bluuebunny/crossref_metadata_2025_split huggingface dataset:
HERMESv3, a stand-alone multi-scale atmospheric emission modelling framework – Part 2: The bottom–up module
Authors: Guevara Marc , Tena Carles , Porquet Manuel , Jorba Oriol , Pérez García-Pando Carlos 
Published: March 2020

Abstract. We describe the bottom–up module of the High-Elective
Resolution Modelling Emission System version 3 (HERMESv3), a Python-based
and multi-scale modelling tool intended for the processing and computation of
atmospheric emissions for air quality modelling. HERMESv3 is composed of two
separate modules: the global_regional module and the bottom_up module. In a companion paper (Part 1,
Guevara et al., 2019a) we presented the global_regional module. The bottom_up module described in
this contribution is an emission model that estimates anthropogenic
emissions at high spatial- (e.g. road link level,) and temporal- (hourly)
resolution using state-of-the-art calculation methods that combine local
activity and emission factors along with meteorological data. The model
computes bottom–up emissions from point sources, road transport, residential
and commercial combustion, other mobile sources, and agricultural activities.
The computed pollutants include the main criteria pollutants (i.e. NOx, CO,
NMVOCs (non-methane volatile organic compounds), SOx, NH3, PM10 and PM2.5) and greenhouse gases
(i.e. CO2 and CH4, only related to combustion processes). Specific
emission estimation methodologies are provided for each source and are
mostly based on (but not limited to) the calculation methodologies reported
by the European EMEP/EEA air pollutant emission inventory guidebook.
Meteorologically dependent functions are also included to take into account
the dynamical component of the emission processes. The model also provides
several functionalities for automatically manipulating and performing
spatial operations on georeferenced objects (shapefiles and raster files).
The model is designed so that it can be applicable to any European
country or region where the required input data are available. As in the case of
the global_regional module, emissions can be estimated on several user-defined grids,
mapped to multiple chemical mechanisms and adapted to the input requirements
of different atmospheric chemistry models (CMAQ, WRF-Chem and MONARCH) as
well as a street-level dispersion model (R-LINE). Specific emission outputs
generated by the model are presented and discussed to illustrate its
capabilities.
Estimation of the octanol-water distribution coefficient of basic compounds by a cationic microemulsion electrokinetic chromatography system
Authors: Fernández-Pumarega Alejandro , Martín-Sanz Belén , Amézqueta Susana , Fuguet Elisabet , Rosés Martí 
Published: March 2020

The octanol-water partition coefficient (Po/w), or the octanol-water distribution coefficient (Do/w) for ionized compounds, is a key parameter in the drug development process. In a previous work, this parameter was estimated through the retention factor measurements in a sodium dodecyl sulfate (SDS) - microemulsion electrokinetic chromatography (MEEKC) system for acidic compounds. Nonetheless, when ionized basic compounds were analyzed, undesirable ion pairs were formed with the anionic surfactant and avoided a good estimation of log Do/w. For this reason, an alternative MEEKC system based on a cationic surfactant has been evaluated to estimate Po/w or Do/w of neutral compounds and ionized bases. To this end, it has been characterized through the solvation parameter model (SPM) and compared to the octanol-water partition system. Results pointed out that both systems show a similar partition behavior. Hence, the log Po/w of a set of neutral compounds has been successfully correlated against the logarithm of the retention factor (log k) determined in this MEEKC system. Then, the log Do/w of 6 model bases have been estimated at different pH values and they have been compared to data from the literature, determined by the reference shake-flask and potentiometric methods. Good agreement has been observed between the literature and the estimated values when the base is neutral or partially ionized (up to 99 % of ionization).
Projeto de extensão prática corporal em dança flamenca
Authors: Vieira Stéphane Soares , Donoso Verônica Garcia 
Published: March 2020

