bluuebunny/crossref_metadata_2025 huggingface dataset:
Regulation of Rab5 isoforms by transcriptional and post‐transcriptional mechanisms in yeast
Authors: Schmidt Oliver , Weyer Yannick , Fink Matthias J. , Müller Martin , Weys Sabine , Bindreither Marietta , Teis David
Published: August 2017

Rab5 GTPases are master regulators of early endosome biogenesis and transport. The genome of Saccharomyces cerevisiae encodes three Rab5 proteins: Vps21, the major isoform, Ypt52 and Ypt53. Here, we show that Vps21 is the most abundant Rab5 protein and Ypt53 is the least abundant. In stressed cells, Ypt53 levels increase but never exceed that of Vps21. Its induction requires the transcription factors Crz1 and Gis1. In growing cells, the expression of Ypt53 is suppressed by post‐transcriptional mechanisms mediated by the untranslated regions of the YPT53 mRNA. Based on genetic experiments, these sequences appear to stimulate deadenylation, Pat1‐activated decapping and Xrn1‐mediated mRNA degradation. Once this regulation is bypassed, Ypt53 protein levels surpass Vps21, and Ypt53 is sufficient to maintain endosomal function and cell growth.
Life Story Chapters, Specific Memories, and Conceptions of the Self
Authors: Steiner Kristina L. , Thomsen Dorthe Kirkegaard , Pillemer David B.
Published: August 2017

Two studies investigated the effects of recalling either life story chapters or specific memories on measures of self‐continuity and self‐esteem. Participants were assigned to recall important chapters, important specific memories, or impersonal facts, and they provided ratings of emotional tone. Participants also completed trait and state measures of self‐continuity, self‐esteem, and mood. Although effects of recall condition on state and trait measures were not statistically significant, within‐group analyses identified strong and consistent relationships between the positivity of life story chapters and both trait and state self‐continuity and self‐esteem. In contrast, the positivity of specific memories was related only to state self‐esteem. Qualities of life story chapters appear to be more central to enduring conceptions of the self than do qualities of specific life story memories.Copyright © 2017 John Wiley & Sons, Ltd.
Housing and Child Well Being: Implications for Research, Policy, and Practice
Authors: Fowler Patrick J. , Farrell Anne F.
Published: August 2017

Highlights

Inadequate housing and homelessness threaten family stability and child development.

A growing body of research links inadequate housing and homelessness with the child welfare system.

At‐risk youth and families interact with various service systems, which are rarely coordinated.

These 13 papers inform coordinated responses to inadequate housing in the child welfare system.
Palladium‐Catalyzed ortho‐Halogenation of Tertiary Benzamides
Authors: Qiu Fang‐Cheng , Yang Wen‐Cheng , Chang Yong‐Zhen , Guan Bing‐Tao
Published: August 2017

A general and efficient protocol for the synthesis of ortho‐halogenated tertiary benzamides under mild conditions is described. Benzamides with various functional groups underwent ortho‐iodination, bromination or chlorination with NXS using a cationic palladium catalyst generated in situ from Pd(OAc)2 and TfOH in DME. Given the generality, efficiency, mild conditions, and readily available catalyst and halogenation reagents, this method could provide a practical approach for the synthesis of ortho‐halogenated benzamides.
Mild and Highly α‐Selective O‐Sialylation Method Based on Pre‐Activation: Access to Gangliosides Hp‐s1, DSG‐A, and Their Analogues
Authors: Shelke Ganesh B. , Chen Bo‐Rong , Yang Shih‐An , Kuo Tzer‐Min , Syu Yong‐Long , Ko Ying‐Chin , Luo Shun‐Yuan
Published: August 2017

An efficient method for α‐selective sialylation, based on a pre‐activated 5‐N,4‐O‐carbamate thiosialoside donor using p‐TolSCl/AgOTf as reagents, is described. The strategy is further expanded to a range of sugars. A mechanism is proposed and validated using experimental evidence. The utility of the method is demonstrated by the total synthesis of gangliosides Hp‐s1 1, DSG‐A 2 and their analogues, 2 a–2 c. The neuritogenic activity of the final compounds is determined on SH‐SY5Y cells.
Patterns and prevalence of violence‐related skull trauma in medieval London
Authors: Krakowka Kathryn
Published: August 2017

Objectives

This study aims to identify the patterns and prevalence of violence‐related skull trauma (including the cranium and mandible) among a large sample of skeletons from medieval London (1050–1550 AD).

Materials and Methods

In total, data from 399 skulls, representing six different sites from across medieval London, were analyzed for evidence of trauma and assessed for the likelihood that it was caused by violence. The sites include the three parish cemeteries of St Nicholas Shambles (GPO75), St Lawrence Jewry (GYE92), and St Benet Sherehog (ONE94); the two monastic houses of London Blackfriars (PIC87) and St Mary Graces (MIN86); and the early inmate cemetery from the medieval hospital of St Mary Spital (NRT85).

Results

The overall findings suggest that violence affected all aspects of medieval London society, but how that violence was characterized largely depended on sex and burial location. Specifically, males from the lay cemeteries appear to have been the demographic most affected by violence‐related skull injuries, particularly blunt force trauma to the cranial vault.

