bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, characterization and optical property investigation of CdS nanoparticles
Authors: Bharti D.B. , Bharati Avinash V. , Wankhade Atul V.
Published: October 2018

Microwave‐assisted routes have attracted much attention for nanoparticle synthesis because of minimal solvent use and rapid, high efficiency and controlled morphology. Cadmium sulphide (CdS) nanoparticles form the line between bulk and molecular states of materials and show variation in their physical and chemical properties. Cadmium sulphate and thiourea were used as precursors during this synthesis. These are included in the category of practical semiconductor metal sulphides, which are extensively used as catalysts and optical materials. X‐ray diffraction (XRD) patterns confirmed that CdO nanoparticles are crystalline and have a hexagonal phase with crystal sizes that agree with transmission electron microscopy (TEM) data. UV–visible spectroscopy and photoluminescence (PL) spectroscopy were used to evaluate optical properties using band gap energy measurements.
Development and validation of an undergraduate laboratory activity exploring the dna analysis of pet food
Authors: Waldo Jennifer Turner , Pereira Melanie , Rahman Mohammad , Siconolfi Jessica
Published: October 2018

A novel experiment has been developed with a goal of enhancing engagement and deepening understanding of fundamental molecular biology concepts. In this laboratory activity, students investigate the composition of pet foods through quantitative polymerase chain reaction (qPCR) analysis. By conducting this experiment, students address a scientific question that has the potential to be of personal interest and they gain an appreciation of the power of genetic analysis. To develop this activity, ingredient lists of popular pet foods were surveyed and eight different components were selected to be the subject of inquiry. Reaction conditions for qPCR were validated and optimized, and a simple, efficient, and student‐friendly protocol was developed. A cohort of upper‐level biology students extracted DNA from pet foods and conducted the qPCR reactions. Specificity of amplification was determined by conducting melting point analysis and agarose gel electrophoresis of the products. Student reactions were analyzed and efficacy of this approach for deepening understanding of fundamental biochemical and molecular biology concepts was documented. © 2018 International Union of Biochemistry and Molecular Biology, 46(5):536–546, 2018.
Clinical characteristics and quality of life in Chinese patients with multiple system atrophy
Authors: Du Juan‐Juan , Wang Tian , Huang Pei , Cui Shishuang , Gao Chao , Lin Yiqi , Fu Rao , Zhou Haiyan , Chen Shengdi
Published: October 2018

Objectives

Multiple system atrophy (MSA) is a progressive neurodegenerative disorder that causes early sustained disability and poor health‐related quality of life (HrQoL). The clinical features and their effects on the HrQoL of patients in China have received little attention in the research literature. We evaluated the clinical characteristics and HrQoL of Chinese patients with MSA.

Materials and Methods

A total of 143 patients with MSA from the Department of Neurology, Shanghai Ruijin Hospital, were enrolled in the study from March 2014 to May 2017. Basic demographic data, motor symptoms, non‐motor symptoms, and HrQoL were assessed and compared with data from 198 patients with idiopathic Parkinson's disease (PD) who were matched by age, gender, and disease duration. Factors influencing the HrQoL of MSA patients were also analyzed.

Results

The ratio of patients with predominant parkinsonism (MSA‐P) and prominent cerebellar ataxia (MSA‐C) was 95:48 among the 143 MSA patients. MSA‐P patients had a longer disease duration (p = 0.002), higher levodopa equivalent daily dose (p < 0.001), higher scores on the Unified Multiple System Atrophy Rating Scale (UMSARS) I (p = 0.026), UMSARS II (p < 0.001), UMSARS IV (p = 0.019), the Hamilton Rating Scale for Depression (p = 0.001), the Hamilton Anxiety Scale (p = 0.013), and lower scores on measures of olfaction (p = 0.021) and cognitive function (p = 0.044) than the MSA‐C patients. Stepwise regression analysis showed that depression, anxiety, degree of disability, and disease severity were independent predictors of decreased HrQoL.

Conclusions

The results indicate that MSA‐P patients have more severe motor impairment, hyposmia, depression, anxiety, cognitive impairment, and lower HrQoL than MSA‐C patients. Depression, anxiety, degree of disability, and disease severity are predictors of poor HrQoL among Chinese patients with MSA.
Worry is associated with inefficient functional activity and connectivity in prefrontal and cingulate cortices during emotional interference
Authors: Barker Holly , Munro James , Orlov Natasza , Morgenroth Elenor , Moser Jason , Eysenck Michael W. , Allen Paul
Published: October 2018

Introduction

Anxiety is known to impair attentional control particularly when Task demands are high. Neuroimaging studies generally support these behavioral findings, reporting that anxiety is associated with increased (inefficient) activity in dorsolateral prefrontal cortex (DLPFC) and anterior cingulate cortex (ACC) during attentional control Tasks. However, less is known about the relationship between worry (part of the cognitive dimension of trait anxiety) and DLPFC/ACC function and connectivity during attentional control. In the present study, we sought to clarify this relationship.

Methods

Forty‐one participants underwent functional magnetic resonance imaging (fMRI) during a composite Faces and Scenes Task with high and low emotional interference conditions. Individual worry levels were assessed using the Penn State Worry Questionnaire.

Results

During high but not low emotional interference, worry was associated with increased activity in ACC, DLPFC, insula, and inferior parietal cortex. During high emotional interference, worry was also associated with reduced functional connectivity between ACC and DLPFC. Trait anxiety was not associated with changes in DLPFC/ACC activity or connectivity during either Task condition.