The extension project “Bodily practices in flamenco dance: the relational space of a sensible body” brings the community of Cachoeira do Sul, RS, bases of body awareness, movement, expression and interpretation through the learning and knowledge of flamenco culture and dance. Flamenco has been recognized by UNESCO since 2010 as an Intangible Cultural Heritage of Humanity, being an artistic expression resulting from the composition of the song, musical touch and body movement, being only possible through the understanding of the art as a set of these elements. This composition has as its main objective to narrate a story (present in the song) and to express the feelings that such story brings (for example, sadness, happiness, regret). The project has the participation of the academic community and the general community of Cachoeira do Sul alike, developing expression and body awareness, fighting against sedentary, bringing quality of life to participants, improving posture and self-esteem, proposing challenges and teamwork. The project’s target audience ranges from young people to adults of all genders, proposing interaction and learning between different audiences. Art belongs from everyone to everyone, and the spread of different cultures makes a very positive contribution to the citizen formation.
Analysis of ukrainian and foreign wheat samples for the presence of stem rust resistance genes using molecular markers
Authors: Ivashchuk B. V. , Pirko Ya. V. , Spivak S. I. , Yemets A. I. , Kalafat L. O. , Karelov A. V. , Kozub N. O. , Blume Ya. B. 
Published: March 2020

Aim. The aim of the study was a search of Sr2 and Sr33 gene resistance alleles in foreign and domestic wheat samples using molecular genetic markers. Methods. The PCR with provided molecular genetic markers and with specific primers of own design was used; CTAB method was used for DNA extraction; electrophoresis in agarose gel was used. Results. The analysis of 16 wheat samples using molecular genetic markers for stem rust resistance genes Sr2 and Sr33 was performed. In general, among 16 analyzed samples only two have Sr2 gene resistance allele, and another two – Sr33 gene resistance allele. There were no alleles of resistance of Sr-genes among the sorts of Ukrainian selection (Kharkivska 6 and Kharkivska 12), which were used in this study. Conclusions. There were four samples among the wheat lines/sorts with valuable traits of domestic and foreign selection that have Sr2 and Sr33 gene resistance alleles.
Keywords: wheat, molecular and genetic markers, resistance genes, stem rust.
Elucidation of the genetic mechanisms contributing to moenomycin resistance in actinobacteria
Authors: Ostash B. O. , Yushchuk O. S. , Koshla O. T. , Rebets Y. , Ostash I. S. , Sehin Y. V. , Busche T. , Kalinowski J. , Muth G. , Fedorenko V. O. 
Published: March 2020

Aim. Moenomycins are phosphoglycolipid antibiotics produced almost exclusively by representatives of genus Streptomyces. These antibiotics directly inhibit peptidoglycan glycosyltransferases and are extremely active against cocci. Here we studied how antibiotic-producing actinobacteria protect themselves from toxic action of moenomycins. Methods. Microbiological and molecular genetic approaches were combined to reveal intrinsic levels and distribution of moenomycin resistance across actinobacteria genera, and to pinpoint genes contributing to moenomycin resistance in model strain Streptomyces coelicolor M145. Results. Out of 51 actinobacterial species (90 % of which Streptomyces) being tested, only Streptomyces albus J1074 turned out to be highly susceptible to moenomycin A, although resistant variants can be facilely raised. Several classes of mutations increased level of susceptibility of S. coelicolor to moenomycin, although in no case the latter was equal to what we observed in J1074 strain. Conclusions. Moenomycin resistance is widespread across actinobacteria, and it most likely is caused by a combination factors, such as richly decorated cell wall and organization of divisome apparatus. It is possible that moenomycin resistance mechanisms operating in actinobacteria and pathogenic cocci are different.
Keywords: moenomycin, antibiotic resistance, peptidoglycan.
The ability of maize Lancaster inbreds to callusogenesis in vitro under varying environmental conditions
Authors: Derkach K. V. , Borysova V. V. , Maletskyi V. O. , Satarova T. M. 
Published: March 2020

Aim. This work is focused on the estimation of the callusogenic potential of 10 maize Lancaster germplasm inbreds in comparison with well-known inbreds-standards with high callusogenic ability A188, Chi31 and PLS61, and the identification of genotypes with stable morphogenic callus formation under varying conditions of donor plant cultivation during three years of researches. Methods. Method of cell, tissue and organ culture in vitro. Field method. One-way and two-way analysis of variance. Results. For the investigated Lancaster inbreds the average multi-annual value of the total frequency of callusogenesis was 80.1 %, the frequency of morphogenic type I callus formation was 25.7 %, type II callus formation was 43.8 %, but for inbreds-standards these ones reached, respectively, 96.2 %, 12.2 % and 65.4 %. The level of callusogenesis varied depending on the year of investigations for all studied genotypes. The influence of genotype, year conditions and the combination of these factors on callus induction for most of the studied inbreds was significant. Conclusions. The impact of the interaction of a genotype and ecological factors of donor plant cultivation on morphogenic callusogenesis of type I as well as type II was the most significant forLancaster inbreds.Lancaster inbreds ДK298, ДK6080, ДK212 and ДK420-1 were the most stable under varying environmental conditions on the total frequency of callusogenesis, the frequencies of morphogenic and type II callus formation. None of the studied inbreds revealed the stability on type I callus formation frequency. Keywords: maize (Zea mays L.), Lancaster germplasm, callusogenesis, culture in vitro.
Effect of short-term cold stress on flavonoid accumulation in Artemisia vulgaris and Artemisia annua “hairy” root cultures
Authors: Matvieieva N. A. , Havryliuk O. A. , Yastremska L. S. 
Published: March 2020

