bluuebunny/crossref_metadata_2025 huggingface dataset:
Structural Change and Economic Growth in the British Economy before the Industrial Revolution, 1500–1800
Authors: Wallis Patrick , Colson Justin , Chilosi David
Published: August 2018

Structural transformation is a key indicator of economic development. We present the first time series of male labor sectoral shares for England and Wales before 1800, using a large sample of probate and apprenticeship data to produce national- and county-level estimates. England experienced a rapid decline in the share of workers in agriculture between the early seventeenth and the beginning of the eighteenth centuries, associated with rising agricultural and especially industrial productivity; Wales saw few changes. Our results show that England experienced unusually early structural change and highlight the mid-seventeenth century as a turning point.
Earthly Reward to the Religious: Religiosity and the Costs of Public and Private Debt
Authors: Jiang Feng , John Kose , Li C. Wei , Qian Yiming
Published: August 2018

We document that a firm’s culture, specifically, its religiosity, affects its cost of debt. Firms in higher-religiosity counties have higher credit ratings and lower debt costs. The impact of religiosity is stronger for firms with greater information asymmetry and during recessions. Further, religiosity has additional explanatory power for the cost of bank loans (but not the cost of public bonds) beyond its impact through ratings. This supports the argument that banks have superior abilities in pricing soft information, such as corporate culture. Finally, the impact of religiosity is stronger when the lender is a small bank.
Developing a real-time PCR assay based on multiplex high-resolution melt-curve analysis: a pilot study in detection and discrimination of soil-transmitted helminth and schistosome species
Authors: Cunningham Lucas J. , Stothard J. Russell , Osei-Atweneboana Mike , Armoo Samuel , Verweij Jaco J. , Adams Emily R.
Published: August 2018

With the push towards control and elimination of soil-transmitted helminthiasis and schistosomiasis in low- and middle-income countries, there is a need to develop alternative diagnostic assays that complement the current in-country resources, preferably at a lower cost. Here, we describe a novel high-resolution melt (HRM) curve assay with six PCR primer pairs, designed to sub-regions of the nuclear ribosomal locus. Used within a single reaction and dye detection channel, they are able to discriminate Ancylostoma duodenale, Necator americanus, Strongyloides stercoralis, Ascaris lumbricoides, Trichuris trichiuria and Schistosoma spp. by HRM curve analysis. Here we describe the primers and the results of a pilot assessment whereby the HRM assay was tested against a selection of archived fecal samples from Ghanaian children as characterized by Kato–Katz and real-time PCR analysis with species-specific TaqMan hydrolysis probes. The resulting sensitivity and specificity of the HRM was 80 and 98.6% respectively. We judge the assay to be appropriate in modestly equipped and resourced laboratories. This method provides a potentially cheaper alternative to the TaqMan method for laboratories in lower resource settings. However, the assay requires a more extensive assessment as the samples used were not representative of all target organisms.
Barriers to Providing Prehospital Care to Ischemic Stroke Patients: Predictors and Impact on Care
Authors: Li Timmy , Cushman Jeremy T. , Shah Manish N. , Kelly Adam G. , Rich David Q. , Jones Courtney M. C.
Published: August 2018

Introduction

Ischemic stroke treatment is time-sensitive, and barriers to providing prehospital care encountered by Emergency Medical Services (EMS) providers have been under-studied.

Hypothesis/Problem

This study described barriers to providing prehospital care, identified predictors of these barriers, and assessed the impact of these barriers on EMS on-scene time and administration of tissue plasminogen activator (tPA) in the emergency department (ED).

Methods

A retrospective cohort study was performed using the Get With The Guidelines-Stroke (GWTG-S; American Heart Association [AHA]; Dallas, Texas USA) registry at two hospitals to identify ischemic stroke patients arriving by EMS. Variables were abstracted from prehospital and hospital medical records and merged with registry data. Barriers to care were grouped into themes. Logistic regression was used to identify predictors of barriers to care, and bi-variate tests were used to assess differences in EMS on-scene time and the proportion of patients receiving tPA between patients with and without barriers.

Results

Barriers to providing prehospital care were documented for 15.5% of patients: 29.6% related to access, 26.7% communication, 23.0% extrication and transportation, 20.0% refusal, and 14.1% assessment/management. Non-white and non-black race (OR: 3.69; 95% CI, 1.63-8.36) and living alone (OR: 1.53; 95% CI, 1.05-2.23) were associated with greater odds of barriers to providing care. The EMS on-scene time was ≥15 minutes for 70.4% of patients who had a barrier to care, compared with 49.0% of patients who did not (P<.001). There was no significant difference in the proportion of patients who were administered tPA between those with and without barriers to care (14.1% vs 19.2%; P=.159).

Conclusions

Barriers to providing prehospital care were documented for a sizable proportion of ischemic stroke patients, with the majority related to patient access and communication, and occurred more frequently among non-white and non-black patients and those living alone. Although EMS on-scene time was longer for patients with barriers to care, the proportion of patients receiving tPA in the ED did not differ.