Conclusions

The results are consistent with cognitive models that propose worry competes for limited processing resources resulting in inefficient DLPFC and ACC activity when Tasks demands are high. Limitations of the present study and directions for future work are discussed.
Sex‐biased gene expression in the frontal cortex of common marmosets (Callithrix jacchus) and potential behavioral correlates
Authors: Nogueira Viviane Brito , Imparato Danilo Oliveira , de Souza Sandro José , de Sousa Maria Bernardete Cordeiro
Published: October 2018

Introduction

The common marmoset (Callithrix jacchus), a small New World monkey, has been widely used as a biological model in neuroscience to elucidate neural circuits involved in cognition and to understand brain dysfunction in neuropsychiatric disorders. In this regard, the availability of gene expression data derived from next‐generation sequencing (NGS) technologies represents an opportunity for a molecular contextualization. Sexual dimorphism account for differences in diseases prevalence and prognosis. Here, we explore sex differences on frontal cortex of gene expression in common marmoset's adults.

Methods

Gene expression profiles in six different tissues (cerebellum, frontal cortex, liver, heart, and kidney) were analyzed in male and female marmosets. To emphasize the translational value of this species for behavioral studies, we focused on sex‐biased gene expression from the frontal cortex of male and female in common marmosets and compared to humans (Homo sapiens).

Results

In this study, we found that frontal cortex genes whose expression is male‐biased are conserved between marmosets and humans and enriched with “house‐keeping” functions. On the other hand, female‐biased genes are more related to neural plasticity functions involved in remodeling of synaptic circuits, stress cascades, and visual behavior. Additionally, we developed and made available an application—the CajaDB—to provide a friendly interface for genomic, expression, and alternative splicing data of marmosets together with a series of functionalities that allow the exploration of these data. CajaDB is available at cajadb.neuro.ufrn.br.

Conclusion

The data point to differences in gene expression of male and female common marmosets in all tissues analyzed. In frontal cortex, female‐biased expression in synaptic plasticity, stress, and visual processing might be linked to biological and behavioral mechanisms of this sex. Due to the limited sample size, the data here analyzed are for exploratory purposes.
Radicalized risk assessment
Authors: Kaye Anders
Published: October 2018

In not too long, our system of criminal justice will abandon the mythology of blameworthiness and desert, and not too long after that we will look back on retributive criminal justice with shuddering astonishment. Now, approaching the cusp of change, we have the unusual and ephemeral opportunity to observe and study criminal justice on the way to a paradigm shift, and to think about how the system we have will become the system to come. How will the retributivism we take for granted today be transformed into something different tomorrow? In this paper, I suggest that one of the drivers of the change to come lies in the use of empirically‐informed risk assessment technologies in American criminal justice. As they develop, such technologies will inevitably smuggle radically transformative information about human wrongdoing into the criminal justice system and into our thinking about criminal justice generally. Moreover, they will deliver that information in a form well‐tailored to drive change – a persistent and increasing flow of vivid, concrete, comprehensible facts that easily build into explanatory narratives about the genetic, environmental, cultural, and experiential causes of criminal behavior. Such concrete and credible criminogenesis narratives, I argue, will fuel deep and stubborn moral anxieties about retributivism, and their cumulative impact will ultimately drive us to reject retributive criminal justice.
FOXP3 inhibits MYC expression via regulating miR‐198 and influences cell viability, proliferation and cell apoptosis in HepG2
Authors: Duan Xiaohui , Jiang Bo , Yang Jianhui , Zhou Lixue , Tian Bingzhang , Mao Xianhai
Published: October 2018

Objective

Our study aimed to explore the effects of FOXP3 expression on liver neoplasms cells and to further investigate the relationship between FOXP3 and proto‐oncogene MYC.

Methods

QRT‐PCR was used for assessment of FOXP3 expression in liver neoplasms tissues and para‐carcinoma tissues. The effects of FOXP3 on cell viability were determined by CCK8 assay, clone formation experiment, and flow cytometry. For miRNA selection, chips were used to figure out the differentially expressed miRNAs in FOXP3‐overexpressing HepG2 cells. The result was followed by bioinformatics prediction to screen the possible MYC‐targeted miRNAs, and it was examined by dual luciferase assay and ChIP assay. The expression levels of MYC protein and apoptosis‐associated proteins (bcl2 and bax) were measured by Western blot assay.

Results

It showed an under‐regulated expression of FOXP3 in liver neoplasm tissues from qRT‐PCR results. Overexpression of FOXP3 contributed to cell apoptosis as well as suppressed tumor cells’ proliferation. MiR‐198 was detected to be highly expressed in FOXP3‐overexpressing HepG2 cells. FOXP3 regulated the transcription level of miR‐198 by binding to its promoter sequence and overexpressed miR‐198 could suppress tumor cells’ proliferation and promote cell apoptosis. There existed targeted relationship between miR‐198 and MYC gene. MiR‐198 inhibited cancer by suppressing the expression of MYC in liver neoplasm.

Conclusion

FOXP3 up‐regulated miR‐198 expression by binding to its promoter sequence specifically, while miR‐198 inhibited proto‐oncogene MYC via targeted relationship. High level of miR‐198 contributed to the apoptosis of tumor cells and suppressed cell viability meanwhile.
The association of tooth loss, toothbrushing, and quality of life among cancer survivors
Authors: Yan Rui , Chen Xuefen , Gong Xiaohuan , Wang Jiwei , Yu Jinming
Published: October 2018

Background

Tooth loss contributes physically and psychologically to health, and quality of life has been a key indicator of the cancer survivors. However, it is less clear whether tooth loss has impact on cancer survivors’ quality of life. Our study aimed to investigate the association between tooth loss, toothbrushing, and quality of life in cancer survivors.

