bluuebunny/crossref_metadata_2025 huggingface dataset:
Everyday Discrimination Typologies Among Older African Americans: Gender and Socioeconomic Status
Authors: Mouzon Dawne M , Taylor Robert Joseph , Nguyen Ann W , Ifatunji Mosi Adesina , Chatters Linda M
Published: July 2019

Objectives

Discrimination is associated with several negative social, economic, and health consequences. Past research focuses on the impact of discrimination while less is known about both the type and correlates of discrimination, particularly among older adults.

Methods

Using the National Survey of American Life, we used latent class analysis to identify discrimination typologies (frequency and type) among African Americans aged 55 and older. We then used multinomial logistic regression to identify demographic correlates of discrimination types, including a statistical interaction between gender and educational attainment.

Results

We identified three discrimination typologies. Increasing age was associated with lower probability of belonging to the high discrimination and disrespect and condescension subtypes. Men and non-Southern residents were most likely to belong in the high discrimination subtype. Higher levels of education increased the probability of belonging in the high discrimination and disrespect and condescension subtypes for older men, but not women.

Discussion

Older African American men, particularly those with more education, are vulnerable to both high-frequency discrimination and discrimination characterized by disrespect and condescension. This finding suggests that, for men with more years of education, increased exposure to discrimination reflects efforts to maintain social hierarchies (male target hypothesis).
Identifying, understanding, and correcting technical artifacts on the sex chromosomes in next-generation sequencing data
Authors: Webster Timothy H , Couse Madeline , Grande Bruno M , Karlins Eric , Phung Tanya N , Richmond Phillip A , Whitford Whitney , Wilson Melissa A
Published: July 2019

Background

Mammalian X and Y chromosomes share a common evolutionary origin and retain regions of high sequence similarity. Similar sequence content can confound the mapping of short next-generation sequencing reads to a reference genome. It is therefore possible that the presence of both sex chromosomes in a reference genome can cause technical artifacts in genomic data and affect downstream analyses and applications. Understanding this problem is critical for medical genomics and population genomic inference.

Results

Here, we characterize how sequence homology can affect analyses on the sex chromosomes and present XYalign, a new tool that (1) facilitates the inference of sex chromosome complement from next-generation sequencing data; (2) corrects erroneous read mapping on the sex chromosomes; and (3) tabulates and visualizes important metrics for quality control such as mapping quality, sequencing depth, and allele balance. We find that sequence homology affects read mapping on the sex chromosomes and this has downstream effects on variant calling. However, we show that XYalign can correct mismapping, resulting in more accurate variant calling. We also show how metrics output by XYalign can be used to identify XX and XY individuals across diverse sequencing experiments, including low- and high-coverage whole-genome sequencing, and exome sequencing. Finally, we discuss how the flexibility of the XYalign framework can be leveraged for other uses including the identification of aneuploidy on the autosomes. XYalign is available open source under the GNU General Public License (version 3).

Conclusions

Sex chromsome sequence homology causes the mismapping of short reads, which in turn affects downstream analyses. XYalign provides a reproducible framework to correct mismapping and improve variant calling on the sex chromsomes.
Toxins from scratch? Diverse, multimodal gene origins in the predatory robber fly Dasypogon diadema indicate a dynamic venom evolution in dipteran insects
Authors: Drukewitz Stephan Holger , Bokelmann Lukas , Undheim Eivind A B , von Reumont Björn M
Published: July 2019

Background

Venoms and the toxins they contain represent molecular adaptations that have evolved on numerous occasions throughout the animal kingdom. However, the processes that shape venom protein evolution are poorly understood because of the scarcity of whole-genome data available for comparative analyses of venomous species.

Results

We performed a broad comparative toxicogenomic analysis to gain insight into the genomic mechanisms of venom evolution in robber flies (Asilidae). We first sequenced a high-quality draft genome of the hymenopteran hunting robber fly Dasypogon diadema, analysed its venom by a combined proteotranscriptomic approach, and compared our results with recently described robber fly venoms to assess the general composition and major components of asilid venom. We then applied a comparative genomics approach, based on 1 additional asilid genome, 10 high-quality dipteran genomes, and 2 lepidopteran outgroup genomes, to reveal the evolutionary mechanisms and origins of identified venom proteins in robber flies.

Conclusions

While homologues were identified for 15 of 30 predominant venom protein in the non-asilid genomes, the remaining 15 highly expressed venom proteins appear to be unique to robber flies. Our results reveal that the venom of D. diadema likely evolves in a multimodal fashion comprising (i) neofunctionalization after gene duplication, (ii) expression-dependent co-option of proteins, and (iii) asilid lineage-specific orphan genes with enigmatic origin. The role of such orphan genes is currently being disputed in evolutionary genomics but has not been discussed in the context of toxin evolution. Our results display an unexpected dynamic venom evolution in asilid insects, which contrasts the findings of the only other insect toxicogenomic evolutionary analysis, in parasitoid wasps (Hymenoptera), where toxin evolution is dominated by single gene co-option. These findings underpin the significance of further genomic studies to cover more neglected lineages of venomous taxa and to understand the importance of orphan genes as possible drivers for venom evolution.
Comparison of VITEK® 2, three different gradient strip tests and broth microdilution for detecting vanB-positive Enterococcus faecium isolates with low vancomycin MICs
Authors: Klare Ingo , Bender Jennifer K , Fleige Carola , Kriebel Nancy , Hamprecht Axel , Gatermann Sören , Werner Guido
Published: July 2019

Objectives

In 2018, EUCAST issued a warning regarding unreliable results of gradient strip tests for confirming vancomycin resistance in enterococci. We compared the performance of various diagnostic standard and confirmatory tests to identify and determine vanB-type vancomycin resistance.