Discussion

Using both archaeological and historical evidence, the results suggest that violence in medieval London may have been more prevalent than in other parts of medieval England, particularly rural environments, but similar to other parts of medieval Europe. However, more studies focusing on medieval trauma, and violence specifically, need to be carried out to further strengthen these results. In particular, males from the lay cemeteries were disproportionately affected by violence‐related trauma, especially blunt force trauma. It perhaps indicates a means of informal conflict resolution as those of lower status did not always have the newly established medieval legal system available to them.
Functional Molecular Junctions Derived from Double Self‐Assembled Monolayers
Authors: Seo Sohyeon , Hwang Eunhee , Cho Yunhee , Lee Junghyun , Lee Hyoyoung
Published: August 2017

Information processing using molecular junctions is becoming more important as devices are miniaturized to the nanoscale. Herein, we report functional molecular junctions derived from double self‐assembled monolayers (SAMs) intercalated between soft graphene electrodes. Newly assembled molecular junctions are fabricated by placing a molecular SAM/(top) electrode on another molecular SAM/(bottom) electrode by using a contact‐assembly technique. Double SAMs can provide tunneling conjugation across the van der Waals gap between the terminals of each monolayer and exhibit new electrical functions. Robust contact‐assembled molecular junctions can act as platforms for the development of equivalent contact molecular junctions between top and bottom electrodes, which can be applied independently to different kinds of molecules to enhance either the structural complexity or the assembly properties of molecules.
A Pyrene‐Linked Cavity within a β‐Barrel Protein Promotes an Asymmetric Diels–Alder Reaction
Authors: Himiyama Tomoki , Taniguchi Naomasa , Kato Shunsuke , Onoda Akira , Hayashi Takashi
Published: August 2017

A unique π‐expanded reaction cavity tethering a polycyclic moiety which provides a platform for substrate binding was constructed within the robust β‐barrel structure of nitrobindin (NB). NB variants with cavities of different sizes and shapes are coupled with N‐(1‐pyrenyl)maleimide (Pyr) to prepare a series of NB‐Pyr conjugates. The orientation of the pyrene moiety is fixed within the cavity by the coupling reaction. The fluorescent quenching analysis of NB‐Pyr indicates that azachalcone (aza), which is a dienophile for a Diels–Alder (DA) reaction, is efficiently incorporated within the pyrene‐linked reaction cavity by the aromatic interaction. The DA reaction between aza and cyclopentadiene proceeds within the reaction cavity of NB‐Pyr in the presence of CuII ion in high yield and high enantio‐ and regioselectivity.
Aryloxide‐Facilitated Catalyst Turnover in Enantioselective α,β‐Unsaturated Acyl Ammonium Catalysis
Authors: Matviitsuk Anastassia , Greenhalgh Mark D. , Antúnez Diego‐Javier Barrios , Slawin Alexandra M. Z. , Smith Andrew D.
Published: August 2017

A new general concept for α,β‐unsaturated acyl ammonium catalysis is reported that uses p‐nitrophenoxide release from an α,β‐unsaturated p‐nitrophenyl ester substrate to facilitate catalyst turnover. This method was used for the enantioselective isothiourea‐catalyzed Michael addition of nitroalkanes to α,β‐unsaturated p‐nitrophenyl esters in generally good yield and with excellent enantioselectivity (27 examples, up to 79 % yield, 99:1 er). Mechanistic studies identified rapid and reversible catalyst acylation by the α,β‐unsaturated p‐nitrophenyl ester, and a recently reported variable‐time normalization kinetic analysis method was used to delineate the complex reaction kinetics.
Photochemical Intramolecular C−H Addition of Dimesityl(hetero)arylboranes through a [1,6]‐Sigmatropic Rearrangement
Authors: Ando Naoki , Fukazawa Aiko , Kushida Tomokatsu , Shiota Yoshihito , Itoyama Shuhei , Yoshizawa Kazunari , Matsui Yasunori , Kuramoto Yutaro , Ikeda Hiroshi , Yamaguchi Shigehiro
Published: August 2017

A new reaction mode for triarylboranes under photochemical conditions was discovered. Photoirradiation of dimesitylboryl‐substituted (hetero)arenes produced spirocyclic boraindanes, where one of the C−H bonds in the ortho‐methyl groups of the mesityl substituents was formally added in a syn fashion to a C−C double bond of the (hetero)aryl group. Quantum chemical calculations and laser flash photolysis measurements indicated that the reaction proceeds through a [1,6]‐sigmatropic rearrangement. This behavior is reminiscent of the photochemical reaction mode of arylalkenylketones, thus demonstrating the isosteric relation between tricoordinate organoboron compounds and the corresponding pseudo‐carbocationic species in terms of pericyclic reactions. Despite the disrupted π‐conjugation, the resulting spirocyclic boraindanes exhibited a characteristic absorption band at relatively long wavelengths (λ=370—400 nm).
Silica–polyaniline hybrid materials prepared by inverse emulsion polymerization for epoxy‐based anticorrosive coating
Authors: Caldas Camila M. , Calheiros Loan F. , G. Soares Bluma
Published: August 2017

Polyaniline doped with dodecylbenzene sulfonic acid (PAni.DBSA) was prepared by inverse emulsion polymerization of aniline in toluene medium in the presence of silica (SiO2) nanoparticles. The presence of cetyltrimethylammonium bromide (CTAB) during the aniline polymerization results in hybrid material with smaller particle size, as indicated by dynamic light scattering analysis and scanning electron microscopy. Also the electrical conductivity of such hybrid is one order higher, as compared with that prepared without CTAB. Moreover, more ordered PAni chain is obtained as indicated by the red shift of the π–polaron transition band observed by UV–vis spectroscopy and higher crystallinity observed by X‐ray diffraction analysis. Anti‐corrosive properties of carbon steel substrate coated with epoxy resin containing 5 wt % of PAni.DBSA and the corresponding SiO2‐based hybrid materials were evaluated in 3.5% NaCl solution by electrochemical impedance spectroscopy. The coating resistance increases by one order for the epoxy system containing PAni.DBSA/SiO2 hybrid prepared in the presence of CTAB, thus confirming the anticorrosion efficiency of this hybrid. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45505.
Analytical interpretations of static and dynamic mechanical properties of thermoplastic elastomer toughened PLA blends
Authors: Nehra Ranjana , Maiti Saurindra Nath , Jacob Josemon
Published: August 2017

