both invertebrate FCL and reliance on aquatically derived energy under ALAN (although aquatic energetic contributions appeared to increase again at higher levels of ALAN), in addition to shifts in the timing of reciprocal nutritional subsidies. Our study demonstrates that ALAN can alter the flows of energy between aquatic and terrestrial systems, thereby representing an environmental perturbation that can cross ecosystem boundaries. Given projections for global increases in ALAN, both in terms of coverage and intensity, these results have broad implications for stream ecosystem structure and function.
Experimental manipulation of visual attention affects body size adaptation but not body dissatisfaction
Authors: Stephen Ian D. , Hunter Katie , Sturman Daniel , Mond Jonathan , Stevenson Richard J. , Brooks Kevin R.
Published: December 2018

Objective

Prolonged exposure to large/small bodies causes aftereffects in perceived body size. Outside the laboratory, individuals repeatedly exposed to small (large) bodies tend to over‐ (under‐) estimate their size and exhibit increased (decreased) body dissatisfaction. Why, among individuals exposed to approximately equivalent distributions of body sizes, only some develop body size and shape misperception and/or body dissatisfaction is not yet fully understood.

Method

We exposed 61 women to high and low adiposity bodies simultaneously, instructing half to attend to high, and half to low adiposity bodies.

Results

Participants in the high adiposity attention condition's perception of “normal” body size significantly increased in adiposity, and vice versa.

Discussion

This suggests that visual attention moderates body size aftereffects. Interventions encouraging visual attention to more realistic ranges of bodies may therefore reduce body misperception. No change in body dissatisfaction was found, suggesting that changes in the perceptual component (misperception) may not necessarily affect the attitudinal component (dissatisfaction) of body image distortion.
The effects of transient heat release rate and crosswind on flame length and tilt angle of flames at different positions in the spread of fire over a diesel pool
Authors: Wang Liang , Dong Yuhong , Su Shichuan , Wei Chengyin , Cui Haibin , Guo Chenyu , Feng Desheng
Published: December 2018

The spread of fire over liquid fuel is a common phenomenon, and it has been demonstrated experimentally that the flame length and tilt angle change with the transient heat release rate and different positions of the flame. The coupling relationship between these factors is studied in this paper. The experiments are composed of a rectangular pool with dimensions of 80 cm × 6 cm × 5 cm and crosswind with speeds of 0.8 to 2.4 m/s. Diesel is used as the fuel, and a new method is applied to ensure that the initial temperature of the diesel is constant during ignition. The results show that the traditional method of luminous flame intermittency may not be suitable for studying the geometric characteristics of the spread of fire over a pool, and a new method is proposed. In addition, the transient variation of flame length in different positions of the pool is shown to fluctuate around a mean flame length. The evolution of flame tilt angle along the longitudinal direction of the pool exhibits a U‐shaped curve. Moreover, the multivariate nonlinear relationships of mean flame length and tilt angle among the heat release rate, fire position, and wind speed are established, and relevant coefficients are determined.
System for Quality‐Assured Data Analysis: Flexible, reproducible scientific workflows
Authors: Fowler Jerry , San Lucas Francis Anthony , Scheet Paul
Published: December 2018

The reproducibility of scientific processes is one of the paramount problems of bioinformatics, an engineering problem that must be addressed to perform good research. The System for Quality‐Assured Data Analysis (SyQADA), described here, seeks to address reproducibility by managing many of the details of procedural bookkeeping in bioinformatics in as simple and transparent a manner as possible. SyQADA has been used by persons with backgrounds ranging from expert programmer to Unix novice, to perform and repeat dozens of diverse bioinformatics workflows on tens of thousands of samples, consuming over 80 CPU‐months of computing on over 300,000 individual tasks of scores of projects on laptops, computer servers, and computing clusters. SyQADA is especially well‐suited for paired‐sample analyses found in cancer tumor‐normal studies. SyQADA executable source code, documentation, tutorial examples, and workflows used in our lab is available from http://scheet.org/software.html.
Ordovician to Early Permian accretionary tectonics of Eastern Tianshan: Insights from Kawabulak ophiolitic mélange, granitoid, and granitic gneiss
Authors: Ao Songjian , Xiao Wenjiao , Windley Brian F. , Mao Qigui , Zhang Ji'En , Zhang Zhiyong
Published: December 2018

