bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multiple dimensional space for
protein interface residue characterization
Authors: Cao Tingyi , Yang Yongxiao , Gong Xinqi 
Published: December 2016

Abstract
Proteins interact to perform biological functions through specific interface residues. Correctly
understanding the mechanisms of interface recognition and prediction are important for many aspects of
life science studies. Here, we report a novel architecture to study protein interface residues. In our method,
multiple dimensional space was built on some meaningful features. Then we divided the space and put all
the surface residues into the regions according to their features’ values. Interestingly, interface residues were
found to prefer some grids clustered together. We obtained excellent result on a public and verified data
benchmark. Our approach not only opens up a new train of thought for interface residue prediction, but also
will help to understand proteins interaction more deeply.
A new method for quantifying the nanoscale magnetic domains
Authors: Li Zhenghua , Hong Yi , Zhang Jing , Li Xiang 
Published: December 2016

Abstract
In this work, a signal transformation method to quantitatively analyze fine magnetic structures in nanometer length scales measured by magnetic force microscopy has been developed. Nanosized magnetic domains, magnetic charges with reconstructed polarity as well as quantified magnetic field contours of samples (such as ordered FePt dot arrays, hard magnetic thin films and polycrystalline La0.7Sr0.3 MnO3 (LSMO) films ) were investigated based on the basic principles of deconvolution and micromagnetics. The present technique is crucial for the analysis of fine magnetic structures, and is important for the development of next generation magnetic recording industry.
Aminochelate fertilizers: the new approach to the
old problem; a review
Authors: Souri Mohammad Kazem 
Published: December 2016

Abstract
Aminochelate fertilizers are the latest novel-
ties regarding plant nutrition in agricultural production
systems. They are part of the modern formulae of fertiliz-
ers which are synthesized based on various amino acids,
mainly glycine. In recent years, they have had a rapid
growth in the marketplace. Their rapid growth in formula-
tions, manufacturing, diversity and application is mainly
due to the novel understandings regarding diverse roles
of amino acids in plant metabolism. Compared to routine
fertilizers or other commercially synthetic chelators such
as EDTA; however, aminochelates represent a safer and
more efficient form of fertilizer, resulting in better plant
performance and less environmental risks. Aminochelates
represent effective fertilizers for both soil and particularly
for foliar applications. Despite, aminochelates having
quickly dominated the fertilizer markets in many coun-
tries, there is not enough scientific data and information
regarding detailed responses of crops to these types of fer-
tilizers. This in part, may be due to their mixed composi-
tion of several nutrient elements, giving various nutrients
effects, meaning that conducting scientific experiments
and concluding remarks, , would be very difficult. This
review provides information concerning different aspect
of aminochelate fertilizers including their history, struc-
ture, types, value and effects on agricultural crops.
From LBK to SBK: Pottery, Bones, Lithics and Houses at the Neolithic site of Hrdlovka, Czech Republic
Authors: Vondrovský Václav , Beneš Jaromír , Divišová Michaela , Kovačiková Lenka , Šída Petr 
Published: December 2016

AbstractThe paper is focused on the period of cultural change at the turn of 6th and 5th millennia BC, when
the uniform Linear Pottery Culture (LBK) occupying an extensive area disintegrated in several local groups
or cultures, including the Stroked Pottery Culture (SBK) emerging in the regions of Bohemia and Saxony. The
data comprising pottery, animal bones, lithics, as well as architectural attributes from Hrdlovka site, situated
in northwest Bohemia, are presented. In accordance with the sites of Hrbovice-Chabařovice and Dresden-
Prohlis a rather uninterrupted LBK/SBK transition has been observed, which contrasts with the image of
“LBK crisis” observed in other regions. Lithics production and distribution networks of raw material seem
to be stable. The change in stockkeeping strategies correlating with the transitional period are considered
rather as modification of local environmental conditions. On the level of households, a similar architectural
development has been documented at the Hrdlovka and Dresden-Prohlis sites. The processes of LBK/SBK
transition in terms of cultural change are also discussed.
Selective infiltration and storage of picoliter volumes of liquids into sealed SU-8 microwells
Authors: Prokop Christoph , Schmalz Tobias , Karnutsch Christian 
Published: December 2016

