bluuebunny/crossref_metadata_2025 huggingface dataset:
Author‐based analysis of conference versus journal publication in computer science
Authors: Kim Jinseok
Published: November 2018

Conference publications in computer science (CS) have attracted scholarly attention due to their unique status as a main research outlet, unlike other science fields where journals are dominantly used for communicating research findings. One frequent research question has been how different conference and journal publications are, considering an article as a unit of analysis. This study takes an author‐based approach to analyze the publishing patterns of 517,763 scholars who have ever published both in CS conferences and journals for the last 57 years, as recorded in DBLP. The analysis shows that the majority of CS scholars tend to make their scholarly debut, publish more articles, and collaborate with more coauthors in conferences than in journals. Importantly, conference articles seem to serve as a distinct channel of scholarly communication, not a mere preceding step to journal publications: coauthors and title words of authors across conferences and journals tend not to overlap much. This study corroborates findings of previous studies on this topic from a distinctive perspective and suggests that conference authorship in CS calls for more special attention from scholars and administrators outside CS who have focused on journal publications to mine authorship data and evaluate scholarly performance.
An evaluation of U.S. municipal open data portals: A user interaction framework
Authors: Zhu Xiaohua , Freeman Mark Antony
Published: November 2018

As an increasing number of open government data (OGD) portals are created, an evaluation method is needed to assess these portals. In this study, we drew from the existing principles and evaluation methods to develop a User Interaction Framework, with concrete criteria in five dimensions: Access, Trust, Understand, Engage‐integrate, and Participate. The framework was then used to evaluate the current OGD sites created and maintained by 34 U.S. municipal government agencies. The results show that, overall, portals perform well in terms of providing access, but not so well in helping users understand and engage with data. These findings indicate room for improvement in multiple areas and suggest potential roles for information professionals as data mediators. The study also reveals that portals using the Socrata platform performed better, regarding user access, trust, engagement, and participation. However, the variability among portals indicates that some portals should improve their platforms to achieve greater user engagement and participation. In addition, city governments need to develop clear plans about what data should be available and how to make them available to their public.
The first impression of conference papers: Does it matter in predicting future citations?
Authors: Lee Danielle H. , Brusilovsky Peter
Published: November 2018

This article explores the factors influencing the future citations of conference papers. We concentrated on the explanatory power of early attention on conference papers for citations collected from Google Scholar and Scopus. The early attention data includes users’ online activities in a conference support system: CN3. Bookmarks from the bibliographic management system, Citeulike, were used as a collateral source of early attention. To examine the chronological contributions of 13 factors on citations, a multiple sequential regression analysis was conducted for three timepoints of the publication cycle—paper submission, time of conferences, and months after conferences. Our results illustrate that online readers’ early attention of Citeulike bookmarks were found to have the most influence on the future impact of the conference papers. The early attention records from CN3 made noteworthy improvements to explaining both the Google and Scopus citations as well. We also found that the type of papers the number of papers presented at a conference, and the best article award records were significant factors influencing future citations. However, the magnitude of the effects made by online readers’ early attention from both sources appears to be larger than these three traditional factors.
Information behaviors in disadvantaged and dependent circumstances and the role of information intermediaries
Authors: Buchanan Steven , Jardine Cara , Ruthven Ian
Published: November 2018

This article provides the first empirical study focused exclusively on the information intermediary role in disadvantaged (socioeconomic) and dependent (support) circumstances. We report findings from interviews and focus groups with 49 UK state and voluntary sector professionals providing support to young (<21) mothers from areas of multiple deprivations. We evidence an important information intermediary role with three key contributions to information behaviors in disadvantaged and dependent circumstances. Intermediaries: facilitate information needs recognition, and consider purposeful action within problematic situations; are a key source of information in themselves, and a key integrative connection to other external sources not otherwise accessed; and tailor and personalize information for relevance, and communicate via incremental and recursive cycles that take into account learning needs. We provide parameters for a theory of information intermediary intervention to guide future examination of an important and understudied role; and conceptualize important theoretical relationships between information behavior and social capital, and in particular shared concepts of social integration, and the progressive and integrative intermediary role within. Our findings have significant practical implications for public health policy and digital health strategies, as they evidence an important human information intermediary role among an at‐risk group, with implications for disadvantaged and vulnerable populations more broadly.
Design of Thermochromic Luminescent Dyes Based on the Bis(ortho‐carborane)‐Substituted Benzobithiophene Structure
Authors: Nishino Kenta , Morisaki Yasuhiro , Tanaka Kazuo , Chujo Yoshiki
Published: November 2018

To obtain solid‐state emissive materials having stimuli‐responsive luminescent chromic properties without phase transition, benzobithiophenes modified with two o‐carborane units having various substituents in the adjacent phenyl ring in o‐carborane were designed and synthesized. Their emission colors were strongly affected not only by the substituents at the para‐position of the phenyl ring but also by molecular distribution in the solid state. In particular, the emission colors were changed by heating without crystal phase transition. It was proposed that their thermochromic properties were correlated not with isomerization but with the molecular motion at the distorted benzobithiophene moiety.
Population‐based birth defects data in the United States, 2011–2015: A focus on eye and ear defects
Authors: Stallings Erin B. , Isenburg Jennifer L. , Mai Cara T. , Liberman Rebecca F. , Moore Cynthia A. , Canfield Mark A. , Salemi Jason L. , Kirby Russell S. , Short Tyiesha D. , Nembhard Wendy N. , Forestieri Nina E. , Heinke Dominique , Alverson C. J. , Romitti Paul A. , Huynh My‐Phuong , Denson Lindsay E. , Judson Emily M. , Lupo Philip J. ,   for the National Birth Defects Prevention Network
Published: November 2018

Background/Objectives

In this data brief, we examine major eye and ear anomalies (anophthalmia/microphthalmia, anotia/microtia, and congenital cataract) for a recent 5‐year birth cohort using data from 30 population‐based birth defects surveillance programs in the United States.

