bluuebunny/crossref_metadata_2025 huggingface dataset:
Triethanolamine [MAK Value Documentation, 2016]
Authors: Hartwig A. ,   MAK Commission
Published: October 2017

The German Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area has re‐evaluated the maximum concentration at the work place (MAK value) of triethanolamine [
102‐71‐6
], considering the endpoints respiratory tract irritation and developmental toxicity.

Critical effect of triethanolamine is respiratory tract irritation (focal larynx inflammation). The previous MAK value of 5 mg/m
3
is based on 5‐day and 28‐day aerosol studies in rats with a LOAEC of 20 mg/m
3
. A benchmark calculation gives a BMDL05 of 14,1 mg/m
3
. Since 2014, the Commission uses an empirical approach to set MAK values for substances with critical effects on the upper respiratory tract or the eyes. Based on this approach, a concentration of 4,7 mg/m
3
for the work place air can be calculated from this BMDL05. Therefore the MAK value of 5 mg/m
3
is retained.

As local effects are critical, Peak Limitation Category I is retained. At an excursion factor of 2, the allowable maximum concentration is still below the BMDL05.

NOAEL for fetotoxicity are 300 mg/kg bw and day in rats and 1125 mg/kg body weight and day in mice . Teratogenicity was not tested. Nevertheless, because the calculated margins between NOAEL and MAK value are very high, and alkylamines lack teratogenicity, there is no reason to fear damage to the embryo or foetus when the MAK value is observed. Therefore, triethanolamine is assigned to Pregnancy Risk Group C.
Diazinon [MAK Value Documentation, 2015]
Authors: Hartwig A. ,   MAK Commission
Published: October 2017

The German Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area has re‐evaluated diazinon [
333‐41‐5
] considering all toxicological endpoints. Available publications and unpublished study reports are described in detail. The critical effect of diazinon is inhibition of the acetylcholinesterase (AChE) at the cholinergic synapses which is measured as AChE activity in erythrocytes and brain. A reduction to 70 and 80% of their respective activities prior to exposure is regarded as adverse. The corresponding NOAELs in subchronic or chronic feeding studies in rats, dogs and monkeys are 0.3, 0.75 and 0.17 mg/kg body weight and day, which are scaled to concentrations of 0.6, 4.5 and 0.7 mg/m
3
, respectively. Taking into account a possible enhancement of the effects over time, the maximum concentration at the workplace (MAK value) of 0.1 mg/m
3
for the inhalable fraction is confirmed. The MAK value is also supported by a 3‐week inhalation study in rats with a NOAEC of 0.46 mg/m
3
.

Since a systemic effect is critical, Peak Limitation Category II is retained. The renal elimination half‐life of the dialkyl phosphate metabolites of diazinon in humans is about 2 hours, so that the corresponding excursion factor of 2 is confirmed.

The NOAELs for developmental toxicity are 1.9 mg/kg body weight and day for rats and 100 mg/kg body weight and day for rabbits. As developmental neurotoxicity is induced only at higher doses, the offspring are less sensitive to the inhibition of AChE than the dams, and the margins between the calculated concentrations without effects and the MAK value are sufficiently large, the classification of diazinon in Pregnancy Risk Group C is retained.

Diazinon is not considered to be genotoxic, and therefore not regarded as a germ cell mutagen. In studies not reaching the maximum tolerated dose, diazinon is not carcinogenic in rats and mice. Skin contact is expected to contribute significantly to systemic toxicity, and diazinon remains designated with an “H”. Limited data in animals do not show a skin sensitizing potential.
Arsenic and its inorganic compounds (with the exception of arsine) [MAK Value Documentation, 2015]
Authors: Bader M. , Hartwig A. ,   MAK Commission
Published: October 2017

The German Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area has re‐evaluated the data available for absorption through the skin for arsenic [7440‐38‐2] and its inorganic compounds including gallium arsenide [1303‐00‐0]. Available publications are described in detail.

Dermal penetration has been demonstrated for pentavalent arsenic compounds, and it can also be assumed for trivalent arsenic compounds. The extent of skin penetration depends on the solubility of the substance. Arsenic and its inorganic compounds are classified in Category 1 for Carcinogenic Substances and in Category 3 A for Germ Cell Mutagens. No MAK value (maximum concentration at the workplace) could be established. No safe concentration range can therefore be estimated, so that an increased carcinogenic or genotoxic risk should be assumed even for low amounts absorbed percutaneously. Therefore, inorganic arsenic compounds, with the exception of arsenic itself and gallium arsenide, which are both very poorly soluble in water, are designated with an “H” (for substances that can be absorbed through the skin in toxicologically relevant amounts).
Barium sulfate (respirable fraction) [MAK Value Documentation, 2017]
Authors: Hartwig A. ,   MAK Commission
Published: October 2017

The German Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area has re‐evaluated barium sulfate [
7727‐43‐7
]. Barium sulfate is a biopersistent granular dust. Therefore, the respirable fraction of barium sulfate dust has been classified in Carcinogen Category 4 and a MAK value of 0.3 mg/m³ × material density was established for the respirable fraction in analogy to the other biopersistent granular dusts. This classification is based on animal data that showed increased tumor incidences in rats exposed to biopersistent granular dusts in the high dose range. These tumors are regarded to be a consequence of the inflammatory mechanism of action, for which thresholds can be defined. Direct genotoxic effects appear to be of subordinate relevance for the carcinogenicity of biopersistent granular dusts. In analogy to biopersistent granular dusts the Peak Limitation Category II was established for barium sulfate with an excursion factor of 8. Since barium sulfate is not systemically distributed and accumulates only locally in the lungs, no developmental effects due to this dust are expected to occur at the MAK value of 0.3 mg/m³ × material density (respirable, R‐fraction). Barium sulfate has accordingly been classified in Pregnancy Risk Group C. Barium sulfate is not designated with either “Sa” or “Sh” or “H”.
Connected cruise control with delayed feedback and disturbance: An adaptive dynamic programming approach
Authors: Huang Mengzhe , Gao Weinan , Jiang Zhong‐Ping
Published: October 2017