Methods

We analysed a collection of vanB-positive Enterococcus faecium isolates (n = 68) with low vancomycin MICs and compared the performance of VITEK® 2 (bioMérieux), broth microdilution and three gradient strip tests from different providers (Oxoid, Liofilchem and bioMérieux). For the latter we compared the standard procedure with a protocol with increased inoculum, a rich agar medium and a longer incubation time (‘macromethod’).

Results

The sensitivity of VITEK® 2 was 81% compared with 72% for broth microdilution and 61%–63% for the three gradient strip tests using standard conditions. The macromethod substantially improved the performance of all strip tests resulting in a sensitivity of 89%–96% after 48 h of incubation.

Conclusions

We recommend that EUCAST changes the present warning against the general use of MIC strips. When MIC strips are used to either exclude or confirm suspected vancomycin resistance in E. faecium, and a PCR is not available, the macromethod should be employed. For clinically relevant enterococci, where a rapid therapeutic decision is needed, a molecular test (e.g. PCR) should be favoured in order to save time and to further increase sensitivity.
The Rulings of the Israeli Military Courts and International Law
Authors: Ramati Nery
Published: July 2019

International humanitarian law (IHL) provides the occupying power extensive legal tools in order to allow it to control and govern the local occupied population, with the possibility of establishing a military law system being one of the most influential. The military law system gives the Military Commander of the occupied area an immense power as a potential legislator and judicial authority, but what happens when this legal system encounters the limitations placed by IHL in general and Occupation Law in particular? To examine this question, this article will present the case of the Israeli Military Court system in the Palestinian Occupied Territories and its use, abuse and misuse of international law norms. Based on the 5565 published rulings of the Military Court of Appeals, this research identifies all of the cases that refer to international law. This article suggests that the evolving approaches of the courts to international law are, in fact, a tool to justify and advance Israeli interests over the rights of the Palestinian defendants. Moreover, the article presents the potential impact these rulings have on the law in Palestine, the law in Israel and customary international law.
When Ventricular Cerebrospinal Fluid Assessment Misleads: Basal Meningitis and the Importance of Lumbar Puncture Sampling
Authors: Khan Sadid F , Macauley Thornton , Tong Steven Y C , Xie Ouli , Hughes Carly , Hall Nicholas D P , Mahanty Siddhartha , Jennens Ian , Street Alan C
Published: July 2019

The diagnosis of central nervous system (CNS) infection relies upon analysis of cerebrospinal fluid (CSF). We present 4 cases of CNS infections associated with basal meningitis and hydrocephalus with normal ventricular CSF but grossly abnormal lumbar CSF. We discuss CSF ventricular–lumbar composition gradients and putative pathophysiological mechanisms and highlight clinical clues for clinicians.
Developing a Financial Literacy Program with Survivors of Intimate Partner Violence: The Voices of Survivors
Authors: Stylianou Amanda M , Counselman-Carpenter Elisabeth , Redcay Alex
Published: July 2019

As the social work field increasingly recognizes economic abuse within intimate partner relationships, the field has developed financial empowerment programs to empower survivors for their financial future. Although research has demonstrated the effectiveness of financial literacy programs, there are barriers to their implementation in the field. Studies have explored, from the perspective of advocates, best practices in incorporating financial literacy into services; however, no studies have explored implementation approaches from the perspective of survivors. This study explores, from the perspective of 34 survivors, approaches for implementing financial literacy programming. Participants described their understanding of financial empowerment as being in charge of finances, having financial power, and not having to endure the struggle. To counter financial disempowerment, participants identified the need for financial confidence, knowledge, and tools. Participants shared their strategies for saving money, though many participants reported barriers to using banks as savings tools. Almost all participants stressed the importance of financial literacy services for survivors, especially around banking, credit, and debt. Finally, participants shared recommendations for job readiness and training programming. Findings have implications for domestic violence and broader social work organizations implementing financial empowerment services. Social workers can support financial empowerment efforts through program development and research efforts.
Association of Regional Cranial Base Deformity and Ultimate Structure in Crouzon Syndrome
Authors: Lu Xiaona , Jorge Forte Antonio , Sawh-Martinez Rajendra , Wu Robin , Cabrejo Raysa , Steinbacher Derek M. , Alperovich Michael , Alonso Nivaldo , Persing John A.
Published: July 2019

Background:

Considerable craniofacial features of Crouzon syndrome are attributed to the dysmorphology of the cranial base. As cephalometric studies have focused mainly on the facial deformity, rather than the cranial base, the underlying cause of deformity is not as well understood. Therefore, the authors compared the cranial base development of Crouzon syndrome to controls to trace the timing of deformity in the cranial base and face, to analyze their temporal correlation.