Methods

As a special call for data for the 2018 NBDPN Annual Report, state programs reported expanded data on eye/ear anomalies for birth years 2011–2015. We calculated the combined overall prevalence (per 10,000 live births) and 95% confidence intervals (CI), for the three anomalies as well as by maternal age, maternal race/ethnicity, infant sex, laterality, presence/absence of other major birth defects, and case ascertainment methodology utilized by the program (active vs. passive).

Results

The overall prevalence estimate (per 10,000 live births) was 1.5 (95% CI: 1.4–1.5) for anophthalmia/microphthalmia, 1.5 (95% CI: 1.4–1.6) for congenital cataract, and 1.8 (95% CI: 1.7–1.8) for anotia/microtia. Congenital cataract prevalence varied little by maternal race/ethnicity, infant sex, or case ascertainment methodology; prevalence differences were more apparent across strata for anophthalmia/microphthalmia and anotia/microtia. Prevalence among active vs. passive ascertainment programs was 50% higher for anophthalmia/microphthalmia (1.9 vs. 1.2) and two‐fold higher for anotia/microtia (2.6 vs. 1.2). Anophthalmia/microphthalmia was more likely than other conditions to co‐occur with other birth defects. All conditions were more frequent among older mothers (40+ years).

Conclusions

This data brief provides recent prevalence estimates for anophthalmia/microphthalmia, congenital cataract, and anotia/microtia that address a data gap by examining pooled data from 30 population‐based surveillance systems, covering a five‐year birth cohort of about 12.4 million births.
Exploring Parent–Child Relationships in Alienated versus Neglected/Emotionally Abused Children using the Bene‐Anthony Family Relations Test
Authors: Blagg Nigel , Godfrey Eva
Published: November 2018

Children subject to parental alienation dynamics often present with psychological splitting and lack the ambivalence towards their parents which can be observed in other groups of children, even those who are emotionally abused and neglected. This paper used the Bene‐Anthony Family Relations Test to explore differences between alienated and neglected/emotionally abused children's views and feelings towards their mothers and fathers. Results confirmed that alienated children engaged in splitting, idealising their preferred parent and demonising their target parent without legitimate justification. Conversely, neglected/emotionally abused children presented with greater ambivalence, sending both positive and negative messages to their mothers and fathers; although overall in this study, they displayed a tendency to idealise their parents despite the maltreatment that they had suffered. The results highlight the importance of not taking children's expressed wishes at face value and the need for in‐depth multimodal psychological assessments to establish children's ascertainable rather than expressed wishes.

‘Explore[s] differences between alienated and neglected/emotionally abused children's views and feelings towards their mothers and fathers’

Key Practitioner Messages

The Bene‐Anthony Family Relations Test is an invaluable clinical tool for exploring children's feelings about their family relationships.

Children's expressed wishes about their parents are paradoxical in cases of both alienation and neglect/emotional abuse.

Assessments of children need to identify their ascertainable rather than expressed wishes. This requires a comprehensive multimodal psychological assessment involving all family members, cross‐referencing information from all sources from a longitudinal perspective.
Cytotoxic Neo‐Clerodane Diterpenoids from Scutellaria barbata D.Don
Authors: Wang Maolin , Ma Chenyao , Chen Yong , Li Xiang , Chen Jianwei
Published: November 2018

A new neo‐clerodane diterpenoid, barbatin H (1), together with fifteen known analogues (2–16) were isolated from Scutellaria barbata D.Don. Their structures were determined on the basis of NMR and HR‐MS spectral analysis and comparison with the reported data. All of those compounds were comparatively predicted for their cytotoxic activities against four human tumor cell lines, i. e. LoVo (colon cancer), MCF‐7 (breast cancer), SMMC‐7721 (hepatoma cancer), and HCT‐116 (colon cancer) cells by MTT method in vitro. The results turned out that the series of neo‐clerodane diterpenoids exhibited varying degrees of cytotoxic activities against the growth of the tested tumor cell lines, and most of them exhibited selective cytotoxicity against LoVo cell lines. Scutebata A (14) showed significant cytotoxic activities against four tested tumor cells with IC50 values of 4.57, 7.68, 5.31, and 6.23 μm, respectively, which indicated that it might be a potential chemotherapeutic agent.
Induction of Nectriapyrone Biosynthesis in the Rice Blast Fungus Pyricularia oryzae by Disturbance of the Two‐Component Signal Transduction System
Authors: Motoyama Takayuki , Nogawa Toshihiko , Hayashi Toshiaki , Hirota Hiroshi , Osada Hiroyuki
Published: November 2018