This paper studies the connected cruise control problem for a platoon of human‐operated and autonomous vehicles. The autonomous vehicles can receive motional data, ie, headway and velocity information from other vehicles by wireless vehicle‐to‐vehicle communication. The use of wireless communications in information exchange between vehicles inevitably causes input delay in the platooning system. Meanwhile, unpredictable behaviors of the leading vehicle constitute exogenous disturbance for the system. An adaptive optimal control problem with input delay and disturbance is formulated, and a novel data‐driven control solution is proposed such that each vehicle in the platoon can achieve safe distance and desired velocity. By adopting an adaptive dynamic programming technique with sampled‐data system theory, a data‐driven adaptive optimal control approach is proposed for autonomous vehicles by the learning strategies of policy iteration without the accurate knowledge of the dynamics of all human drivers and vehicles. The efficacy of the proposed controller is substantiated by rigorous analysis and validated by simulation results in different scenarios.
High Mobility WS2 Transistors Realized by Multilayer Graphene Electrodes and Application to High Responsivity Flexible Photodetectors
Authors: Aji Adha Sukma , Solís‐Fernández Pablo , Ji Hyun Goo , Fukuda Kenjiro , Ago Hiroki
Published: October 2017

The electrical contact is one of the main issues preventing semiconducting 2D materials to fulfill their potential in electronic and optoelectronic devices. To overcome this problem, a new approach is developed here that uses chemical vapor deposition grown multilayer graphene (MLG) sheets as flexible electrodes for WS2 field‐effect transistors. The gate‐tunable Fermi level, van der Waals interaction with the WS2, and the high electrical conductivity of MLG significantly improve the overall performance of the devices. The carrier mobility of single‐layer WS2 increases about a tenfold (50 cm2 V−1 s−1 at room temperature) by replacing conventional Ti/Au metal electrodes (5 cm2 V−1 s−1) with the MLG electrodes. Further, by replacing the conventional SiO2 substrate with a thin (1 µm) parylene‐C flexible film as insulator, flexible WS2 photodetectors that are able to sustain multiple bending stress tests without significant performance degradation are realized. The flexible photodetectors exhibited extraordinarily high gate‐tunable photoresponsivities, reaching values of 4500 A W−1, and with very short (<2 ms) response time. The work of the heterostacked structure combining WS2, graphene, and the very thin polymer film will find applications in various flexible electronics, such as wearable high‐performance optoelectronics devices.
Calcium Phosphate–Collagen Scaffold with Aligned Pore Channels for Enhanced Osteochondral Regeneration
Authors: Seong Yun‐Jeong , Kang In‐Gu , Song Eun‐Ho , Kim Hyoun‐Ee , Jeong Seol‐Ha
Published: October 2017

This study reports the development of a bilayered scaffold with aligned channels produced via a sequential coextrusion and unidirectional freezing process to facilitate upward bone‐marrow stem‐cell migration. The biomimetic scaffold with collagen and biphasic calcium phosphate (BCP) layers is successfully fabricated with matching of the cartilage and bone layers. The aligned structure results in an enhancement of the compressive strength, and the channels enable tight anchoring of the collagen layers on the BCP scaffolds compared with a randomly structured porous scaffold. An in vitro evaluation demonstrates that the aligned channels guide the cells to attach on the surface in highly stretched shapes and migrate upward faster than the random structure. In addition, in vivo assessment reveals that the aligned channels yield superior osteochondral tissue regeneration compared with the random structure. Moreover, the channel diameter greatly affects the tissue regeneration, and the scaffold with a channel diameter of ≈270 µm exhibits the optimal regeneration because of sufficient nutrient supply and adequate tissue ingrowth. These findings indicate that the introduction of aligned channels to a bilayered scaffold provides an effective approach for osteochondral tissue regeneration.
Nanoscale Manipulation of Spinel Lithium Nickel Manganese Oxide Surface by Multisite Ti Occupation as High‐Performance Cathode
Authors: Xiao Biwei , Liu Hanshuo , Liu Jian , Sun Qian , Wang Biqiong , Kaliyappan Karthikeyan , Zhao Yang , Banis Mohammad Norouzi , Liu Yulong , Li Ruying , Sham Tsun‐Kong , Botton Gianluigi A. , Cai Mei , Sun Xueliang
Published: October 2017

A novel two‐step surface modification method that includes atomic layer deposition (ALD) of TiO2 followed by post‐annealing treatment on spinel LiNi0.5Mn1.5O4 (LNMO) cathode material is developed to optimize the performance. The performance improvement can be attributed to the formation of a TiMn2O4 (TMO)‐like spinel phase resulting from the reaction of TiO2 with the surface LNMO. The Ti incorporation into the tetrahedral sites helps to combat the impedance growth that stems from continuous irreversible structural transition. The TMO‐like spinel phase also alleviates the electrolyte decomposition during electrochemical cycling. 25 ALD cycles of TiO2 growth are found to be the optimized parameter toward capacity, Coulombic efficiency, stability, and rate capability enhancement. A detailed understanding of this surface modification mechanism has been demonstrated. This work provides a new insight into the atomic‐scale surface structural modification using ALD and post‐treatment, which is of great importance for the future design of cathode materials.
Recent Progress on Antimonene: A New Bidimensional Material
Authors: Ares Pablo , Palacios Juan José , Abellán Gonzalo , Gómez‐Herrero Julio , Zamora Félix
Published: October 2017