Poly(lactic acid) (PLA) was melt blended with thermoplastic elastomer (TPE) styrene–ethylene–butylene–styrene‐g‐maleic anhydride (SEBS‐g‐MA) copolymer using a micro compounder which used melt recirculation approach for efficient dispersion of SEBS‐g‐MA in PLA. The SEBS‐g‐MA volume fraction (Φd) was varied between 0.07 and 0.48. Dynamic mechanical analysis showed 10.4 °C decrease in glass transition temperature at Φd = 0.48. Differential scanning calorimetry results exhibited shift in cold crystallization temperature to a higher temperature in the presence of SEBS‐g‐MA. Thermogravimetric analysis presented enhanced thermal stability of PLA/SEBS‐g‐MA blends. Tensile strength and modulus decreased while elongation‐at‐break and Izod impact strength increased in the blends. Theoretical models were employed to analyze the tensile properties of the blends in order to evaluate the blend structure. The microstructural attributes were characterized by wide‐angle X‐ray diffraction, Fourier‐transform infrared spectroscopy, and scanning electron microscopy of cryofractured, impact fractured, and tensile fractured surfaces. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45644.
Synthesis of Some Novel 2,6‐Disubstituted Pyridazin‐3(2H)‐one Derivatives as Analgesic, Anti‐Inflammatory, and Non‐Ulcerogenic Agents
Authors: Ibrahim Tamer H. , Loksha Yasser M. , Elshihawy Hosam A. , Khodeer Dina M. , Said Mohamed M.
Published: August 2017

Some novel 2,6‐disubstituted pyridazine‐3(2H)‐one derivatives were synthesized and evaluated for in vitro cyclooxygenase‐2 (COX‐2) inhibitory efficacy. Compounds 2‐{[3‐(2‐methylphenoxy)‐6‐oxopyridazin‐1(6H)‐yl]methyl}‐1H‐isoindole‐1,3(2H)‐dione (5a), 2‐propyl‐6‐(o‐tolyloxy)pyridazin‐3(2H)‐one (6a), and 2‐benzyl‐6‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)pyridazin‐3(2H)‐one (16a) showed the most potent COX‐2 inhibitory activity with IC50 values of 0.19, 0.11, and 0.24 μM, respectively. The synthesized compounds with the highest COX‐2 selectivity indices were evaluated for their anti‐inflammatory, analgesic, and ulcerogenic activities. Compounds 6a and 16a demonstrated the most potent and consistent anti‐inflammatory activity over the synthesized compounds, which was significantly higher than that of celecoxib in the carrageenin rat paw edema model and with milder ulcer scoring than that of indomethacin in the ulcerogenicity screening.
Human liver territories: Think beyond the 8‐segments scheme
Authors: Fasel Jean H.D.
Published: August 2017

Worldwide, compartmentalization of the human liver into portal venous territories today follows the eight‐segments scheme credited to Couinaud. However, there are increasing reports of anatomical, radiological and surgical observations that contradict this concept. This paper presents a viewpoint that enhances understanding of these inconsistencies and can serve as a basis for customized liver interventions. Clin. Anat. 30:974–977, 2017. © 2017 Wiley Periodicals, Inc.
Novel 3D Semiconducting Open‐Frameworks based on Cuprous Bromides with Visible Light Driven Photocatalytic Properties
Authors: Lei Xiao‐Wu , Yue Cheng‐Yang , Wei Jun‐Chao , Li Rui‐Qing , Mi Fu‐Qi , Li Yan , Gao Lu , Liu Quan‐Xiu
Published: August 2017

Visible light driven photocatalysts based on crystalline microporous metal halogenides received much less attention compared with dense or composite oxide semiconductors. Using the well‐known photosensitive transition metal‐complexes [TM(2,2‐bipy)3]2+ (TM=Fe, Co, Ni, Ru) as templates, a special three‐dimensional (3D) metal halogenide framework of [TM(2,2‐bipy)3]Cu4Br6 was designed with [Cu4Br4] cluster as 4‐connected node. These microporous materials feature narrow band gaps and stable visible light driven photocatalytic properties including water reduction to provide H2 and photodegradation of organic pollutants. The study of electronic band structure shows that the TM complexes effectively prevent the recombination of photo‐induced electron/hole pairs leading to excellent photocatalytic activity and photochemical stability. This work represents the first 3D microporous metal halogenides used as visible light driven photocatalyst to provide hydrogen energy.
Utility of DNA barcoding to identify rare endemic vascular plant species in Trinidad
Authors: Hosein Fazeeda N. , Austin Nigel , Maharaj Shobha , Johnson Winston , Rostant Luke , Ramdass Amanda C. , Rampersad Sephra N.
Published: August 2017

The islands of the Caribbean are considered to be a “biodiversity hotspot.” Collectively, a high level of endemism for several plant groups has been reported for this region. Biodiversity conservation should, in part, be informed by taxonomy, population status, and distribution of flora. One taxonomic impediment to species inventory and management is correct identification as conventional morphology‐based assessment is subject to several caveats. DNA barcoding can be a useful tool to quickly and accurately identify species and has the potential to prompt the discovery of new species. In this study, the ability of DNA barcoding to confirm the identities of 14 endangered endemic vascular plant species in Trinidad was assessed using three DNA barcodes (matK, rbcL, and rpoC1). Herbarium identifications were previously made for all species under study. matK, rbcL, and rpoC1 markers were successful in amplifying target regions for seven of the 14 species. rpoC1 sequences required extensive editing and were unusable. rbcL primers resulted in cleanest reads, however, matK appeared to be superior to rbcL based on a number of parameters assessed including level of DNA polymorphism in the sequences, genetic distance, reference library coverage based on BLASTN statistics, direct sequence comparisons within “best match” and “best close match” criteria, and finally, degree of clustering with moderate to strong bootstrap support (>60%) in neighbor‐joining tree‐based comparisons. The performance of both markers seemed to be species‐specific based on the parameters examined. Overall, the Trinidad sequences were accurately identified to the genus level for all endemic plant species successfully amplified and sequenced using both matK and rbcL markers. DNA barcoding can contribute to taxonomic and biodiversity research and will complement efforts to select taxa for various molecular ecology and population genetics studies.
The Effect of Proximal Functionality on the Allylic Azide Equilibrium
Authors: Packard Mary H. , Cox James H. , Suding Victoria P. , Topczewski Joseph J.
Published: August 2017