Most fungal secondary metabolism genes are poorly expressed under laboratory conditions. Nectriapyrones are known as secondary metabolites produced mainly by symbiotic fungi, including endophytes and plant pathogens. Herein, we show the induction of nectriapyrone production in the rice blast fungus Pyricularia oryzae. The two‐component signal transduction system was disturbed by disrupting OSM1 and PoYPD1, which encoded a HOG MAP kinase and a His‐containing phosphotransfer (HPt) protein, respectively. This induced the production of two polyketide compounds: nectriapyrone and its hydroxylated analogue. The nectriapyrone biosynthetic gene cluster consists of a polyketide synthase gene (NEC1) and an O‐methyltransferase gene (NEC2). Overexpression of the two genes induced overproduction of nectriapyrone and five nectriapyrone analogues, including a new derivative. Nectriapyrone production was not required for the infection of rice. The structure of nectriapyrone is similar to that of the germicidins produced by Streptomyces spp., and nectriapyrone inhibited the growth of Streptomyces griseus.
Poly(4‐styrene sulfonic acid) to Disperse Graphene for Applications in Lithium–Sulfur Batteries
Authors: Cheng Wei‐Ju , Chang Shinn‐Jen , Cho Chuan‐Sheng , Li Chia‐Chen
Published: November 2018

The front cover artwork is provided by Prof. Chia‐Chen Li's group from the Department of Materials and Mineral Resources Engineering, National Taipei University of Technology (Taiwan). The cover picture shows an effective dispersant, poly(4‐styrene sulfonic acid) (PSSA), for graphene. The addition of the PSSA‐dispersed graphene to a sulfur cathode improves the cell performance of Li–S batteries. Read the full text of the Communication at 10.1002/celc.201801251.
Synthesis of Cyclic Alkyl(amino) Carbene Stabilized Silylenes with Small N‐Donating Substituents
Authors: Li Wenling , Köhler Christian , Yang Zhi , Stalke Dietmar , Herbst‐Irmer Regine , Roesky Herbert W.
Published: November 2018

Lewis base cAACs stabilized monomeric silylenes with halogen or methyl substituents at the silicon center have not been reported due to the strong σ‐donor and π‐acceptor character of cAAC. To prepare these monomeric silylenes, we used the silicon(IV) precursors 5 and 6 with a nitrogen donor group L (L=o‐C6H4NMe2). The cAAC‐stabilized (cAAC=C(CH2)(CMe2)2N‐Ar, Ar=2,6‐iPr2C6H3) silylenes LSiCl(cAAC) (7) and LSiMe(cAAC) (8) were synthesized by reduction of LSiCl3 and LSiMeCl2 with two equivalents of KC8 in the presence of one equivalent of cAAC, respectively. Compounds 7 and 8 were characterized by single‐crystal X‐ray crystallography, NMR spectroscopy, and elemental analysis. Compounds 7 and 8 are stable in the solid state as well as in solution at room temperature for at least four months under inert conditions.
Computer‐aided solvent selection and design for the efficient extraction of a pharmaceutical molecule
Authors: Shankar Kaushik Nagaraj , Adhikari Jhumpa , Noronha Santosh B.
Published: November 2018

We have employed a computer‐aided approach to select and design task‐specific organic solvents for the liquid‐liquid extraction of ephedrine from its aqueous solution. We have identified three solvent performance indicators (SPIs) as the shortlisting criteria for solvents with desirable properties: high ephedrine solubility; low solvent loss; and high partition coefficient. Other properties that were considered include octanol‐water partition coefficient and toxicity, which give a measure of the safety/health/environmental (SHE) impacts, and liquid viscosity, which is an important process design parameter. We have first analyzed the trends in these SPIs for a range of common organic solvents. Toluene (currently employed for the extraction of R‐phenylacetylcarbinol, the precursor to ephedrine) has low solvent loss but relatively poor values of the other SPIs for ephedrine extraction, though with a relatively benign SHE impact. We are unable to identify a solvent (from the list of common organic solvents) that satisfies all the shortlisting criteria for use in the pharmaceutical industry and this provided the motivation for the design of task‐specific solvents. We have designed organic solvents (acyclic aliphatic, aromatic with one side chain attachment, and aromatic with two side chain attachments) with superior values of SPIs than the reference solvent, toluene. We have employed limiting values on the melting and boiling points to ensure the designed solvents are liquids at the operating conditions. Designed aliphatic compounds contain the chloro‐group(s), whereas there are aromatic solvents without the chloro‐groups with better SPIs than toluene. Designed solvents without chloro‐groups may be considered as the starting point for further screening experiments.
Microsecond Protein Dynamics from Combined Bloch‐McConnell and Near‐Rotary‐Resonance R1p Relaxation‐Dispersion MAS NMR
Authors: Marion Dominique , Gauto Diego F. , Ayala Isabel , Giandoreggio‐Barranco Karine , Schanda Paul
Published: November 2018