Aim. The aim of the work was to investigate the effect of short-term cold stress (+10°С) on the growth, flavonoid synthesis and antioxidant activity in Artemisia vulgaris L. and A. annua L. “hairy“ root cultures. Methods. Transgenic roots were cultivated during the first 1, 2 and 5 days at +10°C on Murashige and Skoog basal medium with twice reduced macrosalt content. The total flavonoids content in Rutin equivalent was determined using alcohol extract reaction with alumunium chloride. Antioxidant activity was studied using the DPPH method. Results. Short-term cold stress resulted in a reduction of mass increment by 12–76 %. The total flavonoid content in «hairy» roots ranged from 32.0±3.13 to 187.0±21.04 mg RE/g dry weight. Decrease of temperature has led to decrease of the flavonoids content in No. 1, No. 2 A. vulgaris root lines and No. 5 A. annua line by 18–33 %. The reaction of No. 3 A. vulgaris and No. 4 A. annua root lines was expressed in stimulation flavonoid synthesis by 62 % and 56.5 %. Cultivation of «hairy» roots under short-term cold stress has led to decrease of the antioxidant activity in all roots lines by 4–40 %. Conclusions. Сold stress had negative effect the “hairy“ roots growth, stimulated flavonoids accumulation only in two “hairy” root lines and reduced the level of antioxidant activity.
Keywords: «hairy» roots culture, Artemisia spp., cold stress, flavonoids, antioxidant activity.
Biochemical characteristics of checkpea (Cicer arietinum L.) seeds for selection of genotypes of food direction
Authors: Molodchenkova O. O. , Kartuzova T. V. , Bezkrovnaya L. Ya. , Lykhota E. B. , Bushulyan O. V. , Lavrova G. D. 
Published: March 2020

Aim. The goal of research was to study the features of biochemical composition of the chickpea seed for detection the characteristics which can be used to genotype selection of food direction. Methods. Research methods are standard methodologies of plant biochemical analysis and methods developed in the laboratory. 7S and 11S globulins were separated by method, which was developed in the Laboratory of Plant Biochemistry (Patent # 42181, 107671). Results. The features of content of protein, fat, carbohydrates, isoflavones, activity of lectins, lipoxygenase, content and ratio of vicilin and legumin in the chickpea seed of genotypes of Ukrainian and foreign plant breeding were established. The genotype differences of component intensity, presence-absence in the electrophoretic spectrum of chickpea albumins, globulins, glutelins which effect on seed food value were evoluted using electrophoretic and densitometric analyses. Conclusions. The main biochemical characteristics of chickpea which connected with seed quality and food value, content and component composition of main protein fractions, presence in component composition of protein subunits that have negative influence on the man health can be used to selection of chickpea genotypes of food direction.
Keywords: сhickpea, breeding, vicilin, legumin, isoflavones.
Inheritance of germination vigour in sugar beet sterility maintainers and their diallel hybrids
Authors: Kornieieva M. O. , Vakulenko P. I. , Andrieieva L. S. , Tymchyshyn S. M. 
Published: March 2020