LiT, CushmanJT, ShahMN, KellyAG, RichDQ, JonesCMC. Barriers to providing prehospital care to ischemic stroke patients: predictors and impact on care. Prehosp Disaster Med.2018;33(5):501–507.
The Sacred as Secular: State Control and Mosques Neutrality in Post-Revolutionary Tunisia
Authors: Donker Teije H.
Published: August 2018

How are the characteristics of state–religion relations defined? The following paper provides a critical response to the competition perspective in studies on secularization, secularism, and mobilized religion. It argues that actors differ in how religion and state should relate to public life, not the extent that they should be integral or separate from each other. This paper substantiates its argument by exploring how in Tunisia––in a context of revolutionary, social and political instability––a variety of positions were articulated regarding the preferred position of Islam in relation to, first, national identity and, second, state authority. This is done in direct reference to one particular contentious issue: State control over mosques in name of ensuring the partisan neutrality of religious spaces in the country. This paper builds on multiple fieldwork visits to Tunisia and specifically Sfax, during which 32 individuals were interviewed. In addition, this paper builds on hundreds of primary and secondary sources.
Landslide Database Reveals Uptick in Human-Caused Fatal Slides
Authors: Kornei Katherine
Published: August 2018

Records of nearly 5,000 landslides around the world show that human activities like construction, illegal mining, and hill cutting are increasingly responsible for fatal slides, particularly in Asia.
A New Appraisal of Lithospheric Structures of the Cordillera‐Craton Boundary Region in Western Canada
Authors: Chen Yunfeng , Gu Yu Jeffrey , Hung Shu‐Huei
Published: August 2018

The Western Canada Sedimentary Basin marks a boundary zone between the Precambrian North American craton and the Phanerozoic Cordillera. Its crystalline basement has documented more than 3 billion years of evolution history of western Laurentia. Here we conduct a high‐resolution survey of the mantle P and S wave velocities using finite‐frequency tomography. Our models show pronounced eastward increases of 4% P and 6% S wave velocities beneath the foreland region, which define a sharp seismic Cordillera‐Craton boundary. In the cratonic region, distinctive high‐ (>2%) velocity anomalies representing depleted mantle lithospheres are well correlated with major Precambrian crustal domains. The largest lithosphere thickness contrast coincides with the Snowbird Tectonic Zone, where the Hearne province extends down to ~300 km, nearly 100 km deeper than the Proterozoic terranes in northern Alberta. In the latter region, a pronounced cylindrical negative velocity anomaly extends subvertically from 75 to ~300‐km depth, which potentially results from significant tectonothermal modifications during subduction and/or plume activities. At the basin scale, mantle velocities show no apparent correlations with surface heat flux, suggesting a minimum mantle contribution to the regional thermal variability. Furthermore, the long‐wavelength isostatic gravity correlates negatively with the velocities, which confirms that the melt extraction from Precambrian cratons is responsible for the formation of highly depleted mantle lithospheres. Moreover, our model reveals the increased concentrations of kimberlites and lamproites near the zones of high horizontal velocity gradients. The distinct spatial pattern may reflect either preferential formation or eruption of potentially diamondiferous rocks at lithospheric weak zones near the western margin of Laurentia.
Kinematics of Late Quaternary Slip Along the Qishan‐Mazhao Fault: Implications for Tectonic Deformation on the Southwestern Ordos, China
Authors: Li Xinnan , Zhang Peizhen , Zheng Wenjun , Feng Xijie , Li Chuanyou , Pierce Ian K. D. , Xu Hongyan , Li Xiaoni , Ai Ming , Chen Gan , Dong Jinyuan , Liu Jinrui , Ren Guangxue
Published: August 2018

The northwest striking Qishan‐Mazhao fault (QMF) accommodates complex deformation in the Tibet‐Ordos transition zone. We studied the geologic and geomorphic expression of the QMF using interpretations of high‐resolution satellite images and structure‐from‐motion models combined with detailed field investigations. Displaced loess tablelands, stream channels, and fluvial terraces show that the QMF is predominately a left‐lateral strike‐slip fault with a minor normal component. The magnetic susceptibility and optically stimulated luminescence ages of offset fluvial terraces yield left‐lateral slip rates ranging from 0.5 to 1.0 mm/year. Regionally, the QMF and the Haiyuan fault (HYF) form a large right step, in which the Liupanshan Mountains are located. The QMF shares a similar orientation and sense of motion to the HYF, suggesting that the left‐lateral slip of the HYF is not completely absorbed as crustal shortening across the Liupanshan Mountains but is partially transferred to slip along the QMF.
Modeling the Effects of Turbulence on Hyporheic Exchange and Local‐to‐Global Nutrient Processing in Streams
Authors: Grant Stanley B. , Gomez‐Velez Jesus D. , Ghisalberti Marco
Published: August 2018

New experimental techniques are allowing, for the first time, direct visualization of mass and momentum transport across the sediment‐water interface in streams. These experimental insights are catalyzing a renaissance in our understanding of the role stream turbulence plays in a host of critical ecosystem services, including nutrient cycling. In this commentary, we briefly review the nature of stream turbulence and its role in hyporheic exchange and nutrient cycling in streams. A simple process‐based model, borrowed from biochemical engineering, provides the link between empirical relationships for grain‐scale turbulent mixing and nutrient processing at reach, catchment, continental, and global scales.
Reactive Transport Modeling of Swelling Processes in Clay‐sulfate Rocks
Authors: Schweizer Daniel , Prommer Henning , Blum Philipp , Siade Adam J. , Butscher Christoph
Published: August 2018

Swelling of clay‐sulfate rocks often causes large problems in geotechnical applications such as tunneling. The primary mechanism inducing the increase in rock volume is the chemical transformation of anhydrite to gypsum, which is triggered by the ingress of groundwater. In the present study, a novel conceptual and numerical modeling approach is developed that emphasizes the effect of groundwater flow in conjunction with the associated availability of water and changing geochemical conditions on the chemical transformation of anhydrite to gypsum. A reactive transport model was developed and hydraulic, reactive, and solute transport as well as mechanical model parameters were estimated through an inversion process, constrained by geodetic ground heave measurements from a study site in Staufen, Germany. The conceptual model of the swelling process was implemented numerically through a dual‐domain modeling approach, whereby the mobile domain accounts for solute transport along discontinuities, and the immobile reactive domain represents the matrix. A mass transfer process accounts for diffusive and/or capillary water transport into the matrix, where the rate‐limited transformation of anhydrite to gypsum takes place. The model calculates heave at the land surface depending on water inflow, the transformation of anhydrite into gypsum and the local stress conditions exerted by overburden pressure. The results show that the proposed reactive transport modeling approach is suitable to quantify the observed swelling‐induced heave at the study site with a plausible parameterization. The study also highlights that diffusion is a decisive factor for the effective rate of anhydrite dissolution and, therefore, the overall chemical transformation process.
Release of c-FLIP brake selectively sensitizes human cancer cells to TLR3-mediated apoptosis
Authors: Alkurdi Lugain , Virard François , Vanbervliet Béatrice , Weber Kathrin , Toscano Florent , Bonnin Marc , Le Stang Nolwenn , Lantuejoul Sylvie , Micheau Olivier , Renno Toufic , Lebecque Serge , Estornes Yann
Published: August 2018

