bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractBackground/ObjectivesIn 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.MethodsAs 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).ResultsThe 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).ConclusionsThis 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

AbstractA 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

AbstractMost 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

AbstractThe 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

AbstractLewis 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

AbstractWe 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

AbstractStudying 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

AbstractWe 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

AbstractSeveral 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

AbstractAstrovirus 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

AbstractPreservation 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

AbstractA 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

AbstractAnthropologists 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

AbstractMonte 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.