Methods

A cross‐sectional study was conducted among 9125 cancer survivors in Shanghai, China. Sociodemographic characteristics, frequency of tooth brushing, number of tooth loss were collected using a self‐reported questionnaire. Quality of life was measured using the EORTC QLQ‐C30. Chi‐square test was used to compare the distribution of tooth loss and toothbrushing frequency among various cancer sites, sociodemographic factors, socioeconomic status, health conditions. Multiple linear regression models were performed to estimate the effects of tooth loss and toothbrushing on quality of life.

Results

Participants diagnosed with cancer of oral cavity, pharynx, and nasopharynx reported higher percentage of 11+ tooth loss. Cancer survivors with toothbrushing ≥2 times/d reported higher scores in physical, cognitive, and social function and had milder nausea and vomiting, compared with ones with toothbrushing <2 times/d. Tooth loss was associated with milder physical, role and emotional function scores, and severer fatigue, nausea/vomiting, dyspnea, insomnia, appetite loss, constipation, and diarrhea.

Conclusions

This is the first study to investigate the impact of toothbrushing and tooth loss on quality of life among cancer survivors. Tooth loss was associated with milder physical, role and emotional function scores, and severer fatigue, nausea/vomiting, dyspnea, insomnia, appetite loss, constipation and diarrhea. Toothbrushing had significant positive effect on cancer survivors’ quality of life. The present study also provided several public health strategies to improve oral health among cancer survivors.
A real‐world, population‐based study of patterns of referral, treatment, and outcomes for advanced pancreatic cancer
Authors: Abdel‐Rahman Omar , Xu Yuan , Tang Patricia A. , Lee‐Ying Richard M. , Cheung Winson Y.
Published: October 2018

Background

To describe patterns of referral, consultation, and treatment of advanced pancreatic cancer patients in a population‐based health care system and to evaluate the impact of these factors on outcomes.

Methods

This is a retrospective analysis of population‐based cancer data from the province of Alberta, Canada. We analyzed patients diagnosed with either locally advanced or metastatic pancreatic adenocarcinoma from 2009 to 2016 and evaluated their patterns of referral to a cancer center, consultation with oncology, and treatment with active anticancer therapies. Logistic regression models were constructed to determine the factors associated with referral, late oncology assessment, and late receipt of treatment.

Results

We identified 1621 pancreatic cancer patients. Median age was 70 years, 50% were men, and 51% had a Charlson index of 2+. Within this cohort, only 884 (54%) patients were referred to one of the provincial cancer centers. Adjusting for confounders in logistic regression models, older age and worse comorbidity scores were associated with nonreferral (both P < 0.01). In multivariable analysis among treated patients, the following factors were associated with improved overall survival, including younger age, earlier stage, and better comorbidity scores (all P < 0.01). Neither referral to consultation times nor consultation to treatment times correlated with outcomes. Importantly, nonreferred patients were more likely to use acute care services, including longer total duration of hospitalizations and more frequent visits with physician specialists.

Conclusion

A significant proportion of patients with advanced pancreatic cancer were never referred to a cancer center. Nonreferred patients were more likely to utilize specific health care resources.
The effects of tumor size and postoperative radiotherapy for patients with adult low‐grade (WHO grade II) infiltrative supratentorial astrocytoma/oligodendroglioma: A population‐based and propensity score matched study
Authors: Lin Dong‐Dong , Deng Xiang‐Yang , Zheng Dong‐Dong , Gu Cheng‐Hui , Yu Li‐Sheng , Xu Shang‐Yu , Li Dan‐Dong , Fang Jun‐Hao , Yin Bo , Sheng Han‐Song , Lin Jian , Zhang Xiao‐Lei , Zhang Nu
Published: October 2018

Background

The update of 2018 NCCN guidelines (central nervous system cancers) recommended the risk classification of postoperative patients diagnosed as adult low‐grade (WHO grade II) infiltrative supratentorial astrocytoma/oligodendroglioma (ALISA/O) should take tumor size into consideration. Moreover, the guidelines removed postoperative radiotherapy (PORT) for low risk patients. Our study aimed to explore the specific tumor size to divide postoperative patients into relatively low‐ or high risk subgroups and the effect of PORT for ALISA/O patients.

Methods

We conducted a retrospective study choosing 1277 postoperative ALISA/O patients from the Surveillance, Epidemiology, and End Results database. The X‐tile analysis provided the optimal cutoff point based on tumor size. The differences between surgery alone and surgery +RT groups were balanced by propensity score‐matched analysis. The multivariable analysis and the nomogram evaluated multiple prognostic factors based on cancer‐specific survival (CSS) and overall survival (OS).

Results

X‐tile plots defined 59 mm (P < 0.001) as the optimal cutoff tumor size value in terms of CSS, which was verified in multivariate analysis (P < 0.001). The Kaplan‐Meier analysis showed that the surgery alone had higher CSS and OS than surgery +RT, while the low risk group had no statistical significance after propensity score match. Multivariable analysis showed that surgery +RT was independently associated with diminished OS and CSS for high risk group, which had no statistical significance for low‐risk group.