This report describes an investigation into the effect that proximal functionality has on the allylic azide equilibrium. We report 16 allylic azides with varied functionality from three subclasses. We observe a correlation of % branched azide to the pKa of the OR group. We also observe that RN–H azides have a higher % branched azide relative the corresponding RN–Bn compound. These two effects combine to describe the observed equilibrium for the known compound hydroxy‐crotyl azide. DFT calculations support several stereoelectronic effects that contribute to the relative energetics.
High‐Pressure‐Promoted Multicomponent and Metal‐Free Synthesis of Polyfunctionalized Biaryls
Authors: Minuti Lucio , Piazzolla Francesca , Temperini Andrea
Published: August 2017

An efficient and metal‐free synthesis of biaryls and heterobiaryls has been developed through a key three‐component reaction involving benzylideneacetones, isopropenyl acetate and methyl propiolate under high pressure (9 kbar) and mild reaction temperatures (40 °C). The described synthetic protocol provides rapid access to novel, highly functionalized and metal‐uncontamined 1,1′‐biaryls and heterobiaryls in an energy‐ and step‐economic fashion.
Progression of regional atrophy in the left hemisphere contributes to clinical and cognitive deterioration in multiple sclerosis: A 5‐year study
Authors: Preziosa Paolo , Pagani Elisabetta , Mesaros Sarlota , Riccitelli Gianna C. , Dackovic Jelena , Drulovic Jelena , Filippi Massimo , Rocca Maria A.
Published: August 2017

In this longitudinal study, we investigated the regional patterns of focal lesions accumulation, and gray (GM) and white matter (WM) atrophy progression over a five‐year follow‐up (FU) in multiple sclerosis (MS) patients and their association with clinical and cognitive deterioration. Neurological, neuropsychological and brain MRI (dual‐echo and 3D T1‐weighted sequences) assessments were prospectively performed at baseline (T0) and after a median FU of 4.9 years from 66 MS patients (including relapse‐onset and primary progressive MS) and 16 matched controls. Lesion probability maps were obtained. Longitudinal changes of GM and WM volumes and their association with clinical and cognitive deterioration were assessed using tensor‐based morphometry and SPM12. At FU, 36/66 (54.5%) MS patients showed a significant disability worsening, 14/66 (21.2%) evolved to a worse clinical phenotype, and 18/63 (28.6%) developed cognitive deterioration. At T0, compared to controls, MS patients showed a widespread pattern of GM atrophy, involving cortex, deep GM and cerebellum, and atrophy of the majority of WM tracts, which further progressed at FU (P < 0.001, uncorrected). Compared to stable patients, those with clinical and cognitive worsening showed a left‐lateralized pattern of GM and WM atrophy, involving deep GM, fronto‐temporo‐parieto‐occipital regions, cerebellum, and several WM tracts (P < 0.001, uncorrected).GM and WM atrophy of relevant brain regions occur in MS after 5 years. A different vulnerability of the two brain hemispheres to irreversible structural damage may be among the factors contributing to clinical and cognitive worsening in these patients. Hum Brain Mapp 38:5648–5665, 2017. © 2017 Wiley Periodicals, Inc.
Intrinsic functional connectivity variance and state‐specific under‐connectivity in autism
Authors: Chen Heng , Nomi Jason S. , Uddin Lucina Q. , Duan Xujun , Chen Huafu
Published: August 2017

Autism spectrum disorder (ASD) is a neurodevelopmental condition associated with altered brain connectivity. Previous neuroimaging research demonstrates inconsistent results, particularly in studies of functional connectivity in ASD. Typically, these inconsistent findings are results of studies using static measures of resting‐state functional connectivity. Recent work has demonstrated that functional brain connections are dynamic, suggesting that static connectivity metrics fail to capture nuanced time‐varying properties of functional connections in the brain. Here we used a dynamic functional connectivity approach to examine the differences in the strength and variance of dynamic functional connections between individuals with ASD and healthy controls (HCs). The variance of dynamic functional connections was defined as the respective standard deviations of the dynamic functional connectivity strength across time. We utilized a large multicenter dataset of 507 male subjects (209 with ASD and 298 HC, from 6 to 36 years old) from the Autism Brain Imaging Data Exchange (ABIDE) to identify six distinct whole‐brain dynamic functional connectivity states. Analyses demonstrated greater variance of widespread long‐range dynamic functional connections in ASD (P < 0.05, NBS method) and weaker dynamic functional connections in ASD (P < 0.05, NBS method) within specific whole‐brain connectivity states. Hypervariant dynamic connections were also characterized by weaker connectivity strength in ASD compared with HC. Increased variance of dynamic functional connections was also related to ASD symptom severity (ADOS total score) (P < 0.05), and was most prominent in connections related to the medial superior frontal gyrus and temporal pole. These results demonstrate that greater intraindividual dynamic variance is a potential biomarker of ASD. Hum Brain Mapp 38:5740–5755, 2017. © 2017 Wiley Periodicals, Inc.
Dorsal and palmar aspect dimensions of hand anthropometry for designing hand tools and protections
Authors: Vergara M. , Agost M. J. , Gracia‐Ibáñez V.
Published: August 2017