Studying protein dynamics on microsecond‐to‐millisecond (μs‐ms) time scales can provide important insight into protein function. In magic‐angle‐spinning (MAS) NMR, μs dynamics can be visualized by
rotating‐frame relaxation dispersion experiments in different regimes of radio‐frequency field strengths: at low RF field strength, isotropic‐chemical‐shift fluctuation leads to “Bloch‐McConnell‐type” relaxation dispersion, while when the RF field approaches rotary resonance conditions bond angle fluctuations manifest as increased
rate constants (“Near‐Rotary‐Resonance Relaxation Dispersion”, NERRD). Here we explore the joint analysis of both regimes to gain comprehensive insight into motion in terms of geometric amplitudes, chemical‐shift changes, populations and exchange kinetics. We use a numerical simulation procedure to illustrate these effects and the potential of extracting exchange parameters, and apply the methodology to the study of a previously described conformational exchange process in microcrystalline ubiquitin.
Circular Dichroism and Isotropy – Polarity Reversal of Ellipticity in Molecular Films of 1,1’‐Bi‐2‐Naphtol
Authors: von Weber Alexander , Hooper David C. , Jakob Matthias , Valev Ventsislav K. , Kartouzian Aras , Heiz Ueli
Published: November 2018

We have studied the circular dichroism (CD), in the ultraviolet and visible regions, of the transparent, chiral molecule 1,1’‐Bi‐2‐naphtol (BINOL) in 1.5 μm thick films. The initial transparent film shows an additional negative cotton effect in the CD compared to solution. With time under room temperature the film undergoes a structural phase transition. This goes hand in hand with a cotton effect at the low energy absorption band which inverts with opposite propagation direction of light through the film which is revealed as a polarity reversal of ellipticity (PRE). After completion of the phase transition the film exhibits circular differential scattering throughout the visible range which also shows PRE. The structure change was studied with Raman, microscopy under cross polarization conditions and nonlinear second‐harmonic generation circular dichroism (SHG‐CD). The superposition of the optical activity of individual molecules and isotropy effects makes an interpretation challenging. Yet overcoming this challenge by finding a suitable model structural information can be derived from CD measurements.
A Robust and Cost‐Efficient Scheme for Accurate Conformational Energies of Organic Molecules
Authors: Sharapa Dmitry I. , Genaev Alexander , Cavallo Luigi , Minenkov Yury
Published: November 2018

Several standard semiempirical methods as well as the MMFF94 force field approximation have been tested in reproducing 8 DLPNO‐CCSD(T)/cc‐pVTZ level conformational energies and spatial structures for 37 organic molecules representing pharmaceuticals, drugs, catalysts, synthetic precursors, industry‐related chemicals (37conf8 database). All contemporary semiempirical methods surpass their standard counterparts resulting in more reliable conformational energies and spatial structures, even though at significantly higher computational costs. However, even these methods show unexpected failures in reproducing energy differences between several conformers of the crown ether 1,4,7,10,13,16‐hexaoxacyclooctadecane (18‐crown‐6). Inexpensive force field MMFF94 approximation groups with contemporary semiempirical methods in reproducing the correct order of conformational energies and spatial structures, although the performance in predicting absolute conformational energies compares to standard semiempirical methods. Based on these findings, we suggest a two‐step strategy for reliable yet feasible conformational search and sampling in realistic‐size flexible organic molecules: i) geometry optimization/preselection of relevant conformers using the MMFF94 force field; ii) single‐point energy evaluations using a contemporary semiempirical method. We expect that developed database 37conf8 is going to be useful for development of semiempirical methods.
Infection and Propagation of Astrovirus VA1 in Cell Culture
Authors: Janowski Andrew B. , Wang David
Published: November 2018

Astrovirus VA1/HMO‐C (VA1) is the representative genotype of mamastrovirus 9, a species of the single‐stranded, positive‐sense RNA viral family, Astroviridae. Astroviruses have been traditionally considered pathogens of the gastrointestinal tract but they have been recently associated with neurological diseases in humans, cattle, mink, sheep, and pigs. VA1 is the astrovirus genotype most commonly identified from human cases of meningoencephalitis and has been recently propagated in cell culture. VA1 can now be used as a model system to study pathogenesis of the neurological diseases associated with astrovirus infection. In this article, we describe two fundamental assays to quantify replication and propagation of VA1, a quantitative reverse transcription‐PCR (qRT‐PCR) to measure viral RNA and a 50% tissue culture infectious dose (TCID50) assay to measure infectious viral particles. © 2018 by John Wiley & Sons, Inc.
A test of desert shrub facilitation via radiotelemetric monitoring of a diurnal lizard
Authors: Westphal Michael F. , Noble Taylor , Butterfield Harry Scott , Lortie Christopher J.
Published: November 2018

Preservation of desert ecosystems is a worldwide conservation priority. Shrubs can play a key role in the structure of desert communities and can function as foundation species. Understanding desert shrub ecology is therefore an important task in desert conservation. A useful model for the function of shrubs in deserts is ecological facilitation, which explores benefits that shrubs confer on their community. Facilitation has been well developed in the context of shrub–plant interactions but less well studied for plant–animal interactions. We used radiotelemetry to test the hypothesis that a dominant desert shrub facilitates one species of diurnal lizard. We hypothesized that the blunt‐nosed leopard lizardGambelia silawould spend some part of its daily activity cycle associated with California jointfirEphedra californica, and that lizard association with shrubs would increase during the afternoon peak temperature period. We relocated lizards three times daily for 24 days and scored whether lizards were within 0.5 m of a shrub, which we used as an indicator of shrub association. For each relocation, we also scored lizard association with a set of predefined microhabitat features. We also scored lizard behavior according to a set of predefined behavioral traits. We constructed home ranges following the minimum convex polygon method and generated estimates of shrub density and relative shrub area within each home range polygon. We obtained 1,190 datapoints from a sample of 27 lizards. We found that lizards were associated with open sites significantly more often than with shrubs but were associated with shrubs more than predicted by percent shrub area within their home ranges. Lizards were associated significantly more often under shrubs during the afternoon peak temperature period, and lizards were observed cooling under shrubs significantly more often. The frequency of association of individual lizards with shrubs was not correlated with the density of shrubs within their home range.Synthesis and Applications. Shrubs can be considered as a component of high‐quality habitat for ectothermic desert vertebrates for the purposes of restoration and management. Furthermore, radiotelemetry provides a novel methodological approach for assessing shrub–animal facilitative interactions within desert communities.
An air‐assisted flow‐gating interface for capillary electrophoresis
Authors: Opekar František , Tůma Petr
Published: November 2018