Aim. To determine the degree of dominance of the “seed germination” sign and combination ability of sterility maintainers using diallel analysis. Methods. Hybridization of sterility maintainers was arranged as diallel crosses. Genetic determination of the sign was determined in accordance with Heyman’s method. Results. Used in crossing sterility maintainer lines have been studied in terms of their productivity in previous variety tests. D. The dominant inheritance of “seed germination” sign in diallel hybrids was determined as following: in the structure of the sign variability 43 % of cross combinations inherited this sign as positive dominance. Genetic determination of the “synergy of germination” sign was determined by the effects of combination ability. The additive effect of the female parent was assessed at 18.4 %, in male parent at 18.1 %, while the nonadditive effect of interaction between the components was at 40.7 % The influence of cytoplasmic effects amounted to 22,7 %. Selected were the best lines in specific pairs; their genetic value was studied as the average value of heterosis in many crossings involving specific lines. Conclusions. When forming sources of improved signs it is advisable to consider the cytoplasmic gene effects, which share is estimated at 22.7 %. The best lines in terms of general combination ability for seed germination found to be sterility maintainers Ot 1 and Ot 2.
Keywords: sterility maintainers, combination ability, seed germination, additive, non-additive, and reciprocal effects.
Cooperative Switching in Large‐Area Assemblies of Magnetic Janus Particles
Authors: Hwang Sangyeul , Nguyen Trung Dac , Bhaskar Srijanani , Yoon Jaewon , Klaiber Marvin , Lee Kyung Jin , Glotzer Sharon C. , Lahann Joerg 
Published: March 2020

AbstractMagnetic Janus particles (MJPs) have received considerable attention for their rich assembly behavior and their potential technological role in applications ranging from simple magnetophoretic displays to smart cloaking devices. However, further progress is hampered by the lack of predictive understanding of the cooperative self‐assembly behavior of MJPs and appropriate dynamic control mechanisms. In this paper, a detailed experimental and theoretical investigation into the magnetically directed spatiotemporal self‐assembly and switching of MJPs is presented. For this purpose, a novel type of MJPs with defined hemispherical compartments carrying superparamagnetic iron oxide nanoparticles as well as a novel simulation model to describe their cooperative switching behavior is established. Combination of the theoretical and experimental work culminates in a simple method to direct assemblies of MJPs, even at high particle concentrations. In addition, a magnetophoretic display with switchable MJPs is developed on the basis of the theoretical findings to demonstrate the potential usefulness of controlled large‐area assemblies of magnetic Janus particles.
Vertically Coated Graphene Oxide Micro‐Well Arrays for Highly Efficient Cancer Spheroid Formation and Drug Screening
Authors: Kim Cheol‐Hwi , Suhito Intan Rosalina , Angeline Novi , Han Yoojoong , Son Hyungbin , Luo Zhengtang , Kim Tae‐Hyung 
Published: March 2020

AbstractResearch on the 3D culturing of cancer cells that better mimic in vivo solid tumors is important for efficient drug screening. Herein, a new platform that effectively facilitates the formation of cancer spheroids for anticancer drug screening is reported. Cytophilic graphene oxide (GO), when selectively coated on the sidewalls of micro‐wells fabricated from a cell‐adhesion‐resistive polymer, is found to efficiently initiates distinct donut‐like formation of cancer cell spheroids. Scanning electron microscopy and Raman mapping are used to analyze vertically coated GO micropatterns (vGO‐MPs) of different sizes (100–250 µm) on polymer platforms, and human liver cancer cells (HepG2), as a model cancer, are seeded on these platforms. Remarkably, the 150 µm‐sized platform is found to easily and rapidly generate 3D spheroids in the absence of cell‐adhesion proteins. In addition, owing to the unique characteristics of GO, vGO‐MPs are highly stable for long periods of time (≈1 month), even under harsh conditions (>70 °C). Moreover, the anticancer effects of two drugs (hydroxyurea and cisplatin) and the potential anticancer compound (curcumin) on HepG2 cells are demonstrated by simply measuring decreases in spheroid sizes. Hence, this new platform is highly promising as a cancer spheroid‐forming material for rapid drug screening.
Materials as Machines
Authors: McCracken Joselle M. , Donovan Brian R. , White Timothy J. 
Published: March 2020

AbstractMachines are systems that harness input power to extend or advance function. Fundamentally, machines are based on the integration of materials with mechanisms to accomplish tasks—such as generating motion or lifting an object. An emerging research paradigm is the design, synthesis, and integration of responsive materials within or as machines. Herein, a particular focus is the integration of responsive materials to enable robotic (machine) functions such as gripping, lifting, or motility (walking, crawling, swimming, and flying). Key functional considerations of responsive materials in machine implementations are response time, cyclability (frequency and ruggedness), sizing, payload capacity, amenability to mechanical programming, performance in extreme environments, and autonomy. This review summarizes the material transformation mechanisms, mechanical design, and robotic integration of responsive materials including shape memory alloys (SMAs), piezoelectrics, dielectric elastomer actuators (DEAs), ionic electroactive polymers (IEAPs), pneumatics and hydraulics systems, shape memory polymers (SMPs), hydrogels, and liquid crystalline elastomers (LCEs) and networks (LCNs). Structural and geometrical fabrication of these materials as wires, coils, films, tubes, cones, unimorphs, bimorphs, and printed elements enables differentiated mechanical responses and consistently enables and extends functional use.
Potential Link between Cu Surface and Selective CO2 Electroreduction: Perspective on Future Electrocatalyst Designs
Authors: Tomboc Gracita M. , Choi Songa , Kwon Taehyun , Hwang Yun Jeong , Lee Kwangyeol 
Published: March 2020