There is a broad consensus that the final closure of the Paleo‐Asian Ocean lead to the formation of the southern segment of the Central Asian Orogenic Belt. However, the final closure of the Paleo‐Asian Ocean remains controversial. To address this issue, a systematical study of geochemical and zircon U–Pb on the Kawabulak ophiolite in the southern Eastern Tianshan was carried out. The Kawabulak ophiolite is an accretionary prism that consists of different lithological tectonic slices and marks the suture zone that welded the Central Tianshan composite arc and the northern passive margin of the Tarim Craton. Zircon U–Pb data show that gabbro blocks of the Kawabulak ophiolite formed at 360.9 ± 3.3 Ma in the northern part and 326.0 ± 3.3 Ma in the southern part, respectively. The geochemistry features of basalts and gabbros show OIB‐type, arc/subduction‐related affinities, indicating different tectonic setting origins. A granitic gneiss with an arc‐related geochemical feature yielded a zircon U–Pb age of 477.2 Ma, indicating the earliest subduction event. The youngest deformed arc‐related granitic intrusion (295 Ma) in the Kawabulak prism indicates that the final closure timing of the Paleo‐Asian Ocean in Eastern Tianshan is after the Early Permian. The results of our study shed light to the temporal and spatial evolution of the southern Central Asian Orogenic Belt.
Fronto‐insular‐parietal network engagement underlying arithmetic word problem solving
Authors: Chang Ting‐Ting , Lung Tzu‐Chen , Ng Chan‐Tat , Metcalfe Arron W. S.
Published: December 2018

Mathematical word problems are ubiquitous and standard for teaching and evaluating generalization of mathematical knowledge for real‐world contexts. It is therefore concerning that the neural mechanisms of word problem solving are not well understood, as these insights represent strong potential for improving education and remediating deficits in this domain. Here, we investigate neural response to word problems via functional magnetic resonance imaging (fMRI). Healthy adults performed sentence judgment tasks on word problems that either contained one‐step mathematical operations, or nonarithmetic judgments on parallel narratives without any numerical information. Behavioral results suggested that the composite efficiency measurement of combining accuracy and RT did not differ between the two problem types. Arithmetic sentence judgments elicited greater activation in the fronto‐insular‐parietal network including intraparietal sulcus (IPS), dorsolateral prefrontal cortex (PFC), and anterior insula (AI) than narrative sentence judgment. Narrative sentence judgments, conversely, resulted in greater activation predominantly in the left ventral PFC, angular gyrus and perisylvian cortex compared with reading arithmetic sentences. Moreover, task‐dependent functional connectivity analyses showed the AI circuits were more strongly coupled with IPS during arithmetic sentence judgments than nonarithmetic sentences. Finally, activations in the IPS during arithmetic were highly correlated with out‐of‐scanner performance on a distinct set of problems with the same characteristics. These results show arithmetic word problem performance differences may rely more heavily on fronto‐insular‐parietal circuits for mathematical model building than narrative text comprehension of similar difficulty. More broadly, our study suggests that quantitative measurements of brain mechanisms can provide pivotal role for uncovering crucial arithmetic skills.
Preparation and reactivity of benzo‐1,2‐dichalcogenete derivatives and their bis(triphenylphosphine)platinum complexes
Authors: Kimura Takeshi , Nakahodo Tsukasa , Fujihara Hisashi
Published: December 2018