Most hand anthropometric studies are performed on the palmar aspect, while dimensions of the dorsal aspect are also useful in ergonomics and hand modeling. A survey of hand anthropometrics for a Spanish population (69 females, 70 males) is presented. Landmarks were selected to compare lengths from the dorsal and palmar aspects and to be useful for hand modeling and ergonomics design. Ninety‐nine dimensions of fingers and thumb of the right hand (41 lengths, 32 depths, 26 breadths) were collected, including thumb breadths and depths. Descriptive statistics of all the dimensions are presented. Lengths were measured from both dorsal and palmar aspects and paired lengths compared through t‐tests. Significant differences were found in almost all the lengths, showing that databases should explicitly state the aspect (dorsal or palmar) where dimensions have been measured. The data provided are useful for designing tools and hand protections and developing hand models more accurately.
Circulating mitochondrial stress 70 protein/mortalin and cytosolic Hsp70 in blood: Risk indicators in colorectal cancer
Authors: Jubran Ritta , Kocsis Judit , Garam Nóra , Maláti Éva , Gombos Tímea , Barabás Loránd , Gráf László , Prohászka Zoltán , Fishelson Zvi
Published: August 2017

Mitochondrial mortalin and cytosolic Hsp70 are essential chaperones overexpressed in cancer cells. Our goals were to reproduce our earlier findings of elevated circulating levels of mortalin and Hsp70 in colorectal cancer (CRC) patients with a larger patient cohort, to compare death risk assessment of mortalin, Hsp70, CEA and C19‐9 and to assess their prognostic value in various CRC stages. Mortalin, Hsp70, CEA and CA19‐9 levels were determined in sera of 235 CRC patients enrolled in the study and followed up 5 years after surgery. Association between their concentrations and patients' survival was analyzed by Kaplan–Meier estimator and subjected to Cox Proportional hazards analysis. Serum level of mortalin was independent of that of Hsp70, CEA and CA19‐9, whereas Hsp70 level weakly correlated with CEA and CA19‐9 levels. Improved short‐term survival was found in early or advanced disease stages associated with lower mortalin and Hsp70 levels. Cox regression analysis showed a high mortality hazard (HR = 3.7, p < 0.001) in patients with both high mortalin and Hsp70 circulating levels. Multivariate analysis showed that high mortalin and Hsp70 significantly enhances risk score over a baseline model of age, number of affected lymph nodes, CEA, CA19‐9, disease stage and perioperative therapy. Analysis of mortalin and Hsp70 in CRC patients' sera adds a high prognostic value to TNM stage and to CEA and CA19‐9 and identifies patients with lower or higher survival probability in all CRC stages. Determination of mortalin and Hsp70 in blood could be a useful additive prognostic tool in guiding clinical management of patients.
Use of antidepressants and risk of epithelial ovarian cancer
Authors: Mørch Lina S. , Dehlendorff Christian , Baandrup Louise , Friis Søren , Kjær Susanne K.
Published: August 2017

Antidepressants are widely prescribed among women to treat depression and anxiety disorders, but studies of their effects on gynecological cancer risk are sparse. We assessed associations between various antidepressants and risk of epithelial ovarian cancer. By using Danish nationwide registers, we identified all women (cases) aged 30–84 years with incident epithelial (serous, endometrioid, clear cell or mucinous) ovarian cancer during 2000–2011 (n = 4,103) and matched each case to 20 population controls (n = 58,706) by risk‐set matching. Data on drug use (including tricyclic and related antidepressants, selective serotonin reuptake inhibitors, other antidepressants, and potential confounder drugs), medical and reproductive history and socioeconomic parameters, were obtained from nationwide registries. We used conditional logistic regression models to estimate adjusted odds ratios (ORs) and two‐sided 95% confidence intervals (CIs) for epithelial ovarian cancer associated with antidepressive drug use. Compared with non‐use, use of selective serotonin reuptake inhibitors was associated with a decreased risk of ovarian cancer (OR, 0.85; 95% CI, 0.74–0.96), whereas the associations for other antidepressants were close to unity [tricyclic and related antidepressants: OR, 0.99 (95% CI, 0.78–1.26); other antidepressants: OR, 1.05 (95% CI, 0.76–1.46)]. For individual types of SSRI, reduced ORs were observed for citalopram OR, 0.78 (95% CI, 0.66–0.93), paroxetine 0.79 (95% CI, 0.56–1.12) and sertraline 0.80 (95% CI, 0.60–1.08). Among postmenopausal women, the inverse association was restricted to users of menopausal hormone therapy. In conclusion, use of selective serotonin reuptake inhibitors was associated with a decreased risk of epithelial ovarian cancer; thereby implying potential chemopreventive properties of these drugs.
Identification of expression quantitative trait loci (eQTLs) in human peripheral blood mononuclear cells (PBMCs) and shared with liver and brain
Authors: He Pei , Xia Wei , Wang Lan , Wu Jian , Guo Yu‐Fan , Zeng Ke‐Qin , Wang Ming‐Jun , Bing Peng‐Fei , Xie Fang‐Fei , Lu Xin , Zhang Yong‐Hong , Lei Shu‐Feng , Deng Fei‐Yan
Published: August 2017