Methods:

Ninety computed tomographic scans were included (Crouzon, n = 36; controls, n = 54) and divided into five age subgroups. Craniofacial cephalometric measurements were analyzed by Materialise software.

Results:

The overall cranial base length in Crouzon syndrome compared with controls decreased 8 percent (p = 0.014) on average. The posterior cranial fossa shortening accounted for most of this reduction. The cranial base displaced with the distances from basion, sella, and ethmosphenoid to posterior nasal spine shortened by 21%, 18%, and 16%, respectively (all p < 0.01) during life. Although the cranial base angle on intracranial surface remains normal, the angles on facial surface narrowed were reduced.

Conclusions:

The cranial base deformity of Crouzon syndrome consists of the whole skull base and particularly anterior skull base shortening early, leading to a compensatory widened anterior skull base. However, when this widening did not compensate fully for the rapid enlargement of the brain, the posterior skull base displaced inferiorly and became kyphotic. The cranial base deformity develops sequentially anterior to posterior in a probable cascade of influence pattern.

CLINICAL QUESTION/LEVEL OF EVIDENCE:

Risk, II.
Robust odor coding across states in piriform cortex requires recurrent circuitry: evidence for pattern completion in an associative network
Authors: Bolding Kevin A. , Nagappan Shivathmihai , Han Bao-Xia , Wang Fan , Franks Kevin M.
Published: July 2019

Pattern completion, or the ability to retrieve stable neural activity patterns from noisy or partial cues, is a fundamental feature of memory. Theoretical studies indicate that recurrently connected auto-associative or discrete attractor network models can perform this process. Although phenomenological evidence for pattern completion and attractor dynamics have been described in various recurrent neural circuits, the crucial role that recurrent circuitry plays in implementing these processes has not been shown. Here we show that although odor representations in mouse olfactory bulb degrade under anesthesia, responses in downstream piriform cortex remain robust. Recurrent connections are required to stabilize cortical odor representations across states. Moreover, piriform odor representations exhibit attractor dynamics, both within and across trials, and these are also abolished when recurrent circuitry is eliminated. Thus, an auto-associative cortical circuit stabilizes output in response to degraded input, and the recurrent circuitry that defines these networks is required for this stabilization.
Competitive dewetting underlies site-specific binding of general anesthetics to GABA(A) receptors
Authors: Murlidaran Sruthi , Hénin Jérôme , Brannigan Grace
Published: July 2019

GABA(A) receptors are pentameric ligand-gated ion channels playing a critical role in the modulation of neuronal excitability. These inhibitory receptors, gated by γ-aminobutyric acid (GABA), can be potentiated and even directly activated by intravenous and inhalational anesthetics. Intersubunit cavities in the transmembrane domain have been consistently identified as putative binding sites by numerous experiment and simulation results. Synaptic GABA(A) receptors are predominantly found in a 2α:2β:1γ stoichiometry, with four unique inter-subunit interfaces. Experimental and computational results have suggested a perplexing specificity, given that cavity-lining residues are highly conserved, and the functional effects of general anesthetics are only weakly sensitive to most mutations of cavity residues. Here we use Molecular Dynamics simulations and thermodynamically rigorous alchemical free energy perturbation (AFEP) techniques to calculate affinities of the intravenous anesthetic propofol and the inhaled anesthetic sevoflurane to all intersubunit sites in a heteromeric GABA(A) receptor. We find that the best predictor of general anesthetic affinity for the intersubunit cavity sites is water displacement: combinations of anesthetic and binding site that displace more water molecules have higher affinities than those that displace fewer. The amount of water displacement is, in turn, a function of size of the general anesthetic, successful competition of the general anesthetic with water for the few hydrogen bonding partners in the site, and inaccessibility of the site to lipid acyl chains. The latter explains the surprisingly low affinity of GAs for the γ − α intersubunit site, which is missing a bulky methionine residue at the cavity entrance and can be occupied by acyl chains in the unbound state. Simulations also identify sevoflurane binding sites in the β subunit centers and in the pore, but predict that these are lower affinity than the intersubunit sites.