The reaction of 4,5‐(o‐xylylenedichalcogeno)‐3,6‐dialkylphthalonitrile (1a‐d) with aluminum chloride in toluene gave ring‐opened products, 3,6‐dialkyl‐4,5‐dicyanobenzene‐1,2‐dithiols (2a,b), for sulfur derivatives and cyclized products, 3,6‐dialkyl‐4‐,5‐dicyanobenzo‐1,2‐diselenetes (2c,d), for selenium derivatives. Asymmetrically substituted 3,6‐diethylbenzo‐1,2‐diselenete (2e) with a bromo and a nitrile group was prepared by the reaction of 4,5‐(o‐xylylenediseleno)‐3,6‐diethyl‐2‐cyano‐1‐bromobenzene (1e) with aluminum chloride in toluene. Compound 2e was unstable compared with 2c and produced an equilibrium mixture of 2e and dimerized dibenzotetraselenocin 3e in the chloroform solution. Compound 2c was reacted with methyl iodide in the presence of sodium hydroxide to produce 1,2‐bis(methylseleno)‐3,6‐diethyl‐4,5‐dicyanobenzene (4) and bis(2‐methylseleno‐3,6‐diethyl‐4,5‐dicyanophenyl)diselenide (5). Compounds 2a and 2c were reacted with tetrakis(triphenylphosphine)platinum in toluene to give the corresponding platinum complexes 6a and 6c with a dichalcogenaplatinumole ring, respectively. The structures of 6a and 6c were determined by NMR, MS, and X‐ray crystallography. To obtain theoretical information, the structures of dichalcogenetes 2a′, 2c, 2e, 2f, 2g and platinum complexes 6a and 6c were optimized by the DFT method using the Gaussian 09 program and their HOMO and LUMO energy levels were calculated by time‐dependent density functional theory.
Comparison of scenario‐neutral approaches for estimation of climate change impacts on flood characteristics
Authors: Keller Luise , Rössler Ole , Martius Olivia , Weingartner Rolf
Published: December 2018

Scenario‐neutral assessments of climate change impact on floods analyse the sensitivity of a catchment to a range of changes in selected meteorological variables such as temperature and precipitation. The key challenges of the approach are the choice of the meteorological variables and statistics thereof and how to generate time series representing altered climatologies of the selected variables. Different methods have been proposed to achieve this, and it remains unclear if and to which extent they result in comparable flood change projections. Here, we compare projections of annual maximum floods (AMFs) derived from three different scenario‐neutral methods for a prealpine study catchment. The methods chosen use different types of meteorological data, namely, observations, regional climate model output, and weather generator data. The different time series account for projected changes in the seasonality of temperature and precipitation, in the occurrence statistics of precipitation, and of daily precipitation extremes. Resulting change in mean AMF peak magnitudes and volumes differs in sign between the methods (range of −6% to +7% for flood peak magnitudes and −11% to +14% for flood volumes). Moreover, variability of projected peak magnitudes and flood volumes depends on method with one approach leading to a generally larger spread. The differences between the methods vary depending on whether peak magnitudes or flood volumes are considered and different relationships between peak magnitude and volume change result. These findings can be linked to differing flood regime changes among the three approaches. The study highlights that considering selected aspects of climate change only when performing scenario‐neutral studies may lead to differing representations of flood generating processes by the approaches and thus different quantifications of flood change. As each method comes with its own strengths and weaknesses, it is recommended to combine several scenario‐neutral approaches to obtain more robust results.
Management of HPV‐positive women in cervical screening using results from two consecutive screening rounds
Authors: Polman Nicole J. , Veldhuijzen Nienke J. , Heideman Daniëlle A.M. , Snijders Peter J.F. , Meijer Chris J.L.M. , Berkhof Johannes
Published: December 2018