Antimonene, defined in sensu stricto as a single layer of antimony atoms, is recently the focus of numerous theoretical works predicting a variety of interesting properties and is quickly attracting the attention of the scientific community. However, what places antimonene in a different category from other 2D crystals is its strong spin–orbit coupling and a drastic evolution of its properties from the monolayer to the few‐layer system. The recent isolation of this novel 2D material pushes the interest for antimonene even further. Here, a review of both theoretical predictions and experimental results is compiled. First, an account of the calculations anticipating an electronic band structure suitable for optoelectronics and thermoelectric applications in monolayer form and a topological semimetal in few‐layer form is given. Second, the different approaches to produce antimonene—mechanical and liquid phase exfoliation, and epitaxial growth methods—are reviewed. In addition, this work also reports the main characterization techniques used to study this exotic material. This review provides insights for further exploring the appealing properties of antimonene and puts forward the opportunities and challenges for future applications from (opto)electronic device fabrication to biomedicine.
Efficient Photoelectrochemical O2 and CO Production Using BiVO4 Water Oxidation Photoanode and CO2 Reduction Au Nanoparticle Cathode Prepared by In Situ Deposition from Au3+ Containing Solution
Authors: Zahran Zaki N. , Mohamed Eman A. , Haleem Ashraf Abdel , Naruta Yoshinori
Published: October 2017

The cathodic polarization of various conducting electrodes in a CO2‐saturated DMF/5% H2O solution containing AuCl3 (DMF = N,N‐dimethylformamide) results in in situ deposition of a highly selective and efficient CO2 to CO conversion Au nanoparticle electrocatalyst. These electrodes include glassy carbon, fluorine doped tin oxide (FTO), and Au plate. The efficiency of the Au nanoparticles is enhanced by introducing 1‐ethyl‐3‐methylimidazolium trifluoromethanesulfonate ionic liquid (EMI OTf IL, 10%) to the AuCl3‐containing DMF/5% H2O deposition solution. In addition to the simplicity and novelty of the preparation method, the resultant in situ deposited Au nanoparticle cathode shows superior activity and selectivity for CO2 to CO conversion compared to Au nanoparticles prepared by other techniques. Moreover, the in situ deposited Au nanoparticle electrode is used as a cathode in an n‐type photoelectrochemical cell with a water oxidation BiVO4 photoanode modified with three‐layer water oxidation catalysts [FTO/EMI BiVO4/FeOOH/NiOOH/Co(bpy‐P)2, bpy‐P = 2,2′‐bipyridine‐4,4′‐diphosphonic acid] to achieve efficient solar‐assisted CO and O2 production with 0.78% solar to CO conversion efficiency. The resultant 0.78% efficiency is the highest efficiency obtained toward CO2 to CO conversion in PEC devices without any use of photovoltaic cell as a tandem.
Identifying the Cause of Rupture of Li‐Ion Batteries during Thermal Runaway
Authors: Finegan Donal P. , Darcy Eric , Keyser Matthew , Tjaden Bernhard , Heenan Thomas M. M. , Jervis Rhodri , Bailey Josh J. , Vo Nghia T. , Magdysyuk Oxana V. , Drakopoulos Michael , Di Michiel Marco , Rack Alexander , Hinds Gareth , Brett Dan J. L. , Shearing Paul R.
Published: October 2017

As the energy density of lithium‐ion cells and batteries increases, controlling the outcomes of thermal runaway becomes more challenging. If the high rate of gas generation during thermal runaway is not adequately vented, commercial cell designs can rupture and explode, presenting serious safety concerns. Here, ultra‐high‐speed synchrotron X‐ray imaging is used at >20 000 frames per second to characterize the venting processes of six different 18650 cell designs undergoing thermal runaway. For the first time, the mechanisms that lead to the most catastrophic type of cell failure, rupture, and explosion are identified and elucidated in detail. The practical application of the technique is highlighted by evaluating a novel 18650 cell design with a second vent at the base, which is shown to avoid the critical stages that lead to rupture. The insights yielded in this study shed new light on battery failure and are expected to guide the development of safer commercial cell designs.
Enhanced Proton Conductivity in Y‐Doped BaZrO3 via Strain Engineering
Authors: Fluri Aline , Marcolongo Aris , Roddatis Vladimir , Wokaun Alexander , Pergolesi Daniele , Marzari Nicola , Lippert Thomas
Published: October 2017

The effects of stress‐induced lattice distortions (strain) on the conductivity of Y‐doped BaZrO3, a high‐temperature proton conductor with key technological applications for sustainable electrochemical energy conversion, are studied. Highly ordered epitaxial thin films are grown in different strain states while monitoring the stress generation and evolution in situ. Enhanced proton conductivity due to lower activation energies is discovered under controlled conditions of tensile strain. In particular, a twofold increased conductivity is measured at 200 °C along a 0.7% tensile strained lattice. This is at variance with conclusions coming from force‐field simulations or the static calculations of diffusion barriers. Here, extensive first‐principles molecular dynamic simulations of proton diffusivity in the proton‐trapping regime are therefore performed and found to agree with the experiments. The simulations highlight that compressive strain confines protons in planes parallel to the substrate, while tensile strain boosts diffusivity in the perpendicular direction, with the net result that the overall conductivity is enhanced. It is indeed the presence of the dopant and the proton‐trapping effect that makes tensile strain favorable for proton conduction.
Genetic diversity in Svaneti and its implications for the human settlement of the Highland Caucasus
Authors: Yardumian Aram , Shengelia Ramaz , Chitanava David , Laliashvili Shorena , Bitadze Lia , Laliashvili Irma , Villanea Fernando , Sanders Akiva , Azzam Andrew , Groner Victoria , Edleson Kristi , Vilar Miguel G. , Schurr Theodore G.
Published: October 2017