Significance

After over a century of research, it is established that general anesthetics interact directly with hydrophobic cavities in proteins. We still do not know why not all small hydrophobic molecules can act as general anesthetics, or why not all hydrophobic cavities bind these molecules. General anesthetics can even select among homologous sites on one critical target, the GABA(A) heteropentamer, although the origins of selectivity are unknown. Here we used rigorous free energy calculations to find that binding affinity correlates with the number of released water molecules, which in turn depends upon the lipid content of the cavity without bound anesthetic. Results suggest a mechanism that reconciles lipid-centered and protein-centered theories, and which can directly inform design of new anesthetics.
Defining Monocyte Differentiation into Colonic and Ileal Macrophages
Authors: Gross-Vered Mor , Trzebanski Sébastien , Shemer Anat , Bernshtein Biana , Curato Caterina , Stelzer Gil , Salame Tomer-Meir , David Eyal , Boura-Halfon Sigalit , Chappell-Maor Louise , Levkovits Dena , Jung Steffen
Published: July 2019

Monocytes are circulating short-lived macrophage precursors that are recruited on demand from the blood to sites of inflammation and challenge. In steady state, classical monocytes give rise to vasculature-resident cells that patrol the luminal side of the endothelium. In addition, classical monocytes feed macrophage compartments of selected organs, including barrier tissues, such as the skin and intestine, as well as the heart. Monocyte differentiation under conditions of inflammation has been studied in considerable detail. In contrast, monocyte differentiation under non-inflammatory conditions remains less well understood. Here we took advantage of a combination of cell ablation and precursor engraftment to investigate the generation of gut macrophages from monocytes. Collectively, we identify factors associated with the gradual adaptation of monocytes to tissue residency. Moreover, comparison of monocyte differentiation into the colon and ileum-resident macrophages revealed the graduated acquisition of gut segment-specific gene expression signatures.
Visual pigment evolution in Characiformes: the dynamic interplay of teleost whole-genome duplication, surviving opsins and spectral tuning
Authors: Escobar-Camacho Daniel , Carleton Karen L. , Narain Devika W. , Pierotti Michele E.R.
Published: July 2019

Vision represents an excellent model for studying adaptation, given the genotype-to-phenotype-map that has been characterized in a number of taxa. Fish possess a diverse range of visual sensitivities and adaptations to underwater light making them an excellent group to study visual system evolution. In particular, some speciose but understudied lineages can provide a unique opportunity to better understand aspects of visual system evolution such as opsin gene duplication and neofunctionalization. In this study, we characterized the visual system of Neotropical Characiformes, which is the result of several spectral tuning mechanisms acting in concert including gene duplications and losses, gene conversion, opsin amino acid sequence and expression variation, and A1/A2-chromophore shifts. The Characiforms we studied utilize three cone opsin classes (SWS2, RH2, LWS) and a rod opsin (RH1). However, the characiform’s entire opsin gene repertoire is a product of dynamic evolution by opsin gene loss (SWS1, RH2) and duplication (LWS, RH1). The LWS- and RH1-duplicates originated from a teleost specific whole-genome duplication as well as characiform-specific duplication events. Both LWS-opsins exhibit gene conversion and, through substitutions in key tuning sites, one of the LWS-paralogs has acquired spectral sensitivity to green light. These sequence changes suggest reversion and parallel evolution of key tuning sites. In addition, characiforms exhibited species-specific differences in opsin expression. Finally, we found interspecific and intraspecific variation in the use of A1/A2-chromophores correlating with the light environment. These multiple mechanisms may be a result of the highly diverse visual environments where Characiformes have evolved.
A unified role for membrane-cortex detachment during cell protrusion initiation
Authors: Welf Erik S. , Miles Christopher E. , Huh Jaewon , Driscoll Meghan K. , Isogai Tadamoto , Noh Jungsik , Weems Andrew D. , Chi Joseph , Pohlkamp Theresa , Dean Kevin , Fiolka Reto , Mogilner Alex , Danuser Gaudenz
Published: July 2019

Cell morphogenesis employs a diversity of membrane protrusions. They are discriminated by differences in force generation. Actin polymerization is the best studied mechanism of force generation, but growing interest in how variable molecular conditions and microenvironments alter morphogenesis has revealed other mechanisms, including intracellular pressure. Here, we show that local depletion of membrane cortex links is an essential step in the initiation of both pressure-based and actin-based protrusions. This observation challenges the quarter-century old Brownian ratchet model of actin-driven membrane protrusion, which requires an optimal balance of actin filament growth and membrane tethering. An updated model confirms membrane-filament detachment is necessary to activate the ratchet mechanism. These findings unify the regulation of different protrusion types, explaining how cells generate robust yet flexible strategies of morphogenesis.
Prefrontal somatostatin interneurons encode fear memory
Authors: Cummings Kirstie A. , Clem Roger L.
Published: July 2019

Theories stipulate that memories are encoded within networks of cortical projection neurons (PNs). Conversely, GABAergic interneurons (INs) are thought to function primarily to inhibit PNs and thereby impose network gain control, an important but purely modulatory role. However, we found that associative fear learning potentiates synaptic transmission and cue-specific activity of medial prefrontal cortex (mPFC) somatostatin interneurons (SST-INs), and that activation of these cells controls both memory encoding and expression. Furthermore, the synaptic organization of SST- and parvalbumin (PV)-INs provides a potential circuit basis for SST-IN-evoked disinhibition of mPFC output neurons and recruitment of remote brain regions associated with defensive behavior. These data suggest that rather than constrain mnemonic processing, potentiation of SST-IN activity represents an important causal mechanism for conditioned fear.
Massively parallel kinetic profiling of natural and engineered CRISPR nucleases
Authors: Jones Stephen K. , Hawkins John A. , Johnson Nicole V. , Jung Cheulhee , Hu Kuang , Rybarski James R. , Chen Janice S. , Doudna Jennifer A. , Press William H. , Finkelstein Ilya J.
Published: July 2019