Toll-like receptor 3 (TLR3) mediates innate immune responses by sensing viral dsRNA, but also induces apoptosis selectively in cancer cells. Our analysis by immunohistochemistry revealed that TLR3 is frequently overexpressed in 130 non-small cell lung cancer (NSCLC) patients’ samples compared with normal bronchial epithelium (P < 0.0001, Mann–Whitney test), supporting the therapeutic potential of TLR3 ligand for this type of cancer. However, a proportion of TLR3-expressing cancer cell lines, including NSCLC, remain resistant to TLR3-mediated apoptosis, and the underlying mechanism of resistance remains unclear. We here investigated the molecular basis conferring resistance to non-transformed vs. transformed cells against TLR3-mediated cell death. In non-transformed epithelial cells cellular FLICE-like inhibitory protein (c-FLIP) and cellular Inhibitor of APoptosis (cIAPs) ubiquitin ligases exerted an efficient double brake on apoptosis signaling. In contrast, releasing only one of these two brakes was sufficient to overcome the resistance of 8/8 cancer cell lines tested. Remarkably, the release of the c-FLIP, but not cIAPs, brake only results in the sensitization of all human cancer cells to TLR3-mediated apoptosis. Taking advantage of the difference between transformed and non-transformed cells, we developed a rational strategy by combining the chemotherapeutic agent paclitaxel, which decreases c-FLIP expression, with TLR3 ligand. This combination was highly synergistic for triggering apoptosis in cancer cells but not in non-transformed cells. In vivo, the combination of paclitaxel with dsRNA delayed tumor growth and prolonged survival in a mouse xenograft lung tumor model. In conclusion, combining the release of the c-FLIP brake with TLR3 ligand synergizes to selectively kill cancer cells, and could represent an efficient and safe therapy against TLR3-expressing cancers such as NSCLC.
CXCL1 derived from tumor-associated macrophages promotes breast cancer metastasis via activating NF-κB/SOX4 signaling
Authors: Wang Neng , Liu Weiping , Zheng Yifeng , Wang Shengqi , Yang Bowen , Li Min , Song Juxian , Zhang Fengxue , Zhang Xiaotong , Wang Qi , Wang Zhiyu
Published: August 2018

Tumor-associated macrophages (TAMs) have been implicated in the promotion of breast cancer growth and metastasis, and multiple TAM-secreted cytokines have been identified associating with poor clinical outcomes. However, the therapeutic targets existing in the loop between TAMs and cancer cells are still required for further investigation. Here in, cytokine array validated that C-X-C motif chemokine ligand 1 (CXCL1) is the most abundant chemokine secreted by TAMs, and CXCL1 can promote breast cancer migration and invasion ability, as well as epithelial–mesenchymal transition in both mouse and human breast cancer cells. QPCR screening further validated SOX4 as the highest responsive gene following CXCL1 administration. Mechanistic study revealed that CXCL1 binds to SOX4 promoter and activates its transcription via NF-κB pathway. In vivo breast cancer xenografts demonstrated that CXCL1 silencing in TAMs results in a significant reduction in breast cancer growth and metastatic burden. Bioinformatic analysis and clinical investigation finally suggested that high CXCL1 expression is significantly correlated with breast cancer lymph node metastasis, poor overall survival and basal-like subtype. Taken together, our results indicated that TAMs/CXCL1 promotes breast cancer metastasis via NF-κB/SOX4 activation, and CXCL1-based therapy might become a novel strategy for breast cancer metastasis prevention.
Novel AF1q/MLLT11 favorably affects imatinib resistance and cell survival in chronic myeloid leukemia
Authors: Li Wei , Ji Min , Lu Fei , Pang Yihua , Dong Xin , Zhang Jingru , Li Peng , Ye Jingjing , Zang Shaolei , Ma Daoxin , Ji Chunyan
Published: August 2018

Tyrosine kinase inhibitor treatment of chronic myeloid leukemia (CML) has demonstrated beneficial effects. However, resistance to tyrosine kinase inhibitors and disease relapse are still a challenge for CML therapy. In this study, we analyzed bone marrow samples from 149 CML patients and 15 control donors, and investigated the affect of AF1q on CML cell survival and engraftment in vitro and in vivo. We found that AF1q/MLLT11 expression was significantly upregulated in CML patients, especially in CD34+ CML cells. Elevated AF1q expression was associated with disease progression. Knockdown of AF1q enhanced imatinib sensitivity, induced apoptosis, and suppressed growth in CML cells. Moreover, AF1q deficiency sensitized CD34+ CML cells to imatinib. In contrast, upregulation of AF1q promoted cell survival, protected CML cells from imatinib-induced apoptosis, and increased engraftment of CML cells in vivo. We further identified a positive correlation between AF1q and CD44 expression in chronic phase CML patients and CD34+ CML cells. Importantly, AF1q contributes to imatinib-resistance in CML by regulating the expression of CD44. These findings reveal a novel BCR-ABL-independent pathway, AF1q/CD44, involves imatinib resistance in CML, thus representing a potential therapeutic target for imatinib-resistant CML patients.
PI3Ka-Akt1-mediated Prdm4 induction in adipose tissue increases energy expenditure, inhibits weight gain, and improves insulin resistance in diet-induced obese mice
Authors: Song No-Joon , Chang Seo-Hyuk , Kim Suji , Panic Vanja , Jang Byung-Hyun , Yun Ui Jeong , Choi Jin Hee , Li Zhen , Park Ki-Moon , Yoon Jung-Hoon , Kim Sunghwan , Yoo Jae Hyuk , Ling Jing , Thomas Kirk , Villanueva Claudio J. , Li Dean Y. , Ahn Jee-Yin , Ku Jin-Mo , Park Kye Won
Published: August 2018