Objectives

In this study, we characterized genetic diversity in the Svans from northwestern Georgia to better understand the phylogeography of their genetic lineages, determine whether genetic diversity in the highland South Caucasus has been shaped by language or geography, and assess whether Svan genetic diversity was structured by regional residence patterns.

Materials and Methods

We analyzed mtDNA and Y‐chromosome variation in 184 individuals from 13 village districts and townlets located throughout the region. For all individuals, we analyzed mtDNA diversity through control region sequencing, and, for males, we analyzed Y‐chromosome diversity through SNP and STR genotyping. The resulting data were compared with those for populations from the Caucasus and Middle East.

Results

We observed significant mtDNA heterogeneity in Svans, with haplogroups U1‐U7, H, K, and W6 being common there. By contrast, ∼78% of Svan males belonged to haplogroup G2a, with the remainder falling into four other haplogroups (J2a1, I2, N, and R1a). While showing a distinct genetic profile, Svans also clustered with Caucasus populations speaking languages from different families, suggesting a deep common ancestry for all of them. The mtDNA data were not structured by geography or linguistic affiliation, whereas the NRY data were influenced only by geography.

Discussion

These patterns of genetic variation confirm a complex set of geographic sources and settlement phases for the Caucasus highlands. Such patterns may also reflect social and cultural practices in the region. The high frequency and antiquity of Y‐chromosome haplogroup G2a in this region further points to its emergence there.
Behavioral implications of ontogenetic changes in intrinsic hand and foot proportions in olive baboons (Papio Anubis)
Authors: Druelle François , Young Jesse , Berillon Gilles
Published: October 2017

Objectives

Relatively long digits are considered to enhance grasping performance in primates. We tested whether growth‐related changes in intrinsic hand and foot proportions may have behavioral implications for growing animals, by examining whether ontogenetic changes in digital proportions are related to variation in voluntary grasping behaviors in baboons.

Materials and methods

Longitudinal morphological and behavioral data were collected on 6 captive olive baboons (Papio anubis) as they aged from 5 to 22 months. The length of digits and metapodials, measured from radiographs, were used to calculate phalangeal indices (i.e., PIs: summed length of non‐distal phalanges relative to corresponding metapodial length). We also examined the allometric scaling of digital bones relative to body mass. We observed baboon positional behaviors over a 15‐day period following the radiographic sessions, quantifying the frequency of forelimb and hindlimb grasping behaviors.

Results

PIs for all digits declined during growth, a result of the differential scaling of metapodials (which scaled to body mass with isometry) versus phalanges (which scaled with negative allometry). The incidence of forelimb and hindlimb grasping behaviors declined with age. Though we found no relationship between forelimb grasping and hand proportions, the incidence of hindlimb grasping was directly correlated with postaxial digit PIs.

Discussion

Only changes in the intrinsic proportions of the pedal digits are associated with variation in grasping activity in growing baboons. This finding accords previous biomechanical and neuroanatomical studies showing distinct functional roles for the hands and feet during primate locomotion, and has important implications for reconstructing primate locomotor evolution.
Isotopic assessment of marine food consumption by natural‐foraging chacma baboons on the Cape Peninsula, South Africa
Authors: Lewis Matthew C. , West Adam G. , O'Riain M. Justin
Published: October 2017

Objectives

Stable isotope analysis has been used to investigate consumption of marine resources in a variety of terrestrial mammals, including humans, but not yet in extant nonhuman primates. We sought to test the efficacy of stable isotope analysis as a tool for such studies by comparing isotope‐ and observation‐based estimates of marine food consumption by a troop of noncommensal, free‐ranging chacma baboons.

Materials and methods

We determined δ13C and δ15N values of baboon hair (n = 9) and fecal samples (n = 144), and principal food items (n = 362). These values were used as input for diet models, the outputs of which were compared to observation‐based estimates of marine food consumption.

Results

Fecal δ13C values ranged from −29.3‰ to −25.6‰. δ15N values ranged from 0.9‰ to 6.3‰ and were positively correlated with a measure of marine foraging during the dietary integration period. Mean (± SD) δ13C values of adult male and female baboon hairs were −21.6‰ (± 0.1) and −21.8‰ (± 0.3) respectively, and corresponding δ15N values were 5.0‰ (± 0.3) and 3.9‰ (± 0.2). Models indicated that marine contributions were ≤10% of baboon diet within any season, and contributed ≤17% of dietary protein through the year.

Discussion

Model output and observational data were in agreement, both indicating that despite their abundance in the intertidal region, marine foods comprised only a small proportion of baboon diet. This suggests that stable isotope analysis is a viable tool for investigating marine food consumption by natural‐foraging primates in temperate regions.
Growth curves and the international standard: How children's growth reflects challenging conditions in rural Timor‐Leste
Authors: Spencer Phoebe R. , Sanders Katherine A. , Judge Debra S.
Published: October 2017

Objectives

Population‐specific growth references are important in understanding local growth variation, especially in developing countries where child growth is poor and the need for effective health interventions is high. In this article, we use mixed longitudinal data to calculate the first growth curves for rural East Timorese children to identify where, during development, deviation from the international standards occurs.