A new kind of flow gating interface (FGI) has been designed for online connection of CE with flow‐through analytical techniques. The sample is injected into the separation capillary from a space from which the BGE was forced out by compressed air. A drop of sample solution with a volume of 75 nL is formed between the outlet of the delivery capillary supplying the solution from the flow‐through apparatus and the entrance to the CE capillary; the sample is hydrodynamically injected into the CE capillary from this drop. The sample is not mixed with the surrounding BGE solution during injection. The functioning of the proposed FGI is fully automated and the individual steps of the injection process are controlled by a computer. The injection sequence lasts several seconds and thus permits performance of rapid sequential analyses of the collected sample. FGI was tested for the separation of equimolar 50 μM mixture of the inorganic cations K+, Ba2+, Na+, Mg2+, and Li+ in 50 mM acetic acid/20 mM Tris (pH 4.5) as BGE. The obtained RSD values for the migration times varied in the range 0.7–1.0% and the values for the peak area were 0.7–1.4%; RSD were determined for ten repeated measurements.
Why evolutionary biology needs anthropology: Evaluating core assumptions of the extended evolutionary synthesis
Authors: Zeder Melinda A.
Published: November 2018

Anthropologists have a long history of applying concepts from evolutionary biology to cultural evolution. Evolutionary biologists, however, have been slow to turn to anthropology for insights about evolution. Recently, evolutionary biology has been engaged in a debate over the need to revise evolutionary theory to account for developments made in 60 years since the Modern Synthesis, the standard evolutionary paradigm, was framed. Revision proponents maintain these developments challenge central tenets of standard theory that can only be accounted for in an extended evolutionary synthesis (EES). Anthropology has much to offer to this debate. One important transition in human cultural evolution, the domestication of plants and animals, provides an ideal model system assessing core EES assumptions about directionality, causality, targets of selection, modes of inheritance, and pace of evolution. In so doing, anthropologists contribute to an overarching framework that brings together cultural and biological evolution.
New insights on the Monte Fenera Palaeolithic, Italy: Geoarchaeology of the Ciota Ciara cave
Authors: Angelucci Diego E. , Zambaldi Maurizio , Tessari Umberto , Vaccaro Carmela , Arnaud Julie , Berruti Gabriele L.F. , Daffara Sara , Arzarello Marta
Published: November 2018

Monte Fenera is a mostly carbonate hill at the southern border of the Western Alps. It hosts several archaeological sites, among them karstic caves bearing evidence of Palaeolithic occupation. These sites have a long history within Alpine archaeology—having been explored since the 19th century—but information on their stratigraphy, chronology, and formation remains incomplete. They are among the few cave‐sites occupied before the Alpine Last Glacial Maximum in the area, and their study is crucial for understanding human occupation and regional environmental evolution during the Pleistocene. Here we focus on Ciota Ciara, a cave formed in Triassic dolostone, and in particular on the Middle‐to‐Upper Pleistocene succession unearthed at its south‐western entrance since 2009. This succession was analyzed by means of several geoarchaeological methods including stratigraphy, routine sediment analyses, and archaeological micromorphology. Our study shows that sediment accumulation was due to the repeated occurrence of concentrated flow and runoff events from the karstic system alternating with episodes of wall disintegration and short phases of surface stabilization. Post‐depositional processes include frost action, hydromorphism, and diagenesis that have selectively affected the archaeological remains. The results of the study shed light on site formation and have relevance for Pleistocene cave archaeology more widely in the southern Western Alps.
A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1–3)
Authors: Liang Yan Ying , Li Bo , Xu Xuan , Long Gu Feng , Zhu Chaoyuan
Published: November 2018

In this work, we investigated the nonlinear optical (NLO) properties of excess electron electride molecules of M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1–3) using density functional theory (DFT). This electride molecules consist of an alkaline‐earth (Be, Mg and Ca) together with transition metal (Cu and Ag) doped in NH3 cluster. The natural population analysis of charge and their highest occupied molecular orbital suggests that the M[Cu(Ag)@(NH3)n] compound has excess electron like alkaline‐earth metal form double cage electrides molecules, which exhibit a large static first hyperpolarizability () (electron contribution part) and one of which owns a peak value of 216,938 (a.u.) for Be[Ag@(NH3)2] and vibrational harmonic first hyperpolarizability () (nuclear contribution part) values and the ratio of /, namely, η values from 0.02 for Be[Ag@(NH3)] to 0.757 for Mg[Ag@(NH3)3]. The electron density contribution in different regions on values mainly come from alkaline‐earth and transition metal atoms by first hyperpolarizability density analysis, and also explains the reason why values are positive and negative. Moreover, the frequency‐dependent values β(−2ω,ω,ω) are also estimated to make a comparison with experimental measures. © 2018 Wiley Periodicals, Inc.
Agomelatine modulates calcium signaling through protein kinase C and phospholipase C‐mediated mechanisms in rat sensory neurons
Authors: Serhatlioglu Ihsan , Bilgin Batuhan , Kacar Emine , Ozcan Sibel , Canpolat Sinan , Ayar Ahmet , Kelestimur Haluk , Ozcan Mete
Published: November 2018