Stimulation of white adipose tissue (WAT) browning is considered as a potential approach to treat obesity and metabolic diseases. Our previous studies have shown that phytochemical butein can stimulate WAT browning through induction of Prdm4 in adipocytes. Here, we investigated the effects of butein on diet-induced obesity and its underlying molecular mechanism. Treatment with butein prevented weight gains and improved metabolic profiles in diet-induced obese mice. Butein treatment groups also displayed higher body temperature, increased energy expenditure, and enhanced expression of thermogenic genes in adipose tissue. Butein also suppressed body weight gains and improved glucose and insulin tolerance in mice housed at thermoneutrality (30 °C). These effects were associated with adipose-selective induction of Prdm4, suggesting the role of Prdm4 in butein-mediated anti-obese effects. To directly assess the in vivo role of Prdm4, we generated aP2-Prdm4 transgenic mouse lines overexpressing Prdm4 in adipose tissues. Adipose-specific transgenic expression of Prdm4 recapitulated the butein’s actions in stimulating energy expenditure, cold tolerance, and thermogenic gene expression, resulting in prevention of obesity and improvement of metabolism. Mechanistically, direct inhibition of PI3Kα activity followed by selective suppression of its downstream Akt1 mirrored butein’s effect on Ucp1 expression and oxygen consumption. In addition, effects of butein were completely abolished in Akt1 KO mouse embryonic fibroblasts. Together, these studies demonstrate the role of butein in obesity and metabolic diseases, further highlighting that adipose PI3Kα–Akt1–Prdm4 axis is a regulator of energy expenditure.
Correlators in simultaneous measurement of non-commuting qubit observables
Authors: Atalaya Juan , Hacohen-Gourgy Shay , Martin Leigh S. , Siddiqi Irfan , Korotkov Alexander N.
Published: August 2018

One of the hallmarks of quantum mechanics is the impossibility of simultaneous measurement of non-commuting observables with projective measurements. This, however, can be circumvented by using continuous quantum measurements. Here we investigate the temporal correlations of the output signals of detectors continuously and simultaneously measuring the qubit observables σz and σz cosφ + σx sinφ, for various angles φ. Using the quantum Bayesian formalism, we obtain analytical expressions for the correlators, which we find to be in good agreement with those obtained from experimentally measured output signals. The agreement is particularly good for cross-correlators, even at times shorter than the cavity modes decay time. We further discuss how the correlators can be applied for parameter estimation, and use them to infer a small residual qubit Hamiltonian arising from calibration inaccuracy in the experimental data. Our work opens up new possibilities to perform quantum metrology based on temporal correlations of measured data.
FR58P1a; a new uncoupler of OXPHOS that inhibits migration in triple-negative breast cancer cells via Sirt1/AMPK/β1-integrin pathway
Authors: Urra Félix A. , Muñoz Felipe , Córdova-Delgado Miguel , Ramírez María Paz , Peña-Ahumada Bárbara , Rios Melany , Cruz Pablo , Ahumada-Castro Ulises , Bustos Galdo , Silva-Pavez Eduardo , Pulgar Rodrigo , Morales Danna , Varela Diego , Millas-Vargas Juan Pablo , Retamal Evelyn , Ramírez-Rodríguez Oney , Pessoa-Mahana Hernán , Pavani Mario , Ferreira Jorge , Cárdenas César , Araya-Maturana Ramiro
Published: August 2018

Highly malignant triple-negative breast cancer (TNBC) cells rely mostly on glycolysis to maintain cellular homeostasis; however, mitochondria are still required for migration and metastasis. Taking advantage of the metabolic flexibility of TNBC MDA-MB-231 cells to generate subpopulations with glycolytic or oxidative phenotypes, we screened phenolic compounds containing an ortho-carbonyl group with mitochondrial activity and identified a bromoalkyl-ester of hydroquinone named FR58P1a, as a mitochondrial metabolism-affecting compound that uncouples OXPHOS through a protonophoric mechanism. In contrast to well-known protonophore uncoupler FCCP, FR58P1a does not depolarize the plasma membrane and its effect on the mitochondrial membrane potential and bioenergetics is moderate suggesting a mild uncoupling of OXPHOS. FR58P1a activates AMPK in a Sirt1-dependent fashion. Although the activation of Sirt1/AMPK axis by FR58P1a has a cyto-protective role, selectively inhibits fibronectin-dependent adhesion and migration in TNBC cells but not in non-tumoral MCF10A cells by decreasing β1-integrin at the cell surface. Prolonged exposure to FR58P1a triggers a metabolic reprograming in TNBC cells characterized by down-regulation of OXPHOS-related genes that promote cell survival but comprise their ability to migrate. Taken together, our results show that TNBC cell migration is susceptible to mitochondrial alterations induced by small molecules as FR58P1a, which may have therapeutic implications.
Effects and controls of capacitive hysteresis in ionic liquid electrochemical measurements
Authors: Lucio Anthony J. , Shaw Scott K.
Published: August 2018