Materials and methods

Over an eight‐year period, 1,245 children from two ecologically distinct rural areas of Timor‐Leste were measured a total of 4,904 times. We compared growth to the World Health Organization (WHO) standards using z‐scores, and modeled height and weight velocity using the SuperImposition by Translation And Rotation (SITAR) method. Using the Generalized Additive Model for Location, Scale and Shape (GAMLSS) method, we created the first growth curves for rural Timorese children for height, weight and body mass index (BMI).

Results

Relative to the WHO standards, children show early‐life growth faltering, and stunting throughout childhood and adolescence. The median height and weight for this population tracks below the WHO fifth centile. Males have poorer growth than females in both z‐BMI (p = .001) and z‐height‐for‐age (p = .018) and, unlike females, continue to grow into adulthood.

Discussion

This is the most comprehensive investigation to date of rural Timorese children's growth, and the growth curves created may potentially be used to identify future secular trends in growth as the country develops. We show significant deviation from the international standard that becomes most pronounced at adolescence, similar to the growth of other Asian populations. Males and females show different growth responses to challenging conditions in this population.
Synthetische Genomik: von der DNA‐Synthese zu Designer‐Genomen
Authors: Wang Lianrong , Jiang Susu , Chen Chao , He Wei , Wu Xiaolin , Wang Fei , Tong Tong , Zou Xuan , Li Zhiqiang , Luo Jie , Deng Zixin , Chen Shi
Published: October 2017

Rasante technische Fortschritte, die die Konstruktion von genetischen Netzwerken, Biosynthesepfaden und sogar ganzer Genome ermöglichen, konvertieren derzeit die Genetik und Genomik von rein deskriptiven zu synthetischen Wissenschaften. Anknüpfend an die Synthese kleiner viraler Genome haben Fortschritte bei der Assemblierung und Neusynthese von DNA die hierarchische Synthese bakterieller Genome, z. B. von Mycoplasma genitalium, sowie die Umkodierung des Genoms von Escherichia coli durch Reduzierung der Zahl an Codons von 64 auf 57 ermöglicht. Das Gebiet ist an dem Punkt angekommen, dass wir ein gesamtes eukaryotisches Genom synthetisieren können. Das “Synthetic Yeast Genome Project” (Sc2.0) folgt den Plan, bis 2018 alle 16 Saccharomyces cerevisiae‐Chromosomen neu zu synthetisieren; bisher wurden 6.5 Chromosomen konzipiert und synthetisiert. Bottom‐up‐Assemblierung und die Anwendung genomweiter Modifikationen werden unser Verständnis der Genomstruktur und ‐funktion verbessern. Dieser Ansatz wird nicht nur eine Plattform für die systemische Erforschung eukaryotischer Chromosomen bieten, sondern auch “verschlankte” Stämme hervorbringen, die für medizinische und industrielle Anwendungen potenziell geeignet sind. In diesem Kurzaufsatz fassen wir den aktuellen Stand der Forschung im Bereich synthetischer Genome zusammen und diskutieren mögliche Anwendungen dieser neuen Technologie.
G‐Quadruplex Secondary Structure Obtained from Circular Dichroism Spectroscopy
Authors: del Villar‐Guerra Rafael , Trent John O. , Chaires Jonathan B.
Published: October 2017

A curated library of circular dichroism spectra of 23 G‐quadruplexes of known structure was built and analyzed. The goal of this study was to use this reference library to develop an algorithm to derive quantitative estimates of the secondary structure content of quadruplexes from their experimental CD spectra. Principal component analysis and singular value decomposition were used to characterize the reference spectral library. CD spectra were successfully fit to obtain estimates of the amounts of base steps in anti–anti, syn–anti or anti–syn conformations, in diagonal or lateral loops, or in other conformations. The results show that CD spectra of nucleic acids can be analyzed to obtain quantitative structural information about secondary structure content in an analogous way to methods used to analyze protein CD spectra.
Synthetic Genomics: From DNA Synthesis to Genome Design
Authors: Wang Lianrong , Jiang Susu , Chen Chao , He Wei , Wu Xiaolin , Wang Fei , Tong Tong , Zou Xuan , Li Zhiqiang , Luo Jie , Deng Zixin , Chen Shi
Published: October 2017

Rapid technological advances enabling the construction of designer gene networks, biosynthetic pathways, and even entire genomes are moving the fields of genetics and genomics from descriptive to synthetic applications. Following the synthesis of small viral genomes, advances in DNA assembly and rewriting have enabled the hierarchical synthesis of bacterial genomes, such as Mycoplasma genitalium, as well as recoding of the Escherichia coli genome by reducing the number of codons from 64 to 57. The field has advanced to the point of synthesizing an entire eukaryotic genome. The Synthetic Yeast Genome Project (Sc2.0) is underway and aims to rewrite all 16 Saccharomyces cerevisiae chromosomes by 2018; to date, 6.5 chromosomes have been designed and synthesized. Using bottom‐up assembly and applying genome‐wide alterations will improve our understanding of genome structure and function. This approach will not only provide a platform for systematic studies of eukaryotic chromosomes but will also generate diverse “streamlined” strains that are potentially suitable for medical and industrial applications. Herein, we review the current state of synthetic genome research and discuss potential applications of this emerging technology.
Quantum Monte Carlo Simulations and High‐Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero‐Spin Ring
Authors: Qin Lei , Singleton Jared , Chen Wei‐Peng , Nojiri Hiroyuki , Engelhardt Larry , Winpenny Richard E. P. , Zheng Yan‐Zhen
Published: October 2017