Agomelatine, a novel antidepressant exerting its effects through melatonergic and serotonergic systems, implicated to be effective against pain including neuropathic pain but without any knowledge of mechanism of action. To explore the possible role of agomelatine on nociceptive transmission at the peripheral level, the effects of agomelatine on intracellular calcium ([Ca2+]i) signaling in peripheral neurons were investigated in cultured rat dorsal root ganglion (DRG) neurons. Using the fura‐2‐based calcium imaging technique, the effects of agomelatine on [Ca2+]i and roles of the second messenger‐mediated pathways were assessed. Agomelatine caused [Ca2+]i signaling in a dose‐dependent manner when tested at 10 and 100 μM concentration. Luzindole, a selective melatonin receptor antagonist, almost completely blocked the agomelatine‐induced calcium signals. The agomelatine‐induced calcium transients were also nearly abolished following pretreatment with the 100 ng/ml pertussis toxin, a Gi/o protein inhibitor. The stimulatory effects of agomelatine on [Ca2+]i transients were significantly reduced by applications of phospholipase C (PLC) and protein kinase C (PKC) blockers, 10 μM U73122, and 10 μM chelerythrine chloride, respectively. The obtained results of agomelatine‐induced [Ca2+]i signals indicates that peripheral mechanisms are involved in analgesic effects of agomelatine. These mechanisms seems to involve G‐protein‐coupled receptor activation and PLC and PKC mediated mechanisms.
Benzo(a)pyrene inhibits endometrial cell apoptosis in early pregnant mice via the WNT5A pathway
Authors: Yi Ting , Liu Min , Li Xueyan , Liu Xueqing , Ding Yubin , He Junlin , Xu Hanting , Gao Rufei , Mu Xinyi , Geng Yanqing , Wang Yingxiong , Chen Xuemei
Published: November 2018

Benzo(a)pyrene (BaP) is an endocrine‐disrupting pollutant present in various aspects of daily life, and studies have demonstrated that BaP exerts reproductive toxicity. We previously showed that BaP damages endometrial morphology and decreases the number of implantation sites in early pregnant mice, but the mechanisms underlying these effects remain unclear. The endometrial function is crucial for implantation, which is associated with endometrial cell apoptosis. In this study, we focused on the effect of BaP on endometrial cell apoptosis and the role of WNT signaling during this process. Pregnant mice were gavaged with corn oil (control group) or 0.2 mg·kg−1·day−1BaP (treatment group) from Days 1 to 6 of pregnancy. BaP impaired endometrial function by decreasing the expression of HOXA10 and BMP2, two markers of receptivity and decidualization. WNT5A and β‐catenin were activated in the BaP group. BaP affected the expression of apoptosis‐related proteins and inhibited the apoptosis of endometrial stromal cells. In vitro, human endometrial stromal cells (HESCs) were treated with different concentrations of BaP (dimethyl sulfoxide (DMSO); 5, 10 µM). WNT5A and β‐catenin were also upregulated in the BaP treatment group. HESC apoptosis was restrained by BaP. Inhibiting WNT5A by SFRP5 partially restored the effect of BaP on apoptosis. In summary, these results suggested that BaP exposure during early pregnancy activates WNT5A/β‐catenin signaling pathway, which inhibits the endometrial cell apoptosis and potentially destroys endometrial function.
Crystallization of amorphous‐Si using nanosecond laser interference method
Authors: Kang Min Jin , Kim Minyeong , Hwang Eui Sun , Noh Jiwhan , Shin Sung Tae , Cheong Byoung‐Ho
Published: November 2018

Laser crystallization of a 50‐nm thick amorphous‐Si (a‐Si) thin film on glass substrate was examined by a Nd:YAG (λ = 1064 nm) nanosecond laser and a two‐beam laser interference method. In spite of the low absorption rate of the laser wavelength in the a‐Si, crystallized Si ripple patterns were observed following a single laser pulse irradiation. The atomic force microscope (AFM) measurement revealed that surface ripple arrays are protruded as high as 120 nm at the positions corresponding to the maximum laser intensity and the ripples are composed of narrow double peaks with a separation of 1 μm. Raman image mapping was used to plot the spatial distribution of the crystallized Si phase. It was found that a 1064‐nm‐wavelength nanosecond laser could crystallize an a‐Si thin film into polycrystalline‐Si (poly‐Si) by nonlinear absorption under high laser energy irradiation.
Sex bias: Is it pervasive in otolaryngology clinical research?
Authors: Farzal Zainab , Stephenson Elizabeth D. , Kilpatrick Lauren A. , Senior Brent A. , Zanation Adam M.
Published: November 2018

Objectives/Hypothesis

Recent initiatives highlight substantial sex bias in biomedical research. The objective was to determine whether sex bias is present in otolaryngology and whether sex is appropriately analyzed as an independent variable in otolaryngology clinical research.