Capacitance vs. potential relationships help electrochemists better understand electrode–liquid interfacial behaviors.
Metallic carbide nanoparticles as stable and reusable substrates for sensitive surface-enhanced Raman spectroscopy
Authors: Bai Hua , Liu Wei , Yi Wencai , Li Xinshi , Zhai Junfeng , Li Junfang , Liu Jingyao , Yang Haifeng , Xi Guangcheng
Published: August 2018

Carbide SERS substrates: nearly monodispersed TaC nanoparticles with a strong plasma resonance effect are synthesized via a magnesium thermal reduction process. As non-noble metal SERS substrates, they offer high sensitivity, outstanding stability, and excellent recyclability.
Revisiting complexation thermodynamics of transplutonium elements up to einsteinium
Authors: Kelley Morgan P. , Bessen Nathan P. , Su Jing , Urban Matthew , Sinkov Sergey I. , Lumetta Gregg J. , Batista Enrique R. , Yang Ping , Shafer Jenifer C.
Published: August 2018

In contrast with previous literature, this report notes einsteium's chemistry is a continuation of the earlier actinide series.
Palladium-catalyzed sequential three-component reactions to access vinylsilanes
Authors: Zhou Bo , Lu Ailan , Shao Changdong , Liang Xinda , Zhang Yanghui
Published: August 2018

The intermolecular silylation reaction of C,C-palladacycles obtained from aryl halides and alkynes has been developed.
An anthraquinone–enzyme–peptide hybrid as a photo-switchable enzyme
Authors: Sotokawa Shota , Kitamura Takashi , Takahashi Daisuke , Toshima Kazunobu
Published: August 2018

The purpose-designed anthraquinone–horseradish peroxidase–cell penetrating peptide hybrid1exhibited cell permeability and enzymatic activity without photo-irradiation whereas significant self-degradation and loss of enzymatic activity occurred upon photo-irradiation in living cells.
Oriented nucleation and crystal growth of Ge-fresnoite (Ba2TiGe2O8) in 2BaO·TiO2·2GeO2 glasses with additional GeO2
Authors: Wisniewski Wolfgang , Dimitrijevic Jovana , Rüssel Christian
Published: August 2018

The oriented nucleation of Ge-fresnoite is clearly affected by increasing the amount of GeO2 in glasses of the mol composition 2BaO·TiO2·2GeO2 + xGeO2 (x = 0.0–1.5) while keeping the crystallization temperature constant. Bulk nucleation and growth selection occur in the bulk.
Distribution of zwitter-ionic tryptophan between the micelles of 1-dodecyl-3-methyl imidazolium and aqueous medium from molecular dynamic simulation
Authors: Belyaeva Elena A. , Vanin Aleksandr A. , Victorov Alexey I.
Published: August 2018

Molecular dynamic simulations of the zwitter-ionic tryptophan solubilization in micelles of 1-dodecyl-3-methylimidazolium bromide have been performed. The distribution of tryptophan depends strongly on the degree of counterion binding.
Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals
Authors: Eusterwiemann Steffen , Doerenkamp Carsten , Dresselhaus Thomas , Janka Oliver , Daniliuc Constantin G. , Pöttgen Rainer , Studer Armido , Eckert Hellmut , Neugebauer Johannes
Published: August 2018

Quantum chemically calculated exchange-coupling maps are employed to design verdazyl radical crystals with either ferromagnetic or antiferromagnetic behaviour.
Distinct spin–lattice and spin–phonon interactions in monolayer magnetic CrI3
Authors: Webster Lucas , Liang Liangbo , Yan Jia-An
Published: August 2018

Different magnetic ordering leads to distinct Raman response in monolayer CrI3.
The double exciton state of conjugated chromophores with strong diradical character: insights from TDDFT calculations
Authors: Canola Sofia , Casado Juan , Negri Fabrizia
Published: August 2018

We show that, for large diradical character and strong orbital localization, the double exciton state is captured by TDUB3LYP calculations.
A DFT investigation of the role of oxygen vacancies on the structural, electronic and magnetic properties of ATiO3 (A = Mn, Fe, Ni) multiferroic materials
Authors: Ribeiro R. A. P. , Longo E. , Andrés J. , de Lazaro S. R.
Published: August 2018

In order to achieve deep insight into the multiferroic behavior and electronic properties of intrinsic oxygen vacancies in ATiO3 (A = Mn, Fe, Ni), first-principles calculations were carried out for bulk and non-polar (110) surface models, showing that controlling oxygen vacancies can be a valuable strategy to tailor the multiferroic properties.
n- and p-type ohmic contacts at monolayer gallium nitride–metal interfaces
Authors: Guo Ying , Pan Feng , Ren Yajie , Yao Binbin , Yang Chuanghua , Ye Meng , Wang Yangyang , Li Jingzhen , Zhang Xiuying , Yan Jiahuan , Yang Jinbo , Lu Jing
Published: August 2018

Recently, two-dimensional (2D) gallium nitride (GaN) was experimentally fabricated, and has promising applications in next-generation electronic and optoelectronic devices.
Cobalt complexes of the chelating dicarboxylate ligand “esp”: a paddlewheel-type dimer and a heptanuclear coordination cluster
Authors: Pakula Ryan J. , Berry John F.
Published: August 2018

Reaction of CoCO3 with α,α,α′,α′-tetramethyl-1,3-benzenedipropionic acid (H2esp) in EtOH forms the paddlewheel-type dimer Co2(esp)2(EtOH)2, which hydrolyzes in MeCN to give a bowl-shaped heptacobalt coordination cluster complex; both compounds display antiferromagnetic interactions between high-spin Co(ii) ions.
Sustainable organophosphorus-catalysed Staudinger reduction
Authors: Lenstra Danny C. , Lenting Peter E. , Mecinović Jasmin
Published: August 2018