AbstractThis paper describes the selective infiltration and storage of picoliter volumes of water and IPA in arrays of sealed SU-8 microwells. Microwells, with a volume of approximately 300 picoliters, are fabricated employing photolithography and a polymer onto polymer lamination method to seal the structures with a thin cover of SU-8 and PDMS in order to suppress the evaporation of the infiltrated liquids. A glass capillary is used to punch through the SU-8/PDMS cover and to infiltrate the liquid of interest into the microwells. The influence of the mixing ratio of the PDMS and its curing agent is studied and the results show that a lower ratio of 2:1 suppresses the evaporation more when compared to the standard mixing ratio of 10:1. In regards to water and IPA, the dwell time in the reservoirs was increased by approximately 50 % and 450 % respectively. Depending on the physical properties of the microwells and the liquids, the SU-8/PDMS cover suppresses the evaporation up to 32 mins for water and 463 mins for IPA, respectively, until the microwell is completely empty again. Additionally, multiple infiltrations of the same microwell are demonstrated using two immiscible liquids IPA and paraffin oil. Based on the popular polymers SU-8 and PDMS, the sealed microwell structures are scalable and combinable with different glass capillaries according to the needs of future analytical research and medical diagnostics.
Laser-induced jetting and controlled droplet formation
Authors: Pascu Mihail Lucian , Andrei Ionut Relu , Delville Jean-Pierre 
Published: December 2016

AbstractThe article reports, in the general context of developing techniques to generate microjets, nanojets and even individual nanodroplets, a new method to obtain such formations by interaction of a single laser pulse at 532 nm with an individual/single mother droplet in pendant position in open air. The beam energy per pulse is varied between 0.25 and 1 mJ, the focus diameter is 90 μm, and the droplet’s volumes are either 3 μl or 3.5 μl. Droplet’s shape evolution and jet emission at impact with laser pulse was visualised with a high speed camera working at 10 kfps. Reproducible jets and/or separated microdroplets and nanodroplets are obtained which shows potential for applications in particular in jet printing. It is demonstrated that it becomes possible to play with the geometrical symmetry of both laser excitation and liquid in order to manage the number and the orientation of an induced microjet and consequently to actuate the orientation and the production of nanodroplets by light.
Responsible Research and Innovation in secondary school science classrooms: experiences from the project Irresistible
Authors: Apotheker Jan , Blonder Ron , Akaygun Sevil , Reis Pedro , Kampschulte Lorenz , Laherto Antti 
Published: December 2016

Abstract

Responsible Research and Innovation has become a core concept in many of the Horizon 2020 programs. In this article the concept of RRI is discussed in context of secondary education, and the interpretation used within the project ‘Irresistible’ is introduced. In the article several ways in which RRI can be incorporated in science classrooms are discussed, connected to the teaching of contemporary research taking place in universities as well as recent innovations coming from industry. The presented modules are designed in groups in which teachers work together with researchers, science educators and science center experts. As one of the educational approaches used in the modules, students created exhibits in which both the scientific content as well as the RRI concepts related to the content are demonstrated for the general public. These exhibits have been very successful as a learning tool.
Removal of triazine-based herbicides on specific polymeric sorbent: batch studies
Authors: Ronka Sylwia 
Published: December 2016

Abstract
The triazine-based herbicides removal from aqueous solution on specific polymeric adsorbent was studied. Poly(divinylbenzene) modified with maleic anhydride in Diels-Alder reaction was selected for the sorption experiments because molecular structures of triazine derived herbicides exhibit complementarity to the arrangement of functional groups in the polymer. The presence of carboxyl groups in adsorbent structure resulted in specific directional interactions, such as hydrogen bonds, which can intensify adsorption ability towards triazines. In the case of both atrazine and terbuthylazine the effect is more intensive, whereas in sorption of simazine and propazine the non-specific interactions have higher importance than hydrogen bonds. Specific interactions in investigated systems are between the hydrogen atom of the amino group of triazine and the carbonyl oxygen atom of the carboxyl group of the modified poly(divinylbenzene) (O…H–N). Only in the case of terbuthylazine the creation of hydrogen bonds between hydroxyl hydrogen atom of carboxylic group and nitrogen atom containing free electron pair from triazine (O–H…N) was observed. The sorption of simazine, atrazine and propazine does not depend on pH in the acidic region, whereas in the case of terbuthylazine an increase in sorption efficiency is observed while pH decreases.
Preparation and characterization of polyethylene glycol/poly(L-lactic acid) blends
Authors: Athanasoulia Ioanna-Georgia , Tarantili Petroula A. 
Published: December 2016