Study Design

Literature review.

Methods

We systematically reviewed all 2016 articles in three major otolaryngology journals: The Laryngoscope, JAMA Otolaryngology–Head and Neck Surgery, and Otolaryngology–Head and Neck Surgery. Extracted data included study origin, location, subspecialty, number/sex of subjects, ≥50% sex matching (SM≥50), and sex‐based statistical analysis.

Results

Six hundred of 1,209 articles comprising original clinical research were reviewed including 8,997,345,495 subjects (males: 3,898,559,264 [43.3%]; females: 5,095,592,583 [56.6%]; and unknown: 3,193,648 [0.04%]). There were 533/600 (88.8%) studies that included both sexes, eight (1.3%) included females only, five (0.8%) included males only, and 56 (9.3%) did not document participant sex. Only 280 studies (46.7%) analyzed data by sex, and 330 studies (60.7%) had SM≥50. Sex‐based statistical analysis and SM≥50 were similar in domestic and international studies (48.7% vs. 42.8% and 60.9% vs. 62%, respectively). Database studies performed sex‐based statistical analysis more frequently than single and multi‐institutional studies (79.1% vs. 40.4% and 43.4%, P < .00001). Analysis by sex was more frequently performed in head and neck surgery (53.6%) and pediatric otolaryngology (51.3%), whereas SM≥50 was highest in pediatric otolaryngology (86.8%) and otology (82.4%).

Conclusions

Sex bias exists in the clinical otolaryngology literature, with less than half the studies analyzing sex. Acknowledging the intertwinement of sex with disease pathophysiology and outcomes is important. Eliminating sex bias in research and clinical care should become a major focus for otolaryngologists.

Level of Evidence

NA Laryngoscope, 129:858–864, 2019
Cutaneous squamous cell carcinoma metastasis to the parotid region lymph nodes
Authors: Myers Larry L. , Ahn Chul
Published: November 2018

Objective

To determine the effect on survival of periauricular region cutaneous squamous cell carcinomas (cSCC) metastasizing to parotid region and cervical lymph nodes.

Methods

From May 1995 to October 2013, consecutive patients with cSCC undergoing parotidectomy/neck dissection ≥ 18 years without distant metastasis were included. Demographic, clinical, and pathologic data were analyzed. Uni‐ and multivariate analyses of disease‐specific survival and overall survival were performed. Statistical significance was set at P < 0.05.

Results

We evaluated 137 patients. Most patients were Caucasian males with an average age of 71.6 years. The median follow‐up time was 29.4 months.

Thirty‐six percent of patients had pathological evidence of cervical metastasis (N+). Seven percent had metastasis to level I, 21.9% to level II, 14.6% to level III, 8% to level IV, and 9.5% to level V. Thirty‐nine percent of patients had metastasis to parotid region (P+). The average number of positive:total nodes from parotidectomy was 1.9:4.6.

The median overall and disease‐specific survival times were 2.81 and 1.96 years, respectively. Patients with either neck or parotid metastasis (N + or P+) had significantly decreased survival, hazard ratio 2.298 (1.2739, 4.1445), compared to patients without metastasis (N0P0), P < 0.0057.

Conclusion

Patients with periauricular region cSCC metastasizing to parotid and cervical regions lymph nodes have significantly decreased survival compared with patients without cervical and/or parotid metastasis. Metastasis to parotid region should be considered as a distinct head and neck level when staging periauricular cancers. This study provides a basis for further studies to validate these findings.

Level of Evidence

4

Laryngoscope, 129:1579–1586, 2019
Cellular and molecular mechanisms of cleft palate development
Authors: Deshpande Anita S. , Goudy Steven L.
Published: November 2018

Cleft lip and palate are common craniofacial deformities. The etiology underlying these deformities is complex and multifactorial and they can occur as part of one of many chromosomal syndromes, Mendelian single gene disorders, teratogenic effects, and as yet uncharacterized syndromes. Our paper will provide an overview of the multiple genes and molecular pathways that have been implicated in palatal fusion. We believe that understanding the molecular mechanisms of cleft formation can help clinicians anticipate which patients may have difficulties healing and in the future allow them to make surgical and medical treatment decisions based on genetic information.
Colored organic matter increases CO2 in meso‐eutrophic lake water through altered light climate and acidity
Authors: Nydahl Anna C. , Wallin Marcus B. , Tranvik Lars J. , Hiller Carolin , Attermeyer Katrin , Garrison Julie A. , Chaguaceda Fernando , Scharnweber Kristin , Weyhenmeyer Gesa A.
Published: November 2018