PBMCs are essential for immunity and involved in various diseases. To identify genetic variations contributing to PBMCs transcriptome‐wide gene expression, we performed a genome‐wide eQTL analysis by using genome‐wide SNPs data and transcriptome‐wide mRNA expression data. To assess whether there are common regulation patterns shared among different tissues/organs, public datasets were utilized to identify common eQTLs shared with PBMCs in lymphoblastoid, monocytes, liver, and brain. Allelic expression imbalance (AEI) assay was employed to validate representative eQTLs identified. We identified 443 cis‐ and 2386 trans‐eSNPs (FDR <0.05), which regulated 128 and 635 target genes, respectively. A transcriptome‐wide expression regulation network was constructed, highlighting the importance of 28 pleiotropic eSNPs and 18 dually (cis‐ and trans‐) regulated genes. Three genes, that is, TIPRL, HSPB8, and EGLN3, were commonly regulated by hundreds of eSNPs and constituted a very complex interaction network. Strikingly, the missense SNP rs371513 trans‐ regulated 25 target genes, which were functionally related to poly(A) RNA binding. Among 8904 eQTLs (P < 0.001) identified herein in PBMCs, a minority (163) was overlapped with lymphoblastoid, monocytes, liver, and/or brain. Besides, two cis‐eSNPs in PBMC were confirmed by AEI. The present results demonstrated a comprehensive expression regulation network for human PBMCs and may provide novel insights into the pathogenesis of immunological diseases related to PBMCs.
Evidence of increasing diversification of Zika virus strains isolated in the American continent
Authors: Aldunate Fabián , Gámbaro Fabiana , Fajardo Alvaro , Soñora Martín , Cristina Juan
Published: August 2017

Zika virus (ZIKV) is a member of the family Flaviviridae. ZIKV emerged in Brazil in 2015, causing an unprecedented epidemic and since then the virus has rapidly spread throughout the Americas. These facts highlight the need of detailed phylogenetic studies to understand the emergence, spread, and evolution of ZIKV populations. For these reasons, a Bayesian coalescent Markov Chain Monte Carlo analysis of complete genome sequences of ZIKV strains recently isolated in the American continent was performed. The results of these studies revealed an increasing diversification of ZIKV strains in different genetic lineages and co‐circulation of distinct genetic lineages in several countries in the region. The time of the most recent common ancestor (tMRCA) was established to be around February 20, 2014 for ZIKV strains circulating in the American region. A mean rate of evolution of 1.55 × 10−3 substitutions/site/year was obtained for ZIKV strains included in this study. A Bayesian skyline plot indicate a sharp increase in population size from February 2014 to July 2015 and a decline during 2016. These results are discussed in terms of the emergence and evolution of ZIKV populations in the American continent.
Applications of optogenetic and chemogenetic methods to seizure circuits: Where to go next?
Authors: Forcelli Patrick A.
Published: August 2017

Epilepsy is the quintessential circuit disorder, with seizure activity propagating through anatomically constrained pathways. These pathways, necessary for normal sensory, motor, and cognitive function, are hijacked during seizures. Understanding the network architecture at the level of both local microcircuits and distributed macrocircuits may provide new therapeutic avenues for the treatment of epilepsy. Over the past decade, optogenetic and chemogenetic tools have enabled previously impossible levels of functional circuit mapping in neuroscience. In this review, examples of the application of optogenetics and chemogenetics to epilepsy are raised, the comparative strengths and weaknesses of these approaches are discussed for both preclinical and translational applications, and recent applications of these approaches in other areas of neuroscience are highlighted. These points are raised in an effort to highlight the potential of these methods to address additional unanswered questions in epilepsy.
Ultra high performance liquid chromatography coupled with electrospray ionization/quadrupole time‐of‐flight mass spectrometry for the rapid analysis of constituents in the traditional Chinese medicine formula Wu Ji Bai Feng Pill
Authors: Duan Shengnan , Qi Wen , Zhang Siwen , Huang Kunkun , Yuan Dan
Published: August 2017

An ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight mass spectrometry method in both positive and negative ion modes was established in order to comprehensively investigate the major constituents in Wu Ji Bai Feng Pill. Briefly, a Waters ACQUITY UPLC HSS C18 column was used to separate the aqueous extract of Wu Ji Bai Feng Pill. A total of 0.1% formic acid in acetonitrile and 0.1% aqueous formic acid v/v were used as the mobile phase. All analytes were determined using quadrupole time‐of‐flight mass spectrometry with electrospray ionization source in positive and negative ion modes. At length, a total of 173 components including flavones and their glycosides, monoterpene glycosides, triterpene saponins, phenethylalchohol glycosides, iridoid glycosides, phthalides, tanshinones, phenolic acids, sesquiterpenoids and cyclopeptides were identified or tentatively characterized in Wu Ji Bai Feng Pill in an analysis of 16.0 min based on the accurate mass and tandem mass spectrometry behaviors. The developed method is rapid and highly sensitive to characterize the chemical constituents of Wu Ji Bai Feng Pill, which could not only be used for chemical standardization and quality control of Wu Ji Bai Feng Pill, but also be helpful for further study in vivo metabolism of Wu Ji Bai Feng Pill.
Comprehensive headspace gas chromatographic analysis of denaturants in denatured ethanol
Authors: van Boxtel Niels , Wolfs Kris , Guillén Palacín Marta , Van Schepdael Ann , Adams Erwin
Published: August 2017

To discourage consumption, ethanol is often denatured using both volatile (e.g., methyl ethyl ketone and isopropanol) and nonvolatile (e.g., denatonium benzoate) chemical substances. As a result, the analysis of denatured ethanol samples is usually performed by multiple techniques such as gas chromatography for the volatile denaturants and liquid chromatography for the nonvolatile ones. However, the need for multiple techniques increases the cost of analysis and forms a severe obstruction for on‐site product control. Using the full evaporation technique combined with gas chromatography and flame ionization detection, only one analytical methodology has to be used here to determine both volatile and nonvolatile denaturants in denatured ethanol. Denatonium benzoate is determined as benzyl chloride following an in‐vial reaction. Compared to conventional techniques, the novel method performs equally well, but it is simpler to apply. At the same time, drawbacks of alternative methods are circumvented such as equilibration issues and alterations to the stationary phase when using liquid chromatography with ion pairing agents or matrix effects when applying static headspace gas chromatography. The developed method showed good linearity, repeatability, and recovery toward all analytes and was applied to the analysis of commercial denatured ethanol for disinfection and ethanol‐based windscreen washer fluids.
Bounds for Shannon and Zipf‐Mandelbrot entropies
Authors: Adil Khan Muhammad , Pečaric Đilda , Pečarić Josip
Published: August 2017