Chromium lanthanide heterometallic wheel complexes {Cr8Ln8} (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange‐coupling constants with an average of 2.1 K within the {Cr8Gd8} wheel, which leads to a large ground spin state (ST=16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr8Dy8} wheel is a single‐molecule magnet.
PDMS/PVDF microporous membrane with semi‐interpenetrating polymer networks for vacuum membrane distillation
Authors: Qu Zhao‐Tong , Duan Shi‐Yuan , Li Bing‐Bing , Sun De , Gu Yun‐Lei
Published: October 2017

In this article, using the non‐solvent induced phase separation process, a new microporous membrane with the semi‐interpenetrating polymer network (semi‐IPN) structure was produced. For this membrane, polydimethylsiloxane (PDMS) polymer is crosslinking and poly(vinylidene fluoride) (PVDF) polymer is linear, by changing the mass ratio of PDMS/PVDF, the structure and the performance of the prepared membranes were studied. The membranes were also investigated by attenuated total reflection‐Fourier transform infrared (ATR‐FTIR), scanning electron microscopy–energy‐dispersive X‐ray spectroscopy, X‐ray diffraction, thermogravimetric analysis, and water contact angle, etc. ATR‐FTIR spectroscopy confirmed the formation of semi‐IPN; compared with the PDMS/PVDF polymer without semi‐IPNs structure, the viscosity of the semi‐IPNs structured casting solution increased, membrane mechanical property increased but its hydrophobicity decreased. Using the resulting membranes for the vacuum membrane distillation desalt of the NaCl solution (30 g/L), 99.9% salt rejection and reasonable flux were obtained. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45792.
Hierarchically controlled assemblies from amylose analog aminopolysaccharides by reductive amination: From nano‐ to macrostructures
Authors: Nakauchida Takuya , Yamamoto Kazuya , Kadokawa Jun‐ichi
Published: October 2017

In this study, we found that hierarchically controlled assemblies from amylose analog aminopolysaccharides occurred by reductive amination to obtain nanoparticles, microaggregates, and macrohydrogels depending on reaction conditions. The polysaccharide substrate composed of α(1→4)‐linked glucosamine residues was synthesized by thermostable phosphorylase (from Aquifex aeolicus VF5)–catalyzed enzymatic polymerization of α‐d‐glucosamine 1‐phosphate according to the reaction manner reported in our previous study. The reductive amination of the produced polysaccharide was carried out in the presence of NaBH3CN as reductant in 0.1 mol/L acetic acid aq. at 60 °C for 1 h. When lower feed ratios of reductant to the reducing end of the substrate were employed for the reaction, nanoparticles were obtained. With increasing feed ratios of reductant, more α(1→4)‐GlcNn molecules assembled to further form water‐insoluble microaggregates and macrohydrogels. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45890.
Biocompatible palm stearin‐based polyesteramide as polymer carrier for solid dispersion
Authors: Wong Wei Seng , Lee Choy Sin , Er Hui Meng , Lim Wen Huei , Wong Shew Fung
Published: October 2017

Palm stearin‐based polyesteramide (PSPEA) was synthesized by reacting PS with diethanolamine, followed by azelaic acid at functionality molar ratio (OH: COOH) ranged 1:0.84 to 1:0.95 at 150–190 °C. FTIR, 1H‐nuclear magnetic resonance, 13C‐nuclear magnetic resonance, and gel permeation chromatography were used to elucidate the chemical structure and Mw distribution of the PSPEA. PSPEA 4000 (acid value = 0.61 mg KOH/g sample, hydroxyl value = 51.97 mg KOH/g sample) was used in combination with stearic acid‐based PEA to prepare mefenamic acid (MA) solid dispersion. The solid dispersion demonstrated sixfold and twofold enhancement in T50% and cumulative drug release as compared to pure MA. The differential scanning calorimetry and scanning electron microscopy analyses revealed solubilization of MA in PEA and transformation of MA into amorphous. In vitro cytotoxicity studies confirmed the safety profile of PSPEA against 3T3 fibroblast cell lines. This work demonstrated that the biocompatible PSPEA possesses surface tension lowering and anticrystallization effects have the potential as polymer carrier for pharmaceutical dosage forms. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45892.
Pectin‐[(3‐acrylamidopropyl) trimethylammonium chloride‐co‐acrylic acid] hydrogel prepared by gamma radiation and selectively silver (Ag) metal adsorption
Authors: Bhuyan Md Murshed , Okabe Hirotaka , Hidaka Yoshiki , Hara Kazuhiro
Published: October 2017

Pectin‐[(3‐acrylamidopropyl) trimethylammonium chloride‐co‐acrylic acid] hydrogel has been prepared from the aqueous blend solution of pectin, (3‐acrylamidopropyl) trimethylammonium chloride (APTAC), and acrylic acid (AAc) by applying gamma radiation of different doses (1–25 kGy) from 60Co gamma source. The hydrogels were characterized by equilibrium swelling, Fourier transform infrared, differential scanning calorimetry, and scanning electron microscopy. The hydrogels were used in multielement adsorption and it was found that pectin‐(APTAC‐co‐AAc) gel is highly selective toward silver (I) ion among 27 metal ions. The data obtained from equilibrium adsorption studies were fitted in Langmuir and Freundlich adsorption isotherm models and model parameters evaluated. The maximum adsorption capacity of pectin‐(APTAC‐co‐AAc) gel was found to be 67.6413 mg/g of dry gel at sample volume of 25 mL. The kinetic data were tested using pseudo‐first order and pseudo‐second order kinetic models and different adsorption diffusion models such as film diffusion and intra‐particle diffusivity model. Thiourea solution was used for desorption of adsorbed metal ions from the hydrogel. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45906.
Application of paraffin and silver coated titania nanoparticles in polyethylene nanocomposite food packaging films
Authors: Hosseini Nasab Nafiseh , Jalili Mohammad Mehdi , Farrokhpay Saeed
Published: October 2017