Many surface waters across the boreal region are browning due to increased concentrations of colored allochthonous dissolved organic carbon (DOC). Browning may stimulate heterotrophic metabolism, may have a shading effect constraining primary production, and may acidify the water leading to decreased pH with a subsequent shift in the carbonate system. All these effects are expected to result in increased lake water carbon dioxide (CO2) concentrations. We tested here these expectations by assessing the effects of both altered allochthonous DOC input and light conditions through shading on lake water CO2 concentrations. We used two mesocosm experiments with water from the meso‐eutrophic Lake Erken, Sweden, to determine the relative importance of bacterial activities, primary production, and shifts in the carbonate system on CO2 concentrations. We found that DOC addition and shading resulted in a significant increase in partial pressure of CO2 (pCO2) in all mesocosms. Surprisingly, there was no relationship between bacterial activities and pCO2. Instead the experimental reduction of light by DOC and/or shading decreased the photosynthesis to respiration ratio leading to increased pCO2. Another driving force behind the observed pCO2 increase was a significant decrease in pH, caused by a decline in photosynthesis and the input of acidic DOC. Considering that colored allochthonous DOC may increase in a warmer and wetter climate, our results could also apply for whole lake ecosystems and pCO2 may increase in many lakes through a reduction in the rate of photosynthesis and decreased pH.
Induction of defensive traits in marine plankton—new copepodamide structures
Authors: Grebner Wiebke , Berglund E. Carina , Berggren Fredrik , Eklund Johan , Harðadóttir Sara , Andersson Mats X. , Selander Erik
Published: November 2018

Marine zooplankton release chemical cues, which trigger defenses in unicellular phytoplankton, such as increased toxin production and changes of colony sizes. Here, we identify the structure of two novel alarm cues belonging to the group of copepodamides. Similar to the known copepodamides, one of the compounds described is shown to trigger both amnesic and paralytic shellfish toxin production and chain length shortening in Skeletonema marinoi. In addition, we report the putative structures of another 21 copepodamides, which constitute 28% of the total copepodamides extractable from whole animals, suggesting that the copepodamide concentrations have been underestimated in earlier studies. We introduce a structure‐based nomenclature to handle the increasing number of copepodamides. Analysis of 12 copepod species showed that marine calanoid and freshwater cyclopoid copepods contain copepodamides. The only harpacticoid included in the analysis, Tigriopus californicus, did not appear to produce detectable amounts of copepodamides. Feeding experiments revealed that copepodamide compositions depend on both diet and species‐specific properties. Copepodamides induce both morphological and biochemical defensive traits in phytoplankton and may drive large‐scale trait–mediated effects in marine food webs. The more comprehensive list of copepodamides reported here makes it possible to explore the role of the copepodamide signaling system in the pelagic ecosystem in greater detail.
Processing of Cellulose Using Ionic Liquids
Authors: Hermanutz Frank , Vocht Marc Philip , Panzier Nicole , Buchmeiser Michael R.
Published: November 2018

The processing of cellulose dissolved in ionic liquids (ILs) enables the development of new materials. Besides the established production of cellulosic fiber products, interesting technical applications are developed like super micro filament fibers, cellulose/chitin blend fibers, precursors for carbon fibers, and all‐cellulose composites. This review provides a detailed summary of these new developments and describes how ILs are selected for the processing of cellulose with a particular emphasis on industrial realization. State‐of‐the‐art spinning processes are reviewed and it is illustrated how uniquely selected ILs can be used not only for established fiber spinning but for the development of new cellulose‐based materials.
Silane‐Crosslinked Asymmetric Polythiosemicarbazide Membranes for Organic Solvent Nanofiltration
Authors: Aburabie Jamaliah , Emwas Abdul‐Hamid , Peinemann Klaus‐Viktor
Published: November 2018

Crosslinked polythiosemicarbazide (PTSC) membranes with a positively charged surface are fabricated via a reaction with (3‐glycidyloxypropyl)trimethoxysilane. The integrally asymmetric ultrafiltration membranes discussed here can be easily prepared by water‐induced phase separation using a PTSC solution in dimethylsulfoxide (DMSO). The crosslinked PTSC membranes are stable in DMSO, N,N‐dimethylformamide, and tetrahydrofuran and they reject molecules of molecular weights (MW) above 1300 g mol−1. The influence of the crosslinking agent on the surface charge, membrane solvent resistance, and membrane performance is discussed. The crosslinked asymmetric PTSC membranes totally reject Direct Red dye (MW 1373 g mol−1), while the pristine PTSC membrane does not show any rejection for this dye. This finding suggests that an inorganic‐type‐network is formed during the crosslinking reaction, which tunes the pore size of the prepared membranes.
Orientation Distribution Function Pattern for Rigid Dumbbell Suspensions in Any Simple Shear Flow
Authors: Jbara Layal M. , Giacomin Alan Jeffrey
Published: November 2018

For rigid dumbbells suspended in a Newtonian solvent, the viscoelastic response depends exclusively on the dynamics of dumbbell orientation. The orientation distribution function ψ(θ, φ, t) represents the probability of finding dumbbells within the range (θ, θ + dθ) and (φ, φ + dφ). This function is expressed in terms of a partial differential equation (the diffusion equation), which, for any simple shear flow, is solved by postulating a series expansion in the shear rate magnitude. Each order of this expansion yields a new partial differential equation, for which one must postulate a form for its solution. This paper finds a simple and direct pattern to these solutions. The use of this pattern reduces the amount of work required to determine the coefficients of the power series expansion of the orientation distribution function, ψ
i
. To demonstrate the usefulness of this new pattern, new expressions for these coefficients are derived up to and including the sixth power of the shear rate magnitude. This work also completes previous findings that ended at the fourth power of the shear rate magnitude.