Conclusions

Our study suggested that tumor size of 59 mm was an optimal cutoff point to divide postoperative patients into relatively low‐ or high risk subgroups. PORT may not benefit patients, while the effects of PORT for low risk patients need further research.
Genomewide identification of a novel six‐LncRNA signature to improve prognosis prediction in resectable hepatocellular carcinoma
Authors: Wu Ying , Wang Peng‐Shuo , Wang Ben‐Gang , Xu Lu , Fang Wan‐Xia , Che Xiao‐Fang , Qu Xiu‐Juan , Liu Yun‐Peng , Li Zhi
Published: October 2018

The current prognostic long noncoding RNA (lncRNA) signatures for hepatocellular carcinoma (HCC) are still controversial and need to be optimized by systematic bioinformatics analyses with suitable methods and appropriate patients. Therefore, we performed the study to establish a credible lncRNA signature for HCC outcome prediction and explore the related mechanisms. Based on the lncRNA profile and the clinical data of carefully selected HCC patients (n = 164) in TCGA, six of 12727 lncRNAs, MIR22HG, CTC‐297N7.9, CTD‐2139B15.2, RP11‐589N15.2, RP11‐343N15.5, and RP11‐479G22.8 were identified as the independent predictors of patients’ overall survival in HCC by sequential univariate Cox and 1000 times Cox LASSO regression with 10‐fold CV, and multivariate Cox analysis with 1000 times bootstrapping. In the Kaplan‐Meier analysis with patients trichotomized by the six‐lncRNA signature, high‐risk patients showed significantly shorter survival than mid‐ and low‐risk patients (log‐rank test P < 0.0001). According to the ROCs, the six‐lncRNA signature showed superior predictive capacity than the two existing four‐lncRNA combinations and the traditional prognostic clinicopathological parameter TNM stage. Furthermore, low MIR22HG and CTC‐297N7.9, but high CTD‐2139B15.2, RP11‐589N15.2, RP11‐343N15.5, and RP11‐479G22.8, were, respectively, demonstrated to be related with the malignant phenotypes of HCC. Functionally, the six lncRNAs were disclosed to involve in the regulation of multiple cell cycle and stress response‐related pathways via mediating transcription regulation and chromatin modification. In conclusion, our study identified a novel six‐lncRNA signature for resectable HCC prognosis prediction and indicated the underlying mechanisms of HCC progression and the potential functions of the six lncRNAs awaiting further elucidation.
Animating predator and prey fish interactions
Authors: Podila Sahithi , Zhu Ying
Published: October 2018

Fish exhibit a wide variety of behavior, including swimming and schooling. Animating a school of fish is difficult because of the large number of fish and because a school of fish often swims in distinctive and coordinated patterns, particularly when they are attacked by a predator. Previous work in computer graphics has not provided satisfactory models to simulate the many distinctive interactions between a school of prey fish and their predator. In this paper, we present a fish school escape behavior model that can simulate 12 fish escape maneuvers identified in biological studies: compact, avoid, fast avoid, skitter, fountain, flash, ball, split, join, herd, vacuole, and hourglass. This behavior animation model can free an animator from dealing with the low‐level animations but instead controls the fish behavior on a higher level by modifying a state machine and a small set of system parameters.
Biphenyl Derivatives from the Aerial Parts of Oenanthe javanica and Their COX‐2 Inhibitory Activities
Authors: Ma Qin‐Ge , Wei Rong‐Rui , Sang Zhi‐Pei
Published: October 2018

Four new biphenyl derivatives (1–4), along with six known biphenyl derivatives (5–10) were isolated and elucidated by their detailed analyses of spectroscopic data and references from the aerial parts of Oenanthe javanica for the first time. Compounds (1–10) were assayed for their activities about the inhibition of COX‐2 enzyme in vitro for the first time. Compounds 1, 2, 4, and 6 showed inhibitory activities against COX‐2 with IC50 values ranging from 22.18±0.29 to 108.54±0.42 μm.
Deriving Ligand Orientation in Weak Protein–Ligand Complexes by DEEP‐STD NMR Spectroscopy in the Absence of Protein Chemical‐Shift Assignment
Authors: Nepravishta Ridvan , Walpole Samuel , Tailford Louise , Juge Nathalie , Angulo Jesus
Published: October 2018

Differential epitope mapping saturation transfer difference (DEEP‐STD) NMR spectroscopy is a recently developed powerful approach for elucidating the structure and pharmacophore of weak protein–ligand interactions, as it reports key information on the orientation of the ligand and the architecture of the binding pocket. The method relies on selective saturation of protein residues in the binding site and the generation of a differential epitope map by observing the ligand, which depicts the nature of the protein residues making contact with the ligand in the bound state. Selective saturation requires knowledge of the chemical‐shift assignment of the protein residues, which can be obtained either experimentally by NMR spectroscopy or predicted from 3D structures. Herein, we propose a simple experimental procedure to expand the DEEP‐STD NMR methodology to protein–ligand cases in which the spectral assignment of the protein is not available. This is achieved by experimentally identifying the chemical shifts of the residues present in binding hot‐spots on the surface of the receptor protein by using 2D NMR experiments combined with a paramagnetic probe.
Melody valve in mitral position: Complete fracture causing acute mitral stenosis in a child
Authors: Morrical Brandon D. , Dearani Joseph A. , Cabalka Allison K.
Published: October 2018

We present a case of a 7‐year‐old boy with a history of multiple mitral valve interventions and subsequent Melody valve placement in the mitral position, who presented with acute mitral stenosis due to complete fracture of the Melody stent. He was born early with severe mitral and tricuspid insufficiency due to valvular dysplasia, and ended up with 4 sternotomies before the age of 2 due to mitral valve dysfunction and recurrent prosthetic valve thrombosis. He then developed mixed stenosis and regurgitation at age 6, and to avoid another sternotomy, valve‐in‐valve therapy with off‐label use of a 20‐mm Melody valve was done with hybrid procedure via trans‐apical approach. Eight months later he presented with acutely worsened mitral stenosis (mean gradient 20 mm Hg), due to fracture of the proximal stent. While the safety and efficacy of the Melody valve has been well established especially in the pulmonary position, stent fracture is a known and potentially serious complication. As with any novel valve therapy, close follow‐up and frequent imaging may be warranted to watch for loss of stent integrity, particularly if clinical symptoms of valve dysfunction occur.
Successful nonoperative management of high output enterocutaneous fistulae in high surgical risk HIV‐positive patients: Two case reports and literature review
Authors: Muchuweti David , Muguti Edwin Gamba , Mungazi Simbarashe Gift
Published: October 2018