AbstractElectrochemical reduction of carbon dioxide (CO2RR) product distribution has been identified to be dependent on various surface factors, including the Cu facet, morphology, chemical states, doping, etc., which can alter the binding strength of key intermediates such as *CO and *OCCO during reduction. Therefore, in‐depth knowledge of the Cu catalyst surface and identification of the active species under reaction conditions aid in designing efficient Cu‐based electrocatalysts. This progress report categorizes various Cu‐based electrocatalysts into four main groups, namely metallic Cu, Cu alloys, Cu compounds (Cu + non‐metal), and supported Cu‐based catalysts (Cu supported by carbon, metal oxides, or polymers). The detailed mechanisms for the selective CO2RR are presented, followed by recent relevant developments on the synthetic procedures for preparing Cu and Cu‐based nanoparticles. Herein, the potential link between the Cu surface and CO2RR performance is highlighted, especially in terms of the chemical states, but other significant factors such as defective sites and roughened morphology of catalysts are equally considered during the discussion of current studies of CO2RR with Cu‐based electrocatalysts to fully understand the origin of the significant enhancement toward C2 formation. This report concludes by providing suggestions for future designs of highly selective and stable Cu‐based electrocatalysts for CO2RR.
A Stimulus‐Responsive Zinc–Iodine Battery with Smart Overcharge Self‐Protection Function
Authors: Wang Faxing , Tseng Jochi , Liu Zaichun , Zhang Panpan , Wang Gang , Chen Guangbo , Wu Weixing , Yu Minghao , Wu Yuping , Feng Xinliang 
Published: March 2020

AbstractZinc–iodine aqueous batteries (ZIABs) are highly attractive for grid‐scale energy storage due to their high theoretical capacities, environmental friendliness, and intrinsic non‐flammability. However, because of the close redox potential of Zn stripping/platting and hydrogen evolution, slight overcharge of ZIABs would induce drastic side reactions, serious safety concerns, and battery failure. A novel type of stimulus‐responsive zinc–iodine aqueous battery (SR‐ZIAB) with fast overcharge self‐protection ability is demonstrated by employing a smart pH‐responsive electrolyte. Operando spectroelectrochemical characterizations reveal that the battery failure mechanism of ZIABs during overcharge arises from the increase of electrolyte pH induced by hydrogen evolution as well as the consequent irreversible formation of insulating ZnO at anode and soluble Zn(IO3)2 at cathode. Under overcharge conditions, the designed SR‐ZIABs can be rapidly switched off with capacity degrading to 6% of the initial capacity, thereby avoiding continuous battery damage. Importantly, SR‐ZIABs can be switched on with nearly 100% of capacity recovery by re‐adjusting the electrolyte pH. This work will inspire the development of aqueous Zn batteries with smart self‐protection ability in the overcharge state.
A Robust Methodology for the Synthesis of Phosphorothioates, Phosphinothioates and Phosphonothioates
Authors: Jones David J. , O'Leary Eileen M. , O'Sullivan Timothy P. 
Published: March 2020

AbstractA robust methodology for the synthesis of phosphorothioates, phosphinothioates and phosphonothioates, including those bearing low molecular weightS‐alkyl side‐chains, is presented. Application of the “caesium effect” in conjunction with the disulfide 3,3’‐dithiobis(propionitrile), which acts as a shelf‐stable sulfur source, avoids recourse to malodorous alkanethiols and toxic P−Cl precursors. A diverse range of sulfur‐containing organophosphorus targets, including phosphorus‐based heterocycles, may be prepared in consistently high yields. This chemistry also provides ready access to the corresponding DBU salts which are potential substrates for Pd‐catalysed coupling reactions.magnified image