In this work, 3% and 5% TiO2/Ag nanoparticles were dispersed in low‐density polyethylene through melt blending process, and subsequently nanocomposite films were prepared by hot pressing. Paraffin was used for the first time in this work as compatibilizer agent. The effect of TiO2/Ag nanoparticle content, as well as compatibilizer dosage on the antimicrobial, morphological, mechanical, and optical performance of the nanocomposite films was investigated. Improved mechanical properties of the nanocomposite films were found on using paraffin as compatibilizer in comparison with the neat low‐density polyethylene (LDPE) films. The optical study results also showed that the addition of TiO2/Ag to the LDPE films does not drastically change the film appearance other than making them more reddish. The fabricated nanocomposites presented in this study could be a suitable choice for food packaging (subject to further investigation of the food packaging behavior). The results showed that both TiO2/Ag nanoparticle and compatibilizer are needed to prevent the bacteria growth in the film. The best result was obtained by using 5% nanoparticle and 4% paraffin compatibilizer where the bacteria growth rate was significantly reduced by 95%. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45913.
Influence of carboxyl and amide groups on in vitro hemocompatibility of sulfonated polypropylene non‐woven fabric
Authors: Li Rong , Cai Xi‐Ming , Ye Yin , Wu Guo‐Zhong
Published: October 2017

The sulfonated polypropylene non‐woven fabric (PPNWF) was successfully fabricated via γ‐ray simultaneous radiation‐induced graft polymerization of acrylic acid (AA)/sodium styrenesulfonate (NaSS) and acrylamide (AAm)/NaSS. The existence of graft chains in both PP‐g‐P(AA‐co‐NaSS) and PP‐g‐P(AAm‐co‐NaSS) was proved by attenuated total reflection Fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy. Water contact angle measurement illustrated the sulfonated PPNWF owning good hydrophilicity. The in vitro hemocompatibility evaluation showed that both PP‐g‐P(AA‐co‐NaSS) and PP‐g‐P(AAm‐co‐NaSS) inhibited effectively the adhesion of platelets and were significantly compatible with erythrocytes. Moreover, no obvious difference was confirmed in the prevention of platelet adhesion and hemolysis ratio between carboxyl and amide groups. However, as compared with that of PP‐g‐P(AAm‐co‐NaSS), PP‐g‐P(AA‐co‐NaSS) exhibited outstanding anticoagulant activity via increased activated partial thromboplastin time and thrombin time. This result indicated that the carboxyl group but not amide group featured strong synergistic effect on the anticoagulant activity of sulfonated PPNWF. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45915.
2017 European League Against Rheumatism/American College of Rheumatology Classification Criteria for Adult and Juvenile Idiopathic Inflammatory Myopathies and Their Major Subgroups
Authors: Lundberg Ingrid E. , Tjärnlund Anna , Bottai Matteo , Werth Victoria P. , Pilkington Clarissa , de Visser Marianne , Alfredsson Lars , Amato Anthony A. , Barohn Richard J. , Liang Matthew H. , Singh Jasvinder A. , Aggarwal Rohit , Arnardottir Snjolaug , Chinoy Hector , Cooper Robert G. , Dankó Katalin , Dimachkie Mazen M. , Feldman Brian M. , Garcia‐De La Torre Ignacio , Gordon Patrick , Hayashi Taichi , Katz James D. , Kohsaka Hitoshi , Lachenbruch Peter A. , Lang Bianca A. , Li Yuhui , Oddis Chester V. , Olesinska Marzena , Reed Ann M. , Rutkowska‐Sak Lidia , Sanner Helga , Selva‐O'Callaghan Albert , Song Yeong‐Wook , Vencovsky Jiri , Ytterberg Steven R. , Miller Frederick W. , Rider Lisa G. ,   the International Myositis Classification Criteria Project Consortium, the Euromyositis Register, and the Juvenile Dermatomyositis Cohort Biomarker Study and Repository (UK and Ireland)
Published: October 2017

Objective

To develop and validate new classification criteria for adult and juvenile idiopathic inflammatory myopathies (IIM) and their major subgroups.

Methods

Candidate variables were assembled from published criteria and expert opinion using consensus methodology. Data were collected from 47 rheumatology, dermatology, neurology, and pediatric clinics worldwide. Several statistical methods were utilized to derive the classification criteria.

Results

Based on data from 976 IIM patients (74% adults; 26% children) and 624 non‐IIM patients with mimicking conditions (82% adults; 18% children), new criteria were derived. Each item is assigned a weighted score. The total score corresponds to a probability of having IIM. Subclassification is performed using a classification tree. A probability cutoff of 55%, corresponding to a score of 5.5 (6.7 with muscle biopsy) “probable IIM,” had best sensitivity/specificity (87%/82% without biopsies, 93%/88% with biopsies) and is recommended as a minimum to classify a patient as having IIM. A probability of ≥90%, corresponding to a score of ≥7.5 (≥8.7 with muscle biopsy), corresponds to “definite IIM.” A probability of <50%, corresponding to a score of <5.3 (<6.5 with muscle biopsy), rules out IIM, leaving a probability of ≥50–<55% as “possible IIM.”