Key Clinical Message

Management of enterocutaneous fistulae is challenging, often requiring a multidisciplinary approach. In high output fistulae, surgery is advocated after control of sepsis, adequate fluid and electrolyte repletion, and nutritional support. Surgery may, however, be contraindicated in the presence of sepsis and malnutrition. The presence of HIV infection brings extra challenges.
Printed Organic Transistor‐Based Enzyme Sensor for Continuous Glucose Monitoring in Wearable Healthcare Applications
Authors: Mano Taisei , Nagamine Kuniaki , Ichimura Yusuke , Shiwaku Rei , Furusawa Hiroyuki , Matsui Hiroyuki , Kumaki Daisuke , Tokito Shizuo
Published: October 2018

A printed extended‐gate‐type organic transistor‐based enzyme sensor for the continuous monitoring of D‐glucose has been developed through a simple modification of the electrical circuit. The sensor is composed of a glucose oxidase (GOx)/Prussian blue (PB)‐modified extended‐gate electrode and an Ag/AgCl reference electrode, which are connected to the gate and source electrodes of an organic transistor, respectively. The GOx/PB‐modified extended‐gate electrode and Ag/AgCl reference electrode were short‐circuited by an external resistor to spontaneously induce redox cycling of PB. Continuous monitoring of the source‐drain current of the organic transistor for various concentrations of D‐glucose was successfully demonstrated in this system. This is the first report of the transistor‐based enzyme sensor exhibiting reversible response to the analytes in physiologically buffered solution without the addition of any chemical reagents. This new type of printed organic transistor‐based enzyme sensor will greatly contribute to the development of wearable biosensors for non‐invasive monitoring of biomarkers in externally secreted bodily fluids such as tears, saliva, and sweat.
Aqueous‐Phase Synthesis of Size‐Tunable PbSe Nanocubes at Room Temperature for Optical Property Characterization
Authors: Chiu Ming‐Shu , Lin Chun‐Chieh , Lee An‐Ting , Huang Yi‐Chuan , Huang Michael H.
Published: October 2018

A simple aqueous‐phase synthesis of PbSe nanocubes with tunable sizes has been developed by first preparing a Na2SeSO3 stock solution through dissolution of selenium powder in a solution of Na2SO3 at 90–100 °C for 30 min, and adding part of this solution to a mixture of lead acetate and acetic acid at room temperature with stirring for only 5–8 min to complete the nanocrystal growth. Adjusting the volume of acetic acid and Na2SeSO3 solution added enabled the size of the nanocrystals to be tuned, with average edge lengths of 13 to 121 nm attained. Changes in solution color revealed very different crystal growth rates for the 13 and 121 nm nanocubes. The PbSe cubes exhibit size‐dependent absorption bands in the ultraviolet and visible‐light region; the band positions show progressive redshifts with increasing particle size. Slight photocatalytic activity upon 532 nm laser irradiation of the nanocubes suggests the presence of higher energy levels in the band structure of PbSe. The synthetic conditions can be easily scaled up to obtain a large quantity of PbSe nanocubes for applications.
Amine‐Borane Dehydrogenation and Transfer Hydrogenation Catalyzed by α‐Diimine Cobaltates
Authors: Maier Thomas M. , Sandl Sebastian , Shenderovich Ilya G. , Jacobi von Wangelin Axel , Weigand Jan J. , Wolf Robert
Published: October 2018

Anionic α‐diimine cobalt complexes, such as [K(thf)1.5{(DippBIAN)Co(η4‐cod)}] (1; Dipp=2,6‐diisopropylphenyl, cod=1,5‐cyclooctadiene), catalyze the dehydrogenation of several amine‐boranes. Based on the excellent catalytic properties, an especially effective transfer hydrogenation protocol for challenging olefins, imines, and N‐heteroarenes was developed. NH3BH3 was used as a dihydrogen surrogate, which transferred up to two equivalents of H2 per NH3BH3. Detailed spectroscopic and mechanistic studies are presented, which document the rate determination by acidic protons in the amine‐borane.
Permethylated Disila[2]metallocenophanes of Group 14 and 15 Elements
Authors: Stahlich Angelika S. D. , Huch Volker , Grandjean Alexander , Rohe Kevin , Leszczyńska Kinga I. , Scheschkewitz David , Schäfer André
Published: October 2018

Permethylated disila[2]metallocenophanes of silicon, germanium, tin, lead, 2 a–d, (tetrelocenophanes) and antimony, 3 a,b, (pnictogenocenophanes) are described. In the case of antimony, a chloro‐substituted stibonocenophane, 3 a, as well as cationic stibonocenophanium tetrachloroaluminate and tetraphenylborate salts, 3 b[X] (X=[AlCl4], [BPh4]), were synthesized. These represent the first examples of metallocenophanes of any Group 15 element. All compounds were studied in solution and in the solid state. Without exception the ansa‐bridge exerts a strong influence on the bending angle of the two Cp‐ligands. For disila[2]plumbocenophane, 2 d, its reactivity towards Group 15 halides was probed. Treatment of disila[2]plumbocenophane, 2 d, with two equivalents of phosphorus(III) chloride or arsenic(III) chloride, results in a ring‐opening reaction and gives the bis(dihalopnictogenyl)‐substituted products, 4 a,b.
Construction of a Meroterpenoid‐Like Compounds Library Based on Diversity‐Enhanced Extracts
Authors: Kikuchi Haruhisa , Kawai Kosuke , Nakashiro Yota , Yonezawa Takayuki , Kawaji Kumi , Kodama Eiichi. N. , Oshima Yoshiteru
Published: October 2018