Engineered Streptococcus pyogenes (Sp) Cas9s and Acidaminococcus sp. (As) Cas12a (formerly Cpf1) improve cleavage specificity in human cells. However, the fidelity, enzymatic mechanisms, and cleavage products of emerging CRISPR nucleases have not been profiled systematically across partially mispaired off-target DNA sequences. Here, we describe NucleaSeq— nuclease digestion and deep sequencing—a massively parallel platform that measures cleavage kinetics and captures the time-resolved identities of cleaved products for more than ten thousand DNA targets that include mismatches, insertions, and deletions relative to the guide RNA. The binding specificity of each enzyme is measured on the same DNA library via the chip-hybridized association mapping platform (CHAMP). Using this integrated cleavage and binding platform, we profile four SpCas9 variants and AsCas12a. Engineered Cas9s retain wtCas9-like off-target binding but increase cleavage specificity; Cas9-HF1 shows the most dramatic increase in cleavage specificity. Surprisingly, wtCas12a—reported as a more specific nuclease in cells—has cleavage specificity similar to wtCas9 in vitro. Initial cleavage position and subsequent end-trimming vary across nucleases, guide RNA sequences, and position and base identity of mispairs in target DNAs. Using these large datasets, we develop a biophysical model that reveals mechanistic insights into off-target cleavage activities by these nucleases. More broadly, NucleaSeq enables rapid, quantitative, and systematic comparison of the specificities and cleavage products of engineered and natural nucleases.
Estimates of genetic load suggest frequent purging of deleterious alleles in small populations
Authors: van der Valk Tom , de Manuel Marc , Marques-Bonet Tomas , Guschanski Katerina
Published: July 2019

It is commonly thought that declining populations will experience negative genetic consequences as a result of increased inbreeding. Here we estimated the average deleteriousness of derived alleles in a range of mammals and found that species with historically small population size and low genetic diversity often have lower genetic load than species with large population sizes. This is likely the result of genetic purging – the more efficient removal of partially deleterious recessive alleles from inbred populations. Our findings suggest that genetic purging occurs over long evolutionary time frames, and therefore rapid population declines are likely to dis-proportionally increase mutational load in species with high diversity, as they carry many deleterious alleles that can reach fixation before genetic purging can remove them.
The SMC complex, MukBEF, organizes theEscherichia colichromosome by forming an axial core
Authors: Mäkelä Jarno , Sherratt David J.
Published: July 2019

Structural Maintenance of Chromosomes (SMC) complexes organize and individualize chromosomes ubiquitously, thereby contributing to their faithful segregation. Here we explore howEscherichia colichromosome organization emerges from the action of the SMC complex MukBEF, using quantitative imaging in cells with increased MukBEF occupancy on the chromosome. We demonstrate that theE. colichromosome is organized as series of loops around a thin axial MukBEF core whose length is ~1100 times shorter than the chromosomal DNA. The core is linear (1 μm), or circular (1.5 μm) in the absence of MatP, which displaces MukBEF from the 800 kbp replication termination region (ter). Our findings illustrate how MukBEF compacts the chromosome lengthwise and demonstrate how displacement of MukBEF fromterpromotes MukBEF enrichment with the replication origin.
Genomic signature of shifts in selection in a sub-alpine ant and its physiological adaptations
Authors: Cicconardi Francesco , Krapf Patrick , D’Annessa Ilda , Gamisch Alexander , Wagner Herbert C , Nguyen Andrew D , Economo Evan P , Mikheyev Alexander S , Guénard Benoit , Grabherr Reingard , Arthofer Wolfgang , di Marino Daniele , Steiner Florian M , Schlick-Steiner Birgit C
Published: July 2019

Understanding how organisms adapt to extreme environments is fundamental and can provide insightful case studies for both evolutionary biology and climate-change biology. Here, we take advantage of the vast diversity of lifestyles in ants to identify genomic signatures of adaptation to extreme habitats such as high altitude. We hypothesised two parallel patterns would occur in a genome adapting to an extreme habitat: i) strong positive selection on genes related to adaptation and, ii) a relaxation of previous purifying selection. We tested this hypothesis by sequencing the high-elevation specialist Tetramorium alpestre and four other phylogenetic related species. In support of our hypothesis, we recorded a strong shift of selective forces in T. alpestre, in particular a stronger magnitude of diversifying and relaxed selection when compared to all other ants. We further disentangled candidate molecular adaptations in both gene expression and protein-coding sequence that were identified by our genome-wide analyses. In particular, we demonstrate that T. alpestre has i) a derived level of expression for stv and other heat-shock proteins in chill shock tests, and ii) enzymatic enhancement of Hex-T1, a rate-limiting regulatory enzyme that controls the entry of glucose into the glycolytic pathway. Together, our analyses highlight the adaptive molecular changes that support colonisation of high-altitude environments.
Predicting Meridian in Chinese Traditional Medicine Using Machine Learning Approaches
Authors: Wang Yinyin , Jafari Mohieddin , Tang Yun , Tang Jing
Published: July 2019