Conclusion

The European League Against Rheumatism/American College of Rheumatology (EULAR/ACR) classification criteria for IIM have been endorsed by international rheumatology, dermatology, neurology, and pediatric groups. They employ easily accessible and operationally defined elements, and have been partially validated. They allow classification of “definite,” “probable,” and “possible” IIM, in addition to the major subgroups of IIM, including juvenile IIM. They generally perform better than existing criteria.
Estimation and status prediction in a discrete mover‐stayer model with covariate effects on stayer's probability
Authors: Frydman Halina , Matuszyk Anna
Published: October 2017

A discrete‐time mover‐stayer (MS) model is an extension of a discrete‐time Markov chain, which assumes a simple form of population heterogeneity. The individuals in the population are either stayers, who never leave their initial states or movers who move according to a Markov chain. We, in turn, propose an extension of the MS model by specifying the stayer's probability as a logistic function of an individual's covariates. Such extension has been recently discussed for a continuous time MS but has not been considered before for a discrete time one. This extension allows for an in‐sample classification of subjects who never left their initial states into stayers or movers. The parameters of an extended MS model are estimated using the expectation‐maximization algorithm. A novel bootstrap procedure is proposed for out of sample validation of the in‐sample classification. The bootstrap procedure is also applied to validate the in‐sample classification with respect to a more general dichotomy than the MS one. The developed methods are illustrated with the data set on installment loans. But they can be applied more broadly in credit risk area, where prediction of creditworthiness of a loan borrower or lessee is of major interest.
BW Vul: First results from magnetic field measurements in helium and hydrogen lines
Authors: Butkovskaya V. V. , Plachinda S. I. , Pankov N. F.
Published: October 2017

We report preliminary results of our study of the magnetic field on the extreme β Cephei‐type star BW Vul measured in helium and hydrogen spectral lines. We propose that the magnetic field on BW Vul varies in a complex manner during the known 0.2‐day radial pulsation period.
Estimating multiple time‐fixed treatment effects using a semi‐Bayes semiparametric marginal structural Cox proportional hazards regression model
Authors: Cole Stephen R. , Edwards Jessie K. , Westreich Daniel , Lesko Catherine R. , Lau Bryan , Mugavero Michael J. , Mathews W. Christopher , Eron Joseph J. , Greenland Sander ,   for the CNICS Investigators
Published: October 2017

Marginal structural models for time‐fixed treatments fit using inverse‐probability weighted estimating equations are increasingly popular. Nonetheless, the resulting effect estimates are subject to finite‐sample bias when data are sparse, as is typical for large‐sample procedures. Here we propose a semi‐Bayes estimation approach which penalizes or shrinks the estimated model parameters to improve finite‐sample performance. This approach uses simple symmetric data‐augmentation priors. Limited simulation experiments indicate that the proposed approach reduces finite‐sample bias and improves confidence‐interval coverage when the true values lie within the central “hill” of the prior distribution. We illustrate the approach with data from a nonexperimental study of HIV treatments.
The polypeptide biophysics of proline/alanine‐rich sequences (PAS): Recombinant biopolymers with PEG‐like properties
Authors: Breibeck Joscha , Skerra Arne
Published: October 2017

PAS polypeptides comprise long repetitive sequences of the small L‐amino acids proline, alanine and/or serine that were developed to expand the hydrodynamic volume of conjugated pharmaceuticals and prolong their plasma half‐life by retarding kidney filtration. Here, we have characterized the polymer properties both of the free polypeptides and in fusion with the biopharmaceutical IL‐1Ra. Data from size exclusion chromatography, dynamic light scattering, circular dichroism spectroscopy and quantification of hydrodynamic and polar properties demonstrate that the biosynthetic PAS polypeptides exhibit random coil behavior in aqueous solution astonishingly similar to the chemical polymer poly‐ethylene glycol (PEG). The solvent‐exposed PAS peptide groups, in the absence of secondary structure, account for strong hydrophilicity, with negligible contribution by the Ser side chains. Notably, PAS polypeptides exceed PEG of comparable molecular mass in hydrophilicity and hydrodynamic volume while exhibiting lower viscosity. Their uniform monodisperse composition as genetically encoded polymers and their biological nature, offering biodegradability, render PAS polypeptides a promising PEG mimetic for biopharmaceutical applications.
Probing the dynamics of restriction endonuclease NgoMIV‐DNA interaction by single‐molecule FRET
Authors: Tutkus Marijonas , Sasnauskas Giedrius , Rutkauskas Danielis
Published: October 2017

Many type II restriction endonucleases require two copies of their recognition sequence for optimal activity. Concomitant binding of two DNA sites by such an enzyme produces a DNA loop. Here we exploit single‐molecule Förster resonance energy transfer (smFRET) of surface‐immobilized DNA fragments to study the dynamics of DNA looping induced by tetrameric endonuclease NgoMIV. We have employed a DNA fragment with two NgoMIV recognition sites and a FRET dye pair such that upon protein‐induced DNA looping the dyes are brought to close proximity resulting in a FRET signal. The dynamics of DNA‐NgoMIV interactions proved to be heterogeneous, with individual smFRET trajectories exhibiting broadly different average looped state durations. Distinct types of the dynamics were attributed to different types of DNA‐protein complexes, mediated either by one NgoMIV tetramer simultaneously bound to two specific sites (“slow” trajectories) or by semi‐specific interactions of two DNA‐bound NgoMIV tetramers (“fast” trajectories), as well as to conformational heterogeneity of individual NgoMIV molecules.