The structural diversity of natural products and their derivatives have long contributed to the development of new drugs. However, the difficulty in obtaining compounds bearing skeletally novel structures has recently led to a decline of pharmaceutical research into natural products. This paper reports the construction of a meroterpenoid‐like library containing 25 compounds with diverse molecular scaffolds obtained from diversity‐enhanced extracts. This method constitutes an approach for increasing the chemical diversity of natural‐product‐like compounds by combining natural product chemistry and diversity‐oriented synthesis. Extensive pharmacological screening of the library revealed promising compounds for anti‐osteoporotic and anti‐lymphoma/leukemia drugs. This result indicates that the use of diversity‐enhanced extracts is an effective methodology for producing chemical libraries for the purpose of drug discovery.
Nickel‐Catalyzed Electrooxidative C−H Amination: Support for Nickel(IV)
Authors: Zhang Shou‐Kun , Samanta Ramesh C. , Sauermann Nicolas , Ackermann Lutz
Published: October 2018

Nickel‐catalyzed electrochemical C−H aminations were accomplished by chemo‐ and position‐selective C−H activation with ample scope. Detailed mechanistic studies highlighted a facile C−H cleavage with unique chemo‐selectivity, while cyclovoltammetric analysis provided support for a nickel(II/III/IV) manifold.
The connection between the cardiac glycoside‐induced senescent cell morphology and Rho/Rho kinase pathway
Authors: Şimay Yaprak Dilber , Özdemir Aysun , İbişoğlu Burçin , Ark Mustafa
Published: October 2018

Recently drug‐induced senescence has gained momentum as a new approach in cancer therapy. It is accepted that senescent cells display typical phenotypic features including flattened, enlarged, and multinucleated cell morphology. However, it is not well elucidated how these morphological alterations occur. The current study evaluates the possible role of Rho/Rho kinase pathway in cardiac glycoside‐induced senescent cell morphology in HeLa cells. Our results indicate that the administration of cardiac glycosides, ouabain, digoxin, bufalin, to HeLa cells induced cellular senescence leading to an increase in the volume, area and maximum thickness of the cells. Although preincubation of specific Rho kinase inhibitor Y‐27632 did not inhibit the occurrence of cardiac glycoside‐induced senescence in cells, it reduced the cell area and cell volume. Inhibition of Rho by CT04 produced similar results as seen for the preincubation of Y‐27632. In addition, inhibition of Rock caused a decrease in increased actin stress fibers in senescent cells induced by ouabain. Additionally, preincubation of Y‐27632 decreased the ouabain‐induced the phosphorylation of MYPT and cofilin. In conclusion, Rock inhibition‐mediated alteration of senescent cell morphology may be associated with the decreased actin stress fibers formation. Since it is known that secretory activity is accompanied by the changes of cell morphology, these morphological alterations observed by the inhibition of Rho/Rho kinase pathway may also lead to important secretory functions of senescent cells.
Discovery and Structure–Activity Relationships of N‐Aryl 6‐Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors
Authors: Boutard Nicolas , Białas Arkadiusz , Sabiniarz Aleksandra , Guzik Paweł , Banaszak Katarzyna , Biela Artur , Bień Marcin , Buda Anna , Bugaj Barbara , Cieluch Ewelina , Cierpich Anna , Dudek Łukasz , Eggenweiler Hans‐Michael , Fogt Joanna , Gaik Monika , Gondela Andrzej , Jakubiec Krzysztof , Jurzak Mirek , Kitlińska Agata , Kowalczyk Piotr , Kujawa Maciej , Kwiecińska Katarzyna , Leś Marcin , Lindemann Ralph , Maciuszek Monika , Mikulski Maciej , Niedziejko Paulina , Obara Alicja , Pawlik Henryk , Rzymski Tomasz , Sieprawska‐Lupa Magdalena , Sowińska Marta , Szeremeta‐Spisak Joanna , Stachowicz Agata , Tomczyk Mateusz M. , Wiklik Katarzyna , Włoszczak Łukasz , Ziemiańska Sylwia , Zarębski Adrian , Brzózka Krzysztof , Nowak Mateusz , Fabritius Charles‐Henry
Published: October 2018

Energy and biomass production in cancer cells are largely supported by aerobic glycolysis in what is called the Warburg effect. The process is regulated by key enzymes, among which phosphofructokinase PFK‐2 plays a significant role by producing fructose‐2,6‐biphosphate; the most potent activator of the glycolysis rate‐limiting step performed by phosphofructokinase PFK‐1. Herein, the synthesis, biological evaluation and structure–activity relationship of novel inhibitors of 6‐phosphofructo‐2‐kinase/fructose‐2,6‐biphosphatase 3 (PFKFB3), which is the ubiquitous and hypoxia‐induced isoform of PFK‐2, are reported. X‐ray crystallography and docking were instrumental in the design and optimisation of a series of N‐aryl 6‐aminoquinoxalines. The most potent representative, N‐(4‐methanesulfonylpyridin‐3‐yl)‐8‐(3‐methyl‐1‐benzothiophen‐5‐yl)quinoxalin‐6‐amine, displayed an IC50 of 14 nm for the target and an IC50 of 0.49 μm for fructose‐2,6‐biphosphate production in human colon carcinoma HCT116 cells. This work provides a new entry in the field of PFKFB3 inhibitors with potential for development in oncology.
The distribution, number, and certain neurochemical identities of infracortical white matter neurons in a lar gibbon (Hylobates lar) brain
Authors: Swiegers Jordan , Bhagwandin Adhil , Sherwood Chet C. , Bertelsen Mads F. , Maseko Busisiwe C. , Hemingway Jason , Rockland Kathleen S. , Molnár Zoltán , Manger Paul R.
Published: October 2018