Plant-derived nature products, known as herb formulas, have been commonly used in Traditional Chinese Medicine (TCM) for disease prevention and treatment. The herbs have been traditionally classified into different categories according to the TCM Organ systems known as Meridians. Despite the increasing knowledge on the active components of the herbs, the rationale of Meridian classification remains poorly understood. In this study, we took a machine learning approach to explore the classification of Meridian. We determined the molecule features for 646 herbs and their active components including structure-based fingerprints and ADME properties (absorption, distribution, metabolism and excretion), and found that the Meridian can be predicted by machine learning approaches with a top accuracy of 0.83. We also identified the top compound features that were important for the Meridian prediction. To the best of our knowledge, this is the first time that molecular properties of the herb compounds are associated with the TCM Meridians. Taken together, the machine learning approach may provide novel insights for the understanding of molecular evidence of Meridians in TCM.

Author Summary

In East Asia, plant-derived natural products, known as herb formulas, have been commonly used as Traditional Chinese Medicine (TCM) for disease prevention and treatment. According to the theory of TCM, herbs can be classified as different Meridians according to the balance of Yin and Yang, which are commonly understood as metaphysical concepts. Therefore, the scientific rational of Meridian classification remains poorly understood. The aim of our study was to provide a computational means to understand the classification of Meridians. We showed that the Meridians of herbs can be predicted by the molecular and chemical features of the ingredient compounds, suggesting that the Meridians indeed are associated with the properties of the compounds. Our work provided a novel chemoinformatics approach which may lead to a more systematic strategy to identify the mechanisms of action and active compounds for TCM herbs.
Hormones and the Human Alpha Female
Authors: Sumra Monika K.
Published: July 2019

The concept of the alpha female has become widely accepted as a form of female identity in the West. Though relationships between hormone concentrations and alpha-related traits have been demonstrated in alpha nonhuman primates, this has not been examined in the case of the human alpha female. The present study examined the associations of testosterone and cortisol, as well as 3 other hormones, estradiol, oxytocin, and progesterone derived from hair samples, with 11 variables related to the expression of the alpha female identity in a small non-random sample (N=126) of self-identified alpha and non-alpha women in North America. The results revealed statistically significant differences between these groups. When compared to non-alpha women, alpha women scored higher than non-alphas in measures for masculinity, leadership, low introversion, self-esteem, and exhibited lower hair cortisol levels. Alphas exhibited slightly lower estradiol and oxytocin levels than non-alphas though these differences were non-significant. Similar non-significant differences were also found in the case of sexual experience, sexual dominance, testosterone, and progesterone. Though cortisol was not associated with masculine traits, it was positively and significantly associated with leadership. Cortisol was also negatively and significantly associated with strength and a measure for femininity. Progesterone, testosterone, and oxytocin were positively and significantly associated with enjoying sex, as was oxytocin with playing a dominant role in sexual encounters. Surprisingly, testosterone was not associated with alpha status nor with the measure of masculinity, and estradiol was not associated with any of the variables. The results imply that women who identify as alpha may experience less physiological stress than non-alpha females as measured by their lower cortisol levels.
A comparative anatomy of protein crystals: lessons from the automatic processing of 56 000 samples
Authors: Svensson Olof , Gilski Maciej , Nurizzo Didier , Bowler Matthew W.
Published: July 2019

The fully automatic processing of crystals of macromolecules has presented a unique opportunity to gather information on the samples that is not usually recorded. This has proved invaluable in improving sample-location, characterization and data-collection algorithms. After operating for four years, MASSIF-1 has now processed over 56 000 samples, gathering information at each stage, from the volume of the crystal to the unit-cell dimensions, the space group, the quality of the data collected and the reasoning behind the decisions made in data collection. This provides an unprecedented opportunity to analyse these data together, providing a detailed landscape of macromolecular crystals, intimate details of their contents and, importantly, how the two are related. The data show that mosaic spread is unrelated to the size or shape of crystals and demonstrate experimentally that diffraction intensities scale in proportion to crystal volume and molecular weight. It is also shown that crystal volume scales inversely with molecular weight. The results set the scene for the development of X-ray crystallography in a changing environment for structural biology.
Crystal structure of bis[dihydrobis(pyrazol-1-yl)borato-κ2
N
2,N
2′](1,10-phenanthroline-κ2
N,N′)zinc(II)
Authors: Ossinger Sascha , Näther Christian , Tuczek Felix
Published: July 2019

The asymmetric unit of the title compound, [Zn(C6H8N4B)2(C12H8N2)], comprises one half of a ZnII cation (site symmetry 2), one dihydrobis(pyrazol-1-yl)borate ligand in a general position, and one half of a phenanthroline ligand, the other half being completed by twofold rotation symmetry. The ZnII cation is coordinated in form of a slightly distorted octahedron by the N atoms of a phenanthroline ligand and by two pairs of N atoms of symmetry-related dihydrobis(pyrazol-1-yl)borate ligands. The discrete complexes are arranged into columns that elongate in the c-axis direction with a parallel alignment of the phenanthroline ligands, indicating weak π–π interactions.
Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines
Authors: Peloquin Andrew J. , Corley Cynthia A. , Adas Sonya K. , Balaich Gary J. , Iacono Scott T.
Published: July 2019