A highly efficient and sustainable organophosphorus-catalysed Staudinger reduction for the conversion of azides to amines in excellent yields is reported.
Rational construction of a DNA nanomachine for HIV nucleic acid ultrasensitive sensing
Authors: Zheng Jiao , Ji Xinghu , Du Mingyuan , Tian Songbai , He Zhike
Published: August 2018

A rational DNA nanomachine was constructed for HIV nucleic acid ultrasensitive sensing.
Artificial lithium fluoride surface coating on silicon negative electrodes for the inhibition of electrolyte decomposition in lithium-ion batteries: visualization of a solid electrolyte interphase using in situ AFM
Authors: Haruta Masakazu , Kijima Yuki , Hioki Ryuya , Doi Takayuki , Inaba Minoru
Published: August 2018

The surface deposition of reduced electrolytes on Si negative electrodes and its inhibition by an artificial coating were demonstrated using in situ AFM.
Roles of ERK1/2 and PI3K/AKT signaling pathways in mitochondria-mediated apoptosis in testes of hypothyroid rats
Authors: Yao Yueli , Chang Xiaoru , Wang Dong , Ma Haitao , Wang Huiling , Zhang Haojun , Li Chengyun , Wang Junling
Published: August 2018

The absence of the thyroid hormone (TH) could impair testicular function, but its mechanism is still rudimentary.
Application of stack marginalised sparse denoising auto‐encoder in fault diagnosis of rolling bearing
Authors: Zhang Junling , Chen Zhigang , Du Xiaolei , Xu Xu , Yu Miao
Published: August 2018

When a fracturing vehicle is working, it generally needs to bear high loads, media corrosion and erosion. For this special working environment, this study proposes a rolling bearing fault diagnosis method based on stack marginalised sparse denoising auto‐encoder (SDAE). This method combines the sparse auto‐encoder (SAE) and the denoising auto‐encoder (DAE) and combines the characteristics of dimensionality reduction and robustness. The method adds marginalisation to optimise the SDAE. Finally, it uses a two‐layer stacking method. The output results of the second marginalised SDAE are used as input to the softmax classifier for learning training and classification testing. This improved method (stack SDAE) improves the denoising ability, reduces the computational complexity, solves the problems of difficult parameter adjustment and slows training convergence. The experimental tests were carried out on the failure of pitting corrosion of the outer ring of the bearing, pitting failure of the inner ring, and cracking of the rolling element. The results show that the algorithm can effectively improve the accuracy of fault diagnosis of rolling bearings, and it has greatly improved than the algorithms of SAEs and DAE.
The role of AGN jets in the reionization epoch
Authors: Bosch-Ramon V.
Published: August 2018

The reionization of the Universe ends the dark ages that started after the recombination era. In the case of H, reionization finishes around z ~ 6. Faint star-forming galaxies are the best candidate sources of the H-ionizing radiation, although active galactic nuclei may have also contributed. We have explored whether the termination regions of the jets from active galactic nuclei may have contributed significantly to the ionization of H in the late reionization epoch, around z ~ 6−7. We assumed that, as it has been proposed, active galactic nuclei at z ~ 6 may have presented a high jet fraction, accretion rate, and duty cycle, and that non-thermal electrons contribute significantly to the pressure of jet termination regions. Empirical black-hole mass functions were adopted to characterize the population of active galactic nuclei. From all this, estimates were derived for the isotropic H-ionizing radiation produced in the jet termination regions, at z ~ 6, through inverse Compton scattering off CMB photons. We find that the termination regions of the jets of active galactic nuclei may have radiated most of their energy in the form of H-ionizing radiation at z ~ 6. For typical black-hole mass functions at that redshift, under the considered conditions (long-lasting, common, and very active galactic nuclei with jets), the contribution of these jets to maintain (and possibly enhance) the ionization of H may have been non-negligible. We conclude that the termination regions of jets from active galactic nuclei could have had a significant role in the reionization of the Universe at z ≳ 6.
Perinatal Outcome in Women with a Vietnamese Migration Background – Retrospective Comparative Data Analysis of 3000 Deliveries
Authors: Boxall Nicole , David Matthias , Schalinski Elisabeth , Breckenkamp Jürgen , Razum Oliver , Hellmeyer Lars
Published: August 2018

Introduction Perinatal data of women with a Vietnamese migration background have not been systematically studied in Germany to date. Numerous details of important maternal and child outcomes were compared and analysed. The studyʼs primary parameters were the frequency of and indication for c-section.

Methodology The perinatal data from a Berlin hospital were analysed retrospectively. The women (Vietnamese migration background vs. autochthonous) were grouped using name analysis. Datasets of 3002 women giving birth, including 999 women with a Vietnamese migration background, were included. The associations between primary or secondary cesarean delivery and different child outcomes depending on the migration background (exposure) were studied using logistical regression analysis.

Results Women with a Vietnamese migration background have a lower c-section rate of 8.0% for primary and 12.6% for secondary c-section than women without a migration background (11.1% primary and 16.4% secondary c-section respectively). Regression analysis shows that the odds that women with a Vietnamese migration background will have a primary (OR 0.75; p = 0.0884) or secondary c-section (OR 0.82; p = 0.1137) are not significantly lower. A Vietnamese migration background was associated with higher odds for an episiotomy but not for a grade 3 – 4 perineal tear. A Vietnamese migration background does not have a significant influence on poor 5-min Apgar scores ≤ 7 and low umbilical cord arterial pH values ≤ 7.10. Newborns of mothers with a Vietnamese migration background have higher odds of a relatively higher birth weight (> 3110 g).