We examined the number, distribution, and immunoreactivity of the infracortical white matter neuronal population, also termed white matter interstitial cells (WMICs), in the brain of a lesser ape, the lar gibbon. Staining for neuronal nuclear marker (NeuN) revealed WMICs throughout the infracortical white matter, these cells being most numerous and dense close to cortical layer VI, decreasing significantly in density with depth in the white matter. Stereological analysis of NeuN‐immunopositive cells revealed a global estimate of ~67.5 million WMICs within the infracortical white matter of the gibbon brain, indicating that the WMICs are a numerically significant population, ~2.5% of the total cortical gray matter neurons that would be estimated for a primate brain the mass of that of the lar gibbon. Immunostaining revealed subpopulations of WMICs containing neuronal nitric oxide synthase (nNOS, ~7 million in number, with both small and large soma volumes), calretinin (~8.6 million in number, all of similar soma volume), very few WMICs containing parvalbumin, and no calbindin‐immunopositive neurons. These nNOS, calretinin, and parvalbumin immunopositive WMICs, presumably all inhibitory neurons, represent ~23.1% of the total WMIC population. As the white matter is affected in many cognitive conditions, such as schizophrenia, autism and also in neurodegenerative diseases, understanding these neurons across species is important for the translation of findings of neural dysfunction in animal models to humans. Furthermore, studies of WMICs in species such as apes provide a crucial phylogenetic context for understanding the evolution of these cell types in the human brain.
Cross‐Linking Building Blocks Using a “Boronate Bridge” to Build Functional Hybrid Materials
Authors: Nakahata Masaki , Sakai Shinji
Published: October 2018

Boronic acids are not only a substrate for metal‐catalyzed cross‐coupling but also a molecular recognition tool. Especially, boronic acid‐diol or boronate‐diol interactions have been used to construct molecular‐scale self‐assemblies. This focus review summarizes recent researches using boronic acids as a bridge between similar or dissimilar (macro)molecules to build functional hybrid materials. Functional properties of boronic acid moieties such as molecular selectivity and stimuli‐responsiveness impart the materials with characteristic functions suitable for applications such as release systems, dynamic materials, and bioactive surfaces and scaffolds.
Individual predictors of adolescent adjustment to maternal cancer: The role of perceived stress, coping, social support, attachment, and self‐efficacy
Authors: Rodriguez Leonor , Groarke AnnMarie , Dolan Pat
Published: October 2018

Background

Cancer is among the leading causes of morbidity and mortality around the world. The National Cancer Registry of Ireland reported in 2015 that there were 9312 new cases of female cancers per year, breast cancer being the most common type diagnosed. Research has identified that parental cancer is a stressful situation that can have a strong impact on adolescents' lives; however, some adolescents can turn a negative event into a way of enhancing their skills and psychological resources. This variability needs to be explored further to identify how individual differences contribute to different adjustment experiences for adolescents whose mothers are diagnosed with cancer, namely differences in adolescent coping, self‐efficacy, social support, life satisfaction, and attachment.

Aim

The objective of this study was to examine the relative impact of perceived stress, coping, perceived social support, maternal attachment, and self‐efficacy on adolescent adjustment (mood and life satisfaction).

Method

Data was collected from 40 adolescents within 38 months of a maternal cancer diagnosis. They completed online questionnaires assessing perceived stress, coping, perceived social support, attachment, self‐efficacy, and adjustment (life satisfaction, negative affect, positive affect, depression, and anxiety).

Results

Hierarchical regression analyses showed that perceived stress and coping were the strongest predictors of adjustment explaining variance on all adjustment indices. Maternal attachment, perceived social support, and self‐efficacy were less powerful predictors of adjustment. The model, however, failed to explain any variance on depression and anxiety. Moderation analyses revealed that social support moderated the relationship between perceived stress and positive affect for adolescents with high levels of perceived social support.

Conclusions

Findings show that lower perceived stress and positive coping were the best predictors of adjustment in adolescents facing maternal cancer. Results suggest that adolescents could be screened for levels of perceived stress and coping style to identify adolescents who are at risk of poor adjustment when they are adjusting to maternal cancer.
TensorFlow at Scale: Performance and productivity analysis of distributed training with Horovod, MLSL, and Cray PE ML
Authors: Kurth Thorsten , Smorkalov Mikhail , Mendygral Peter , Sridharan Srinivas , Mathuriya Amrita
Published: October 2018

Deep learning has proven to be a successful tool for solving a large variety of problems in various scientific fields and beyond. In recent years, the models as well as the available datasets have grown bigger and more complicated, and thus, an increasing amount of computing resources is required in order to train these models in a reasonable amount of time. Besides being able to use HPC resources, deep learning model developers want flexible frameworks which allow for rapid prototyping. One of the most important of these frameworks is Google TensorFlow, which provides both features, ie, good performance as well as flexibility. In this paper, we discuss different solutions for scaling the TensorFlow Framework to thousands of nodes on contemporary Cray XC supercomputing systems.
Scalable network analytics for characterization of outbreak influence in voluminous epidemiology datasets
Authors: Shah Naman , Malensek Matthew , Shah Harshil , Pallickara Shrideep , Pallickara Sangmi Lee
Published: October 2018