Five new crystal structures of perfluoropyridine substituted in the 4-position with phenoxy, 4-bromophenoxy, naphthalen-2-yloxy, 6-bromonaphthalen-2-yloxy, and 4,4′-biphenoxy are reported, viz. 2,3,5,6-tetrafluoro-4-phenoxypyridine, C11H5F4NO (I), 4-(4-bromophenoxy)-2,3,5,6-tetrafluoropyridine, C11H4BrF4NO (II), 2,3,5,6-tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine, C15H7F4NO (III), 4-[(6-bromonaphthalen-2-yl)oxy]-2,3,5,6-tetrafluoropyridine, C15H6BrF4NO (IV), and 2,2′-bis[(perfluoropyridin-4-yl)oxy]-1,1′-biphenyl, C22H8F8N2O2 (V). The dihedral angles between the aromatic ring systems in I–IV are 78.74 (8), 56.35 (8), 74.30 (7), and 64.34 (19)°, respectively. The complete molecule of V is generated by a crystallographic twofold axis: the dihedral angle between the pyridine ring and adjacent phenyl ring is 80.89 (5)° and the equivalent angle between the biphenyl rings is 27.30 (5)°. In each crystal, the packing is driven by C—H...F interactions, along with a variety of C—F...π, C—H...π, C—Br...N, C—H...N, and C—Br...π contacts. Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing.
Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one
Authors: Syed Abuthahir S. , NizamMohideen M. , Mayakrishnan S. , Uma Maheswari N. , Viswanathan V.
Published: July 2019

The title compounds, 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one, C22H17NO2, (I), and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one, C14H17NO2, (II), are new isocoumarin derivatives in which the isochromene ring systems are planar. Compound II crystallizes with two independent molecules (A and B) in the asymmetric unit. In I, the two phenyl rings are inclined to each other by 56.41 (7)° and to the mean plane of the 1H-isochromene ring system by 67.64 (6) and 44.92 (6)°. In both compounds, there is an intramolecular N—H...O hydrogen bond present forming an S(6) ring motif. In the crystal of I, molecules are linked by N—H...π interactions, forming chains along the b-axis direction. A C—H...π interaction links the chains to form layers parallel to (100). The layers are then linked by a second C—H...π interaction, forming a three-dimensional structure. In the crystal of II, the two independent molecules (A and B) are linked by N—H...O hydrogen bonds, forming –A–B–A–B– chains along the [101] direction. The chains are linked into ribbons by C—H...π interactions involving inversion-related A molecules. The latter are linked by offset π–π interactions [intercentroid distances vary from 3.506 (1) to 3.870 (2) Å], forming a three-dimensional structure.
Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2H-chromen-4-yl)oxy]acetic acid dimethyl sulfoxide monosolvate
Authors: Syed Abuthahir S. , NizamMohideen M. , Viswanathan V. , Govindhan M. , Subramanian K.
Published: July 2019

The title compound, C11H8O5·(CH3)2SO, is a new coumarin derivative. The asymmetric unit contains two coumarin molecules (A and B) and two dimethylsulfoxide solvent molecules (A and B). The dihedral angle between the pyran and benzene rings in the chromene moiety is 3.56 (2)° for molecule A and 1.83 (2)° for molecule B. In molecule A, the dimethyl sulfoxide sulfur atom is disordered over two positions with a refined occupancy ratio of 0.782 (5):0.218 (5). In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains running along the c-axis direction. The chains are linked by C—H...O hydrogen bonds, forming layers parallel to the ac plane. In addition, there are also C—H...π and π–π interactions present within the layers. The intermolecular contacts in the crystal have been analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots, which indicate that the most important contributions to the packing are from H...H (33.9%) and O...H/H...O (41.2%) contacts.
A SAP-LAP linkages framework for integrating Industry 4.0 and circular economy
Authors: Chauhan Chetna , Sharma Abhishek , Singh Amol
Published: July 2019

Purpose

In the recent years, the two increasingly popular topics, namely, Industry 4.0 and circular economy (CE) have attracted the attention of many academicians and practitioners. However, the connection between CE and Industry 4.0 has not been much investigated in the literature. Motivated by this gap, the purpose of this paper is to integrate these two streams and attempt to understand the new paradigm of Industry 4.0 for resolving the issues pertaining to CE principles.

Design/methodology/approach

The study uses situation, actor, process, learning, action, performance (SAP-LAP) linkages framework to analyze the applications of Industry 4.0 mechanisms in realizing the issues of current CE business models. This is done through the interpretation of the cross-interaction and self-interaction relationships among the different interfaces/elements of SAP-LAP.