Shannon and Zipf‐Mandelbrot entropies have many applications in many applied sciences, for example, in information theory, biology and economics, etc. In this paper, we consider two refinements of the well‐know Jensen inequality and obtain different bounds for Shannon and Zipf‐Mandelbrot entropies. First of all, we use some convex functions and manipulate the weights and domain of the functions and deduce results for Shannon entropy. We also discuss their particular cases. By using Zipf‐Mandelbrot laws for different parameters in Shannon entropies results, we obtain bounds for Zipf‐Mandelbrot entropy. The idea used in this paper for obtaining the results may stimulate further research in this area, particularly for Zipf‐Mandelbrot entropy.
Heterogeneity in reporting on urinary outcome and cure after surgical interventions for stress urinary incontinence in adult neuro‐urological patients: A systematic review
Authors: Reuvers Sarah H.M. , Groen Jan , Scheepe Jeroen R. , ‘t Hoen Lisette A. , Castro‐Diaz David , Padilla‐Fernández Bárbara , Del Popolo Giulio , Musco Stefania , Pannek Jürgen , Kessler Thomas M. , Schneider Marc P. , Karsenty Gilles , Phé Veronique , Hamid Rizwan , Ecclestone Hazel , Blok Bertil F.M.
Published: August 2017

Aims

To describe all outcome parameters and definitions of cure used to report on outcome of surgical interventions for stress urinary incontinence (SUI) in neuro‐urological (NU) patients.

Methods

This systematic review was performed and reported according to the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses (PRISMA) statement. The study protocol was registered and published (CRD42016033303; http://www.crd.york.ac.uk/PROSPERO). Medline, Embase, Cochrane controlled trials databases, and clinicaltrial.gov were systematically searched for relevant publications until February 2017.

Results

A total of 3168 abstracts were screened. Seventeen studies reporting on SUI surgeries in NU patients were included. Sixteen different outcome parameters and nine definitions of cure were used. Six studies reported on objective outcome parameters mainly derived from urodynamic investigations. All studies reported on one or more subjective outcome parameters. Patient‐reported pad use (reported during interview) was the most commonly used outcome parameter. Only three of 17 studies used standardized questionnaires (two on impact of incontinence and one on quality of life). Overall, a high risk of bias was found.

Conclusions

We found a considerable heterogeneity in outcome parameters and definitions of cure used to report on outcome of surgical interventions for SUI in NU patients. The results of this systematic review may begin the dialogue to a future consensus on this topic. Standardization of outcome parameters and definitions of cure would enable researchers and clinicians to consistently compare outcomes of different studies and therapies.
Smoking is associated with hypermethylation of the APC 1A promoter in colorectal cancer: the ColoCare Study
Authors: Barrow Timothy M , Klett Hagen , Toth Reka , Böhm Jürgen , Gigic Biljana , Habermann Nina , Scherer Dominique , Schrotz‐King Petra , Skender Stephanie , Abbenhardt‐Martin Clare , Zielske Lin , Schneider Martin , Ulrich Alexis , Schirmacher Peter , Herpel Esther , Brenner Hermann , Busch Hauke , Boerries Melanie , Ulrich Cornelia M , Michels Karin B
Published: August 2017

Smoking tobacco is a known risk factor for the development of colorectal cancer and for mortality associated with the disease. Smoking has been reported to be associated with changes in DNA methylation in blood and in lung tumour tissues, although there has been scant investigation of how epigenetic factors may be implicated in the increased risk of developing colorectal cancer. To identify epigenetic changes associated with smoking behaviours, we performed epigenome‐wide analysis of DNA methylation in colorectal tumours from 36 never‐smokers, 47 former smokers, and 13 active smokers, and in adjacent mucosa from 49 never‐smokers, 64 former smokers, and 18 active smokers. Our analyses identified 15 CpG sites within the APC 1A promoter that were significantly hypermethylated and 14 CpG loci within the NFATC1 gene body that were significantly hypomethylated (pLIS < 1 × 10−5) in the tumours of active smokers. The APC 1A promoter was hypermethylated in 7 of 36 tumours from never‐smokers (19%), 12 of 47 tumours from former smokers (26%), and 8 of 13 tumours from active smokers (62%). Promoter hypermethylation was positively associated with duration of smoking (Spearman rank correlation, ρ = 0.26, p = 0.03) and was confined to tumours, with hypermethylation never being observed in adjacent mucosa. Further analysis of adjacent mucosa revealed significant hypomethylation of four loci associated with the TNXB gene in tissue from active smokers. Our findings provide exploratory evidence for hypermethylation of the key tumour suppressor gene APC being implicated in smoking‐associated colorectal carcinogenesis. Further work is required to establish the validity of our observations in independent cohorts. Copyright © 2017 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Organophosphorous ligands in hydrogenase‐inspired iron‐based catalysts: A DFT study on the energetics of metal protonation as a function of P‐atom substitution
Authors: Rovaletti Anna , Greco Claudio
Published: August 2017