Abstract
The effect of incorporation of poly(ethylene glycol) (PEG) on thermomechanical and hydrophilicity properties of poly(L-lactic acid) (PLLA) was investigated. PEG/PLLA blends, containing 10, 20, 30 and 40 wt% PEG, were prepared by melt-extrusion in a co-rotating twin-screw extruder. By DSC analysis, it was observed that the Tg of PLLA phase in PEG/PLLA blends decreased accompanied by a significant decrease in Tcc and increase in their melting enthalpy. Therefore, the addition of PEG enhances the crystallization ability of PLLA phase due to its lubricating effect which increased mobility of PLLA chains. From TGA it was observed that low concentrations of PEG (10 & 20 wt%) increase the Tonset of thermal degradation, probably due to improved heat resistance of the crystalline phase. At higher PEG content, the Tonset decreases, as the lubricating effect becomes the controlling mechanism for the initiation of degradation process. Decrease in tensile strength and modulus was recorded especially in PLLA blends with PEG content higher than 20 wt%. The elongation at break decreases reaching a maximum at 20 wt% PEG and then dropped again. To investigate the effect of PEG on the wetting ability of PLLA, water contact angle measurements were performed. The results indicate that the introduction of PEG lowers the contact angle values in PEG/PLLA film surfaces, as compared to pure PLLA, suggesting improved hydrophilic properties.
Synthesis and characterization of vinyl derivatives of naphthalene-2,7-diol as a photoluminescent dopant useful in optical materials
Authors: Gil Małgorzata , Podkościelna Beata , Gawdzik Barbara , Bartnicki Andrzej , Podkościelny Wiesław , Demirci Gokhan 
Published: December 2016

Abstract
In this study synthesis and characterization of the new methacrylic derivatives of naphthalene-2,7-diol are presented. This reaction was performed in the three stages. In first stage 2,7-NAF was reacted with dimethyl sulfate in the NaOH solutions at 0°C. Next, the obtained 2,7-NAF.Me was modified by epichlorohydrine leading to epoxide compound (2,7-NAF.Me.EP). Finally, the reaction of opening oxirane rings by methacrylic acid was carried out. The chemical structures of all derivatives were confirmed by 1H and 13C NMR. Next, copolymerization reaction with methyl methacrylate (MMA), styrene (St) or divinylbenzene (DVB) was carried out. New monomer (2,7-NAF.MePM) possesses only one double bond and it can be used as a dopant in optical materials technology. The studies of their thermal properties were investigated by means TG/DTG/QMS coupled method. The influence of photoluminescence dopant on thermal stability of the obtained copolymers was also discussed.
Leiomyosarcoma of the renal vein: analysis of outcome and prognostic factors in the world case series of 67 patients
Authors: Novak Marko , Perhavec Andraz , Maturen Katherine E. , Pavlovic Djokic Snezana , Jereb Simona , Erzen Darja 
Published: December 2016

Abstract

Background
Leiomyosarcoma is a rare malignant mesenchymal tumour. Some cases of leiomyosarcoma of the renal vein (LRV) have been reported in the literature, but no analysis of data and search for prognostic factors have been done so far. The aim of this review was to describe the LRV, to analyse overall survival (OS), local recurrence free survival (LRFS) and distant metastases free survival (DMFS) in LRV world case series and to identify significant predictors of OS, LRFS and DMFS.

Methods
Cases from the literature based on PubMed search and a case from our institution were included.