Planning for large‐scale epidemiological outbreaks in livestock populations often involves executing compute‐intensive disease spread simulations. To capture the probabilities of various outcomes, these simulations are executed several times over a collection of representative input scenarios, producing voluminous data. The resulting datasets contain valuable insights, including sequences of events that lead to extreme outbreaks. However, discovering and leveraging such information is also computationally expensive. In this study, we set out to achieve two goals, ie, (1) providing a distributed framework for modeling disease transmission at scale using Spark, including improvements to the default GraphX partitioning strategy, and (2) giving planners and epidemiologists a means to analyze interactions between entities (herds) during simulated disease outbreaks. Using our disease transmission network (DTN), planners or analysts can isolate herds that have a disproportionate effect on epidemiological outcomes, enabling effective allocation of limited resources such as vaccinations and field personnel. We use a representative dataset to verify our approach and optimized the underlying graph partitioning algorithm to ensure the system will scale with increases in the dataset size or number of participating machines. Our analysis includes identification of influential herds as well as the creation of machine learning models for accurate classifications that generalize to other datasets.
Synthesis of Fluorescence Turn‐On DNA Hybridization Probe Using the DEAtC 2′‐Deoxycytidine Analog
Authors: Turner M. Benjamin , Anderson Brooke A. , Samaan George N. , Coste Michael , Burns Dillon D. , Purse Byron W.
Published: October 2018

DEAtC is a tricyclic 2′‐deoxycytidine analog that can be incorporated into oligonucleotides by solid‐phase synthesis and that exhibits a large fluorescence enhancement when correctly base‐paired with a guanine base in a DNA‐DNA duplex. The synthesis of DEAtC begins with 5‐amino‐2‐methylbenzothiazole and provides the DEAtC nucleobase analog over five synthetic steps. This nucleobase analog is then silylated using N,O‐bis(trimethylsilyl)acetamide and conjugated to Hoffer's chlorosugar to provide the protected DEAtC nucleoside in good yield. Following protective‐group removal and chromatographic isolation of the β‐anomer, dimethoxytritylation and phosphoramidite synthesis offer the monomer for solid‐phase DNA synthesis. Solid‐phase DNA synthesis conditions using extended coupling of the DEAtC amidite and a short deprotection time are employed to maximize efficiency. By following the protocols described in this unit, the DEAtC fluorescent probe can be synthesized and can be incorporated into any desired synthetic DNA oligonucleotide. © 2018 by John Wiley & Sons, Inc.
Transformation of Recalcitrant Sorghum Varieties Facilitated by Baby Boom and Wuschel2
Authors: Nelson‐Vasilchik Kimberly , Hague Joel , Mookkan Muruganantham , Zhang Zhanyuan J. , Kausch Albert
Published: October 2018

Most reliable transformation protocols for cereal crops, including sorghum (Sorghum bicolor L. Moench), rely on the use of immature embryo explants to generate embryogenic callus cells that are then transformed using Agrobacterium‐ or particle‐bombardment‐mediated DNA delivery. Subsequent to DNA transfer, most protocols rely on selectable markers for the recovery of stably transformed callus that is then regenerated to produce T0 plants. However, these protocols require specific genotypes that are innately capable of efficient embryogenic callus initiation. Here, we describe a system that makes use of the differential expression of the morphogenic regulators Baby Boom (Bbm) and Wuschel2 (Wus2) to achieve transformation in varieties of sorghum typically recalcitrant to standard transformation methods. © 2018 by John Wiley & Sons, Inc.
Two Useful Directing Modes in Singlet Oxygen Reactivity: Electrostatic Effects in the Ene Reaction with Allylic Alcoholates and a Chemoselectivity Change with α‐Alkoxy Michael Esters
Authors: Kleczka Margarethe , But Diana , Dylong Dominik , Fendinger Carolina , Marmann Verena , Wartke Christian , Griesbeck Axel G.
Published: October 2018

The front cover artwork is provided by Axel Griesbeck and Diana But at the University of Cologne (Germany). The image shows a cartoon of the hydrogen‐transfer process initiating the singlet oxygen ene reaction with several strong regio‐ and stereodirecting effects following the rule of thumb: If you give singlet oxygen your little finger it will soon have your whole hand (as adapted from a quote by Sigmund Freud). Read the full text of the Article at10.1002/cptc.201800133.
A new structure of single‐phase two‐stage hybrid transformerless multilevel PV inverter
Authors: Kuncham Sateesh Kumar , Annamalai Kirubakaran , Nallamothu Subrahmanyam
Published: October 2018

Transformerless inverters are becoming popular for grid‐connected photovoltaic applications due to their simplicity, reduced size, weight, cost, and higher efficiency. In this paper, a two‐stage hybrid transformerless multilevel inverter (MLI) for single‐phase grid‐connected photovoltaic power generation system (PVPGS) is presented. The proposed topology comprises a multilevel boost converter (MLBC) and a symmetrical hybrid MLI. MLBC combines the boosting and switched capacitor voltage functions to produce self‐balanced multiple voltage levels. The proposed MLI is derived from a combination of bidirectional switches, a half bridge, and a diode‐clamped branch, which can produce only two variations in the total common mode voltage and is capable of suppressing leakage current as per DIN VDE 0126‐1‐1 grid standards. It offers the advantages of scalability, reactive power capability, reduced total harmonic distortion, and filter size. The proposed hybrid transformerless seven‐level inverter is simulated in MATLAB, and experimental setup is built to validate the effectiveness of the proposed configuration. Finally, a comprehensive comparison is made with other seven‐level inverter topologies.