Summary There was no evidence that women with a Vietnamese migration background are delivered more often by caesarean section. There were also no differences as regards important child outcome data from women in the comparator group. Overall, the results do not provide any evidence for poorer quality of care of women with a Vietnamese migration background in Berlin despite the cultural and communication barriers in the reality of care provision.
Synthesis of Trifluoromethyl Ketone Containing Amino Acid Building Blocks for the Preparation of Peptide-Based Histone Deacetylase (HDAC) Inhibitors
Authors: Olsen Christian , Moreno-Yruela Carlos
Published: August 2018

Trifluoromethyl ketones (TFMKs) are electrophilic moieties which hydrate readily in aqueous media to give geminal diols. This ability has been exploited for the development of histone deacetylase (HDAC) inhibitors, because HDAC enzymes contain a Zn2+ ion which may be chelated by this functionality. Interestingly, TFMKs are exceptional Zn2+-binding groups for targeting the intriguing class IIa HDAC isozymes, involved in transcription factor recruitment and gene regulation. Here, we have developed a scalable and inexpensive synthetic procedure for preparation of the enantiomerically pure TFMK-containing amino acid building block (S)-2-amino-9,9,9-trifluoro-8-oxononanoic acid (Atona). In addition, we propose a protecting group strategy applicable to automated solid-phase peptide synthesis and demonstrate the ability of Atona-containing peptides to inhibit the enzymatic activity of class IIa HDACs with nanomolar potency. We envision that this synthesis will motivate the further development of peptide-based probes for the study of class IIa HDACs.
Iterative Synthesis of Edge-Bent [3]Naphthylene
Authors: Xia Yan , Jin Zexin , Teo Yew , Teat Simon
Published: August 2018

Polycyclic conjugated hydrocarbons (PCHs) containing antiaromatic rings are of fundamental and technical interest. [N]naphthylene is an intriguing family of PCHs consisting of alternatingly fused naphthalenoids and antiaromatic cyclobutadienoids (CBDs). We recently reported the first three regioisomers of the [N]naphthylene family, synthesized by catalytic arene-norbornene annulation (CANAL) reaction followed by acidic aromatization. We now report an iterative strategy for CANAL synthesis allowing us to synthesize the forth regioisomer, edge-bent [3]naphthylene. The optoelectronic properties, local paratropicity, and crystal packing of the edge-bent [3]naphthylene were studied and compared with its closely related regioisomer, center-bent [3]naphthylene.
Catalyst-Free Photodriven Reduction of α-Haloketones with Hantzsch Ester
Authors: Yang Yong-Qing , Lu Zheng
Published: August 2018

Catalyst-free dehalogenation of α-haloketones under visible light irradiation is studied. The reactions were carried out in common organic solvent. The outcomes of dechlorination are excellent in yields up to 92%, and it is also applicable to bromides, which give even higher yields. The reaction is tolerable to a broad spectrum of substrates, especially to aromatic ketones, including various aryl and hetaryl groups. There are two examples of aliphatic ketones presented in the paper, although their reactivities are not as high as that of the aromatic ketones.
EXPRESSION OF PLATELET ALLOANTIGENS ON HUMAN ENDOTHELIAL CELLS AND HEL CELLS
Authors: Kawai Y , Montgomery R R , Furihata K , Kunicki T J
Published: August 2018

Analogs of platelet membrane glycoproteins IIb and IIIa (GPIIb-IIIa) have been shown to be synthesized and expressed by human endothelial cells (HEC), a human erythroleukemia cell line (HEL) and various other cells. Previous studies from our laboratory demonstrated that the platelet alloantigen P1A1, is expressed on HEC GPIIIa. Other alloantigen systems, namely, Pen and Bak, are known to be localized on platelet GPIIIa and GPIIb, respectively. Utilizing additional antibodies from patients with PTP specific for Pena, Baka, and Bakb allo-antigens, and isoantibodies (iso-ab) from a patient with Glanzmann's Thrombasthenia (GT), we have studied cultured HEC and HEL cells for expression of epitopes recognized by these antibodies. HEC and HEL cells were meta-bolically labeled with 35S-methionine and lysed in 0.5% TX-100 in the presence of 5mM EDTA. Soluble antigens were immunoprecipitated with these antibodies coupled to Protein A-Sepharose and subjected to SDS-PAGE and fluorography. Anti-Pena and the GT iso-ab reacted with the GPIIb-IIIa complex from both HEC and HEL lysates, but anti-Baka and anti-Bakb failed to immunoprecipitate GPIIb-IIIa analogs from either HEC or HEL. In an immunoblot assay, the GT iso-ab bound to GPIIIa of both HEC and HEL. Anti-Pena failed to react with SDS-denatured proteins. HEL GPIIIa migrates slightly faster than HEC GPIIIa and slightly slower than platelet GPIIIa. These results indicate that the epitopes of platelet GPIIIa recognized by alloantibodies and isoantibodies are shared by GPIIIa analogs of HEC and HEL. GPIIb-associated alloantigens are not expressed by HEC and HEL GPIIb analogs, an observation that is consistent with the decreased structural homology between GPIIb analogs derived from different cell types.
CULTURED HUMAN MICROVASCULAR ENDOTHELIAL CELLS SYNTHESIZE CYCLOOXYGENASE METABOLITES FROM ARACHIDONIC ACID IN RESPONSE TO LEUKOTRIENES C4 AND D4
Authors: Carreras L O , Maclouf J , Tobelem G , Caen J P
Published: August 2018