Results
Sixty-seven patients with a mean age of 56.6 years were identified; 76.1% were women. Mean tumour size was 8.9 cm; in 68.7% located on the left side. Tumour thrombus extended into the inferior vena cava lumen in 13.4%. All patients but one underwent surgery (98.5%). After a median follow up of 24 months, the OS was 79.5%. LRFS was 83.5% after a median follow up of 21.5 months and DMFS was 76.1% after a median follow up of 22 months. Factors predictive of OS in univariate analysis were surgical margins, while factors predictive of LRFS were inferior vena cava luminal extension and grade. No factors predictive of DMFS were identified. In multivariate analysis none of the factors were predictive of OS, LRFS and DMFS.

Conclusions
Based on the literature review and presented case some conclusions can be made. LRV is usually located in the hilum of the kidney. It should be considered in differential diagnosis of renal and retroperitoneal masses, particularly in women over the age 40, on the left side and in the absence of haematuria. Core needle biopsy should be performed. Patients should be managed by sarcoma multidisciplinary team. LRV should be surgically removed, with negative margins.
Monte Carlo algorithms for calculation of diffusive characteristics of an electron avalanche in gases
Authors: Lotova Galiya Z. 
Published: December 2016

Abstract
Some problems of the theory of electron transfer in gases under the action of a strong external electric field is considered in the paper. Based on the three-dimensional ELSHOW algorithm, samples of states of particles in an electron avalanche are obtained for a given time moment in order to calculate the corresponding ‘diffusion radii’ and diffusion coefficients. Randomized projection estimators and kernel estimators (for test purpose) are constructed with the use of grouped samples for evaluation of the distribution density of particles in an avalanche. Test computations demonstrate a high efficiency of projection estimators for calculation of diffusive characteristics.
The method of similar trajectories with branching according to parametric maximum of the auxiliary weight
Authors: Medvedev Ilia N. 
Published: December 2016

Abstract
The weighted method of similar trajectories (MST) allows one to construct estimators of functionals on a single Markov chain simultaneously for a given range of parameters of the problem. Choosing an appropriate Markov chain, we take into account additional conditions providing the finiteness of MST variance. A modification of the weighted MST with branching of chain trajectory is constructed in the paper according to the parametric maximum of the auxiliary weight. It is proved that the computational cost of this algorithm is bounded if the basis functionals are also bounded. Numerical study of the efficiency of the modified MST in comparison with analog modelling was carried out on the example of the standard problem of transfer theory on estimation of the probability of albedo and transmission of a particle.
Individualisierungstendenzen im Sport von Heranwachsenden – revisited
Authors: Burrmann Ulrike , Seyda Miriam , Heim Rüdiger , Konowalczyk Svenja 
Published: December 2016

Zusammenfassung
Im Jahr 2003 gingen Jürgen Baur und Ulrike Burrmann der Frage nach, inwieweit sich Sportengagements von Jugendlichen individualisiert haben. Die meisten Annahmen mussten verworfen werden. Vor dem Hintergrund aktueller gesellschaftlicher Entwicklungen wird im vorliegenden Beitrag anhand von Zeitreihendaten dieser Frage erneut nachgegangen. Hinterfragt wird aber auch, ob sich der Einfluss vertikaler sozialstruktureller Merkmale auf die Beteiligung am (Vereins-)Sport seit den 1970er Jahren abgeschwächt hat und ob dieser Zusammenhang in den letzten Jahren wieder enger geworden ist. Die Befunde werden diskutiert, wobei zum einen auf methodische Probleme der Datenbasis und zum anderen auf Unschärfen der Individualisierungsthese eingegangen wird.
Free and Forced Vibrations of the Strongly Nonlinear Cubic-Quintic Duffing Oscillators
Authors: Karahan M.M. Fatih , Pakdemirli Mehmet 
Published: December 2016

Abstract
Strongly nonlinear cubic-quintic Duffing oscillatoris considered. Approximate solutions are derived using the multiple scales Lindstedt Poincare method (MSLP), a relatively new method developed for strongly nonlinear oscillators. The free undamped oscillator is considered first. Approximate analytical solutions of the MSLP are contrasted with the classical multiple scales (MS) method and numerical simulations. It is found that contrary to the classical MS method, the MSLP can provide acceptable solutions for the case of strong nonlinearities. Next, the forced and damped case is treated. Frequency response curves of both the MS and MSLP methods are obtained and contrasted with the numerical solutions. The MSLP method and numerical simulations are in good agreement while there are discrepancies between the MS and numerical solutions.
Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells
Authors: Adnan Muhammad , Iqbal Javed , BiBi Shamsa , Hussain Riaz , Akhtar Muhammad Nadeem , Rashid Muhammad Abid , Eliasson Bertil , Ayub Khurshid 
Published: December 2016