We studied whether triage of human papillomavirus (HPV)‐positive women participating in an HPV‐based screening programme can be improved by including the HPV result at the previous screen in the triage algorithm. We analyzed data of a subgroup of 366 women from the POBASCAM trial, screened by cytology and HPV cotesting. Women were included if they tested HPV‐positive in the second HPV‐based screening round. We evaluated the clinical performance of 16 strategies, consisting of cytology, HPV genotyping, and/or previous screen HPV result. The clinical endpoint was cervical precancer or cancer (CIN3+). The current Dutch triage testing policy for HPV‐positive women is to refer women for colposcopy if they have abnormal cytology at baseline or after 6–18 months. In the second HPV‐based screening round, this strategy yielded a negative predictive value (NPV) of 95.8% (95% confidence interval: 91.9–98.2) and colposcopy referral rate of 37.6% (32.3–43.2%). Replacing repeat cytology by the previous screen HPV result yielded a similar NPV (96.9%, 93.3–98.9) and colposcopy referral rate (38.8%, 33.4–44.4). A higher NPV (99.2%, 96.3–100%) at the cost of a higher colposcopy referral rate (49.2%, 43.6–54.8) was achieved when cytology was combined with HPV16/18 genotyping. The other 13 triage strategies yielded a lower NPV, a higher colposcopy referral rate or performed similarly but required additional testing. HPV‐positive women in the second HPV‐based screening round can be suitably managed by cytology, HPV16/18 genotyping and the HPV result at the previous screen, obviating the need for repeat testing of HPV‐positive, cytology negative women.
Hydrogen bound water profiles in the skin influenced by optical clearing molecular agents—Quantitative analysis using confocal Raman microscopy
Authors: Sdobnov Anton Y. , Darvin Maxim E. , Schleusener Johannes , Lademann Jürgen , Tuchin Valery V.
Published: December 2018

Confocal Raman microscopy has been used to measure depth‐dependent profiles of porcine skin ex vivo in the high wavenumber region after application of molecular optical clearing agents (OCAs). Glycerol (70%) and iohexol (100% Omnipaque [300]) water solutions were used as OCAs and topically applied to porcine ear skin for 30 and 60 minutes. Using Gaussian function–based deconvolution, the changes of hydrogen bound water molecule types have been microscopically analyzed down to the depth of 200 μm. Results show that both OCAs induced skin dehydration (reduction of total water), which is 51.3% for glycerol (60 minutes), 33.1% for glycerol (30 minutes), 8.3% for Omnipaque (60 minutes) and 4.4% for Omnipaque (30 minutes), on average for the 40 to 200 μm depths. Among the water types in the skin, the following reduction was observed in concentration of weakly bound (51.1%, 33.2%, 7.5% and 4.6%), strongly bound (50.4%, 33.0%, 7.9% and 3.4%), tightly bound (63.6%, 42.3%, 26.1% and 12.9%) and unbound (55.4%, 28.7%, 10.1% and 5.9%) water types on average for the 40 to 200 μm depths, post application of glycerol (60 minutes), glycerol (30 minutes), Omnipaque (60 minutes) and Omnipaque (30 minutes), respectively. As most concentrated in the skin, weakly and strongly bound water types are preferentially involved in the OCA‐induced water flux in the skin, and thus, are responsible for optical clearing efficiency.
Analysis of finger vein variety in patients with various diseases using vein authentication technology
Authors: Maeda Yuichiro , Hasegawa Toshio , Komiyama Etsuko , Hirasawa Yusuke , Tsuchihashi Hitoshi , Ogawa Takasuke , Kim Jonghun , Ando Seiichiro , Nagasaka Akio , Miura Naoto , Ikeda Shigaku
Published: December 2018

In finger vein authentication technology, near‐infrared rays penetrate the finger and are absorbed by the hemoglobin in blood. The veins appear as dark areas. The finger vein pattern images of patients with various diseases were acquired; a new evaluation method applying image processing technique (“E value”) was developed, and it was examined whether the patterns have any characteristics differentiating them from those of healthy volunteers. As a result, low E values appeared in systemic sclerosis, mixed connective tissue disease, Sjögren's syndrome, and polymyositis/dermatomyositis. No statistical reduction in E value was shown in patients with rheumatoid arthritis, pernio (without rheumatic diseases), arteriosclerosis obliterans, diabetes, hypertension, hypothyroidism and alopecia areata. This technology could be used for screening and evaluation of some diseases and their conditions with impaired peripheral venous circulation. E value may be useful as an indicator of venous circulation.