Several investigators have demonstrated that endothelial cells have heterogeneous intrinsic properties depending on their vascular origin. In this respect, very limited knowledge exists concerning the production of eicosanoids by human microvascular endothelial cells (HMEC). The aim of this study was to determine: 1) the pattern of the production of cyclooxygenase metabolites by cultured HMEC from omental adipose tissue as compared to the classical study of human umbilical vein endothelial cells (HUVEC); 2) the modification of this metabolism upon leukotrienes (LTs) stimulation. Cultured HMEC produced prostaglandin (PG) E2, PGF2 , 6-keto-PGF1 , and PGD2 (measured by enzymoimmunoassay). In basal conditions, PGD2 was the main product released in the supernatant. Upon stimulation with thrombin, arachidonic acid and calcium ionophore A23187, a marked increase in the production of PGE2, PGF2 , and 6-keto-PGFj , was observed; these results were quite different from HUVEC. In contrast, PGD2 remained unchanged under our experimental conditions and thromboxane B2 was always undetectable. In all cases, the release of PGE2 and PGF2 , was higher than that of 6-keto-PGFj . A considerable amount of the metabolites produced remained cell-associated. The total production (release + cell bound) of cyclooxygenase products was stimulated by LTC4 and LTD4 in a dose-dependent manner (10-9 to 10-6 M). The production of PGD2 was unchanged. LTC4 and LTD4 were almost equally potent, but LTB4 was unable to stimulate PG synthesis (n=4). The production of metabolites induced by 1 uM LTC4 or LTD4 was even higher than that obtained in the presence of high concentrations of thrombin (5 U/ml). This contrasted with the more pronounced stimulation of thrombin on HUVEC as compared to LTs. In the kinetic studies (n=2) we have observed a slow time-course of release of PGE2 and 6-keto-PGF1 into the supernatant of LTs-stimulated HMEC (half-maximal formation at 14-15 min). The stimulatory activity of LTC4 and LTD4 on the production of vasoactive cyclooxygenase metabolites by HMEC could be relevant in inflammatory processes.
MECHANISMS INVOLVED IN 5-HT STIMULATION OF PROSTACYCLIN PRODUCTION BY BOVINE AORTIC SMOOTH MUSCLE CELLS
Authors: Demolle D , Cragoe E J , Boeynaems J M
Published: August 2018

Serotonin (5-HT) stimulates prostacyclin (PGI2) production by bovine aortic smooth muscle cells in culture via 5-HT2 receptors (1). These cells express a synthetic phenotype (2), whereas the majority of the smooth muscle cells in the media from adult arteries are in a contractile state. We have now shown that 5-HT (1-10 μM) also stimulates PGI2 production by a preparation of contractile smooth muscle cells : explants from bovine aortic media cultured for short periods. This effect is independent from 5-HT2 receptors : it is only partially inhibited (±30%) by ketan-serin (a selective and potent 5-HT2 antagonist) and is perfectly mimicked by a 5-HT1 agonist, 5-carboxamidotryptamine. 5-HT2 receptors seem to be linked to a phospholipase C (3), with subsequent accumulation of inositol tr isphosphate , Ins(1,4,5)P3, and diacylglycerol, an activator of protein kinase C. We have observed a stimulatory effect of phorbol 12-myristate, 13-acetate (a selective activator of kinase C) on PGI2 production by the bovine aortic smooth muscle cells (synthetic state), whereas it was totally ineffective on media explants preparation (contractile state). Furthermore, in the smooth muscle cells in culture, the 5-HT effect can be inhibited by (ethyl-isopropyl)amiloride, a potent and selective inhibitor of the Na+/H+ antiporter. In conclusion it appears that the regulation mechanisms of PGI2 production in arterial smooth muscle cells are strongly dependent an the phenotypic state of these cells. The control of PGI2 release via 5-HT2 receptors seems to involve a cytoplasmic alkalinization, via the activation of protein kinase C. The mechanism of 5-HT action in the media explants remains to be elucidated.

(1) Coughlin, S.R. et al.: Proc . Natl. Acad. Sci. USA 78(11), 7134-7138, 1981.

(2) Chamley-Campbell, J.H. and Campbell, G.K.: Atherosclerosis 40, 347-357, 1981.

(3) Roth, B.L. et al.: J. Pharm. Exp. Ther. 238(2), 480-485, 1986.
ULTRASTRUCTURAL INVESTIGATIONS ON THE MECHANISM OF “SHEAR-INDUCED PLATELET ACTIVATION”
Authors: Wurzinger L J , Opitz R , Schmid-Schönbein H
Published: August 2018

High shear forces are suspected to play a triggering role in the initiation of arterial thrombosis, by activating platelets and the coagulation system. In an earlier study a shear stress of 170 N/m2 acting for only 7 milliseconds (ms) on platelet rich plasma (PRP) was found to induce a significant increase in platelet factor 3 availability (Thromb. Haemost. 54: 381-386; 1985). To clarify the question whether platelets can be activated directly by mechanical forces in analogy to smooth muscle cells, electron micrographs of platelets subjected to laminar shear stress were analysed with morphometric methods. The level of activation of platelet suspensions was quantified by assessing 1) the elongation of platelet profiles giving a measure for the “flatness” of the discoid resting platelets, and 2) the centralization of granules.

Exposure to a shear stress of 170 N/m2 for 113 ms leaves ca. 15 % of the platelets irreversibly damaged, featuring degenerative ballooning, with break-down of internal structure and cell membrane defects. The remaining 85 % appear typically activated with rounded shape, extension of pseudopods and centralization of granules. Addition of “ADP-scavengers” to the suspension medium totally changes the appearance of sheared platelets: still a comparable proportion of them has undergone irreversible degenerative changes, but the “surviving” population lacks ultrastructural signs of platelet activation. This is reflected in values of the morphometric parameters which are close to the level of unsheared control samples.

It is therefore concluded that “shear-induced platelet activation” cannot be ascribed to a direct stimulating effect of shear forces, but rather to secondary biochemical activation by adenine nucleotides leaking from a small percentage of shear destroyed platelets. The latter process, however, requires a well stirred though undiluted environment, as it is provided in vortices and eddies.