Abstract
Geometrical parameters, electronic structures and photophysical properties of three new triphenylamine (TPA) and diphenylamine (DPA) based electron donor materials M1 M3 (for organic solar cells) have been investigated through density functional theory (DFT) methods at the B3LYP/6-31G(d) level of the theory. TPA and DPA are used as donor moieties due to their electron donating ability while benzothiazole, cyanide and cyanomethylacetate (CMA) moieties have been taken as acceptor moieties. The time dependent-DFT (TD-DFT) method has been employed [TD-B3LYP/6-31G (d)] for the computation of excited state properties in the gas phase and in solvent (chloroform). The polarization continuum model is applied for calculations in the solvent phase. The designed molecules exhibited broad absorption in the visible and near infra-red region of spectrum with respect to a reference molecule “R” of a similar class of compounds. Based on reorganization energies calculations, these materials could act as excellent hole transport materials.
Digitalisierung und Arbeitsmarkt: Aktuelle Entwicklungen und sozialpolitische Herausforderungen
Authors: Eichhorst Werner , Hinte Holger , Rinne Ulf , Tobsch Verena 
Published: December 2016

Abstract
This article focuses on the progressive digitisation of work and its consequences for employment and social protection. The first section discusses potential dimensions of change due to technological innovation while the second part provides a preliminary assessment of the evidence that is currently available as regards occupational change and labour market polarization both with respect to total employment and the role of non-standard types of employment by occupations. Furthermore, the articles summarises what we currently know about the scope of work organized via online platforms. The subsequent section discusses potential consequences for social protection in the digital age. Particular attention is given to the eventual growth of selfemployment or freelance work using platforms as intermediaries. To the extent that work is organised more and more outside dependent employment, making the coverage of social insurance more universal, irrespective of the formal type of employment, is likely to become a crucial issue.
Die soziale Absicherung von Crowdworkern / Eine Untersuchung des Absicherungsstatus und -verhaltens von internetbasierten, selbständigen Erwerbstätigen
Authors: Meike Pürling 
Published: December 2016

Abstract
This study is the first to examine the social security situation of crowdworkers in Germany as well as the factors influencing the individual protection-behavior. The results are based on a quantitative survey of 248 crowdworkers in Germany. In addition, ten crowdworkers are interviewed, regarding their individual living and working conditions as well as health insurance and pension schemes. While the results for health care coverage are ambivalent, those concerning workers’ pension schemes are clear: Half of the interviewed crowdworkers are not able to build financial reserves or pension claims due to scarce financial resources and partly due to a lack of awareness for this long-term challenge.
Replication fork passage drives asymmetric dynamics of a critical nucleoid‐associated protein in Caulobacter
Authors: Arias‐Cartin Rodrigo , Dobihal Genevieve S , Campos Manuel , Surovtsev Ivan V , Parry Bradley , Jacobs‐Wagner Christine 
Published: December 2016

AbstractIn bacteria, chromosome dynamics and gene expression are modulated by nucleoid‐associated proteins (NAPs), but little is known about how NAP activity is coupled to cell cycle progression. Using genomic techniques, quantitative cell imaging, and mathematical modeling, our study in Caulobacter crescentus identifies a novel NAP (GapR) whose activity over the cell cycle is shaped by DNA replication. GapR activity is critical for cellular function, as loss of GapR causes severe, pleiotropic defects in growth, cell division, DNA replication, and chromosome segregation. GapR also affects global gene expression with a chromosomal bias from origin to terminus, which is associated with a similar general bias in GapR binding activity along the chromosome. Strikingly, this asymmetric localization cannot be explained by the distribution of GapR binding sites on the chromosome. Instead, we present a mechanistic model in which the spatiotemporal dynamics of GapR are primarily driven by the progression of the replication forks. This model represents a simple mechanism of cell cycle regulation, in which DNA‐binding activity is intimately linked to the action of DNA replication.