Findings

The results suggest that top managers are the most essential actors for integrating the use of Industry 4.0 to achieve sustainability, in the light of CE. In addition, advanced technologies such as Internet of Things and cyber-physical systems are the most important Industry 4.0 actions that help in improving the CE performance parameters.

Research limitations/implications

This qualitative study is an attempt to analyze and assess the strategic issues pertaining to Industry 4.0 standards in CE. The study identifies learnings (challenges/opportunities) and the corrective actions which are imperative toward achieving CE principles. This study will guide managers and policymakers to understand the importance of implementing Industry 4.0 for accomplishing CE principles.

Originality/value

This study integrates two important streams of literature – Industry 4.0 and CE. Thus, this paper offers insights about the importance of Industry 4.0 standards in achieving CE principles.
Diversity and return: the impact of diversity of board members’ education on performance
Authors: Boadi Isaac , Osarfo Daniel
Published: July 2019

Purpose

This paper aims to examine the impact of diversity of board members’ educational qualifications on the financial performance of banks in Ghana.

Design/methodology/approach

The present study applies system generalized methods of moments as an econometric model in carrying out the analysis. The study yielded a usable sample of 28 banks spanning from 2001 to 2016.

Findings

The paper concludes that the Ghanaian banking sector profit diverges and invalidates the convergence theory or “catch-up effect”. Specifically, educational qualifications of board members are relevant to banks’ financial performance. Across all the models used, board members with a first degree have a significant positive impact on performance. The opposite is the case for board members with Doctor of Philosophy (PhD).

Research limitations/implications

Unobservable characteristics such as entrepreneurial skills and intellectual competence experiences are excluded from the study because of the difficulties in measuring these variables. Notwithstanding, the exclusion of these characteristics does not invalidate the general outcome of the study.

Originality/value

The present study examines the impact of diversity of board members’ educational qualification on financial performance in the context of Sub-Saharan Africa, particularly Ghana. It also extends the existing literature by decomposing the banking sector into listed, non-listed, foreign and domestic banks.
A case study in developing an interdisciplinary learning experiment between architecture, building construction, and construction engineering and management education
Authors: Ali Ahmed K.
Published: July 2019

Purpose

The purpose of this paper is to highlight the value of interdisciplinary learning specifically in the architecture (ARCH), building construction (BC) and construction management and engineering (CEM) disciplines within the USA’s higher education system. The study attempts to expand the existing literature on integrated design and construction education and offer an alternative model for academic students’ collaboration when restructuring curriculums is not possible in the short term.

Design/methodology/approach

The study adopted a qualitative research methodology, which involved designing a structured learning experiment, then followed it with collecting the “lived experience” of 31 participants from three majors according to the institution’s institution review board (IRB) office’s guidelines. The author hypothesized that students from different, but related disciplines working on a real-life project, would better understand the value of each other’s knowledge brought to the teamwork before graduation. The data were analyzed and compared to existing literature on integrated project delivery, and collaborative learning models. Data collection (surveys) was approved by the higher education’s IRB No. 13-021.

Findings

Despite the already-existing curriculum obstacles, the majority of students were very pleased with this collaborative experiment. The results confirmed many of the expectations about how students viewed each other’s discipline. The preconceived notions were dissipated at the end of the study, and students expressed more appreciation for each other’s field and expressed interest in learning more about the thought processes of other disciplines.

Research limitations/implications

Typical conflicting academic schedules were the greatest obstacle in this experiment. Architecture students often devote majority of their time to design studios and therefore are unable to fully engage in an integrated capstone project like this one as extracurricular. Because of the chosen research approach, the research results may lack generalizability. Therefore, researchers are encouraged to test the proposed propositions further.

Practical implications

It is possible to develop a successful collaborative experience in the architecture, engineering and construction higher education system without major restructuring of the curriculums. The impact on students’ learning experience is greater than the existing separated education model.

Originality/value

This paper fulfills an identified need to study how integrated design and construction education occurs without creating new dedicated programs or coursework.
Victims’ experiences and satisfaction with a family justice center
Authors: Melton Heather
Published: July 2019

Purpose

The family justice center (FJC) model centralizes social and legal services available to intimate partner abuse (IPA) victims in order to facilitate their help-seeking and improve their experiences and the response to IPA. Little, yet promising, research has highlighted the effectiveness of this model. The purpose of this paper is to explore experiences of victims of IPA at one FJC.

Design/methodology/approach

In total, 24 respondents who utilized a FJC in a western county in the USA were interviewed using a survey that included both descriptive quantitative and qualitative questions. Descriptive analysis was performed on the quantitative portion and content analysis on the qualitative portion.

Findings

Most of the respondents used the FJC multiple times and for multiple services. Most were referred by a shelter or a hotline. The most common services used were housing services, followed by counseling. Overall, these respondents felt supported by FJC staff and were satisfied. However, some of the respondents who did indicate satisfaction in the quantitative portion of the survey expressed concerns in the qualitative portion.

Research limitations/implications

The study is limited by a small sample size; however, it has implications for recruitment, outreach and training as well as methodological implications for how FJCs should be evaluated.

Originality/value

This paper adds to the scant literature on FJCs and the FJC model.