The present paper reports a study on the energetics of protonation of a hydrogenase biomimetic complex, [Fe2(μ‐adt)(CO)4(PMe3)2] (adt = N‐benzylazadithiolate), and of its homologue featuring triphenylphosphine ligands in place of trimethylphosphines. Formation of a terminal hydride on one of the Fe centres was considered first, given the key relevance of terminal hydride species in the enzymatic mechanism. Theoretical calculations highlight that, in a vacuum, terminal protonation of the selected Fe ion in the PPh3‐bearing organometallic complex is highly favoured when compared to the analogous reaction involving the PMe3‐containing species, but the trend is inverted in the case of models optimized in a continuum polarizable. An unexpected parallel is thus established between relative basicities of PPh3 and PMe3 in vacuum or in solution phase [C. A. Tolman, J. Am. Chem. Soc. 1970, 92, 2953; G. M. Bancroft, Inorg. Chem. 1986, 25, 3675], and the energetics of terminal hydride formation upon protonation of [FeFe]‐hydrogenase biomimetic complexes bearing such organophosphorous ligands. Bridging hydride formation was also considered in the present study: calculations showed that protonation of the PMe3‐bearing organometallic complex is again strongly favoured in vacuo, as compared to the case of the PPh3‐containing model. However, protonation energies become significantly smaller when solvent effects are taken into account. Such differences between protonation reactions modelled in vacuo and in the polarizable continuum are rationalized in light of the different electrostatic properties of the diiron complexes here considered. Implications for the design and modelling of biomimetic catalysts are briefly discussed in light of recent literature.
Electronic and Magnetic Properties of Black Phosphorus
Authors: Márkus Bence G. , Simon Ferenc , Nagy Károly , Fehér Titusz , Wild Stefan , Abellán Gonzalo , Chacón‐Torres Julio C. , Hirsch Andreas , Hauke Frank
Published: August 2017

Black phosphorus (bP) has emerged as the next member in the graphene inspired two‐dimensional materials family. Its electronic and magnetic properties are studied herein using electron and nuclear magnetic resonance techniques (ESR and NMR) and microwave conductivity measurement. The latter is a unique technique to study conductivity on air sensitive samples. The ESR study indicates the absence of free charge carriers and no sign of paramagnetic defects are found. 31P NMR shows the presence of a characteristic Pake doublet structure due to the interaction between I = 1/2 nuclei. Microwave conductivity shows, in accordance with the ESR results, that black phosphorus behaves as a semiconductor and we identify extrinsic and intrinsic charge carrier contributions to the conductivity and extracted the sizes of the gaps. ESR measurement also yields that bP might find applications as a microwave absorbent.
A simple and economical strategy for obtaining calibration plots for relative quantification of positional isomers of YYX/YXY triglycerides using high‐performance liquid chromatography/tandem mass spectrometry
Authors: Judge Elizabeth J. , Zheng Dong , Chivukula Swathilekha , Gakwaya Robert , Schostarez Sarah , Li Xingwen , Liriano Melissa , Evans Jason J.
Published: August 2017

Rationale

Positional analysis of intact triglycerides could provide greater insights into the link between fatty acid position and lipotoxic diseases. However, this methodology has been impeded by lack of commercial availability of positionally pure triglycerides. This work reports on a strategy for defining calibration plots for YXY/YYX triglyceride systems based on the product ion intensities in the collision‐induced dissociation spectra of ammoniated precursor ions.

Methods

A set of triglycerides were synthesized and analyzed by electrospray ionization tandem mass spectrometry using an ion trap mass spectrometer. The product ion spectra of the ammoniated precursor ions were collected for 42 triglyceride systems of the form YXY/YYX, where Y represents C16:0, C18:1(c‐9) and C20:4(cccc‐5,8,11,14). Three‐point calibration plots were prepared by plotting the relative abundance of the YY+ product ion vs. the relative abundance of the YYX positional isomer.

Results

The calibration plots were shown to give relative abundances of positional isomers accurate to within ±0.02 for most systems. Using an ion trap, under a controlled set of collision parameters, the slopes of the calibration plots can be used to compare the sensitivities of the product ion intensities to fatty acid position for various triglyceride systems. The average slopes of the calibration plots for the C16:0, C18:1(c‐9) and C20:4(cccc‐5,8,11,14) systems were 0.29 ± 0.05, 0.21 ± 0.05 and 0.045 ± 0.005, respectively.

Conclusions

While the presence of multiple unsaturated fatty acids tends to slightly decrease the slopes of the calibration plots, the data suggest that the sensitivities are sufficient for performing positional analysis of most triglyceride systems. However, the presence of unsaturated fatty acids that contain double bonds close to the carbonyl group, such as arachidonic acid, tends to dramatically decrease positional sensitivity.
Visualizing Zn2+ in Living Whole Organism Artemia by a Natural Fluorimetric Intermediate Siderophore
Authors: Mudhulkar Raju , Nair Ratish R. , Raval Ishan H. , Haldar Soumya , Chatterjee Pabitra B.
Published: August 2017

Aeruginic acid (H2L), a weakly fluorescent natural ionophore, was synthesized via one‐pot mechanochemical grinding at room‐temperature. This sulfur containing intermediate siderophore showed unique specificity towards Zn2+ in 100% water at physiological pH even in presence of other challenging metal ions particularly, paramagnetic metal ions such as Fe3+, Co2+, Ni2+, and Cu2+. H2L also displayed a naked eye observable instant color change under UV light in presence of Zn2+, in aqueous solution and in solid phase as well. The receptor H2L with 49 nM limit of detection, upon excitation at 360 nm, reversibly binds one equivalent Zn2+ as evidenced from Job's plot, ESI‐MS, and 1H NMR spectroscopy. Being fully water soluble, non‐toxic, and permeable in nature, this natural ionophore can visualize Zn2+ in the gastrointestinal tract of live whole brine shrimp Artemia. We are not aware of any report on bio‐imaging of Zn2+ in living organism.