bluuebunny/crossref_metadata_2025 huggingface dataset:
A combined experimental and computational investigation on pyrene based D–π–A dyes
Authors: Khamrang Themmila , Velusamy Marappan , Jaccob Madhavan , Ramesh Mohan , Kathiresan Murugavel , Kathiravan Arunkumar
Published: January 2018

The geometry (twist vs. planar) of a dye is one of the most pivotal factors for determining intramolecular charge transfer (ICT), light harvesting and photovoltaic properties of dye-sensitized solar cells.
Tunable reactivity of supported single metal atoms by impurity engineering of the MgO(001) support
Authors: Pašti Igor A. , Johansson Börje , Skorodumova Natalia V.
Published: January 2018

The reactivity of single Pd and Au atoms supported by MgO(001) can be tuned by surface doping.
Diabatic potential energy surfaces of MgH2+ and dynamic studies for the Mg+(3p) + H2 → MgH+ + H reaction
Authors: Yuan Jiuchuang , He Di , Wang Shufen , Chen Maodu , Han Keli
Published: January 2018

The global diabatic potential energy surfaces for the Mg+(3p) + H2 → MgH+ + H reaction are structured for the first time.
Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective
Authors: Thoresen Eirik Mydske , Balcells David , Øien-Ødegaard Sigurd , Hylland Knut Tormodssønn , Tilset Mats , Amedjkouh Mohamed
Published: January 2018

Nine new cyclometalated ruthenium(ii) complexes have been developed, amongst which two have been examined by UV-Vis spectroscopy and TD-DFT to elucidate their potential as visible light photosensitizers.
A novel fluorescent probe based on biphenyl and rhodamine for multi-metal ion recognition and its application
Authors: Tang Xu , Wang Yun , Han Juan , Ni Liang , Zhang Huiqin , Li Cheng , Li Jing , Qiu Yue
Published: January 2018

A novel fluorescent probe for the detection of multi metal ions was designed and synthesized based on the fluorophores of biphenyl and rhodamine.
An amplified platform nanostructure sensor for the analysis of epirubicin in the presence of topotecan as two important chemotherapy drugs for breast cancer therapy
Authors: Alavi-Tabari Seyed A. R. , Khalilzadeh Mohammad A. , Karimi-Maleh Hassan , Zareyee Daryoush
Published: January 2018

Epirubicin (EB) and topotecan (TP) are two major anticancer drugs that are used in breast cancer therapy with many side effects.
Stereospecific ligands and their complexes. XXIV. Synthesis, characterization and some biological properties of Pd(ii) and Pt(ii) complexes with R2-S,S-eddtyr
Authors: Stojković Danijela Lj. , Jevtić Verica V. , Radić Gordana P. , Đukić Maja B. , Jelić Ratomir M. , Zarić Milan M. , Anđelković Marija V. , Mišić Milena S. , Baskić Dejan D. , Trifunović Srećko R.
Published: January 2018

In vitroactivity of ligands and corresponding platinum(ii) and palladium(ii) complexes.
Phase partitioning, solvent-switchable BODIPY probes for high contrast cellular imaging and FCS
Authors: O’Connor Darragh , Byrne Aisling , Dolan Ciarán , Keyes Tia E.
Published: January 2018

Lipophilic BODIPY fluorphores, in which the BODIPY core bears pendant dipyrido[3,2-a:2′,3′-c]phenazine (Dppz) or naphthyridyl and cholesterol substituents were designed and prepared as lipid probes for both liposomes and live cell imaging.
Uniform Co3V2O8 microspheres via controllable assembly for high-performance lithium-ion battery anodes
Authors: Wu Memgqiang , Yang Jian , Chen Cheng , Feng Tingting , Gong Feng , Liao Jiaxuan
Published: January 2018

The magical formation process and excellent electrochemical performance.
Design of two-photon absorbing fluorophores for FRET antenna-core oxygen probes
Authors: Zheng Zheng , Ayhan Mehmet Menaf , Liao Yuan-Yuan , Calin Nathalie , Bucher Christophe , Andraud Chantal , Bretonnière Yann
Published: January 2018

Four two-photon absorbing fluorophores A1–A4 are reported and their spectroscopic properties are analyzed for use, in combination with palladium–porphyrinato complexes C1 and C2, as two-photon absorbing antennas and energy donors for FRET-based antenna-core oxygen sensitive phosphorescent probes.
From genomics to metabolomics, moving toward an integrated strategy for the discovery of fungal secondary metabolites
Authors: Hautbergue T. , Jamin E. L. , Debrauwer L. , Puel O. , Oswald I. P.
Published: January 2018

Fungal secondary metabolites are defined by bioactive properties that ensure adaptation of the fungus to its environment.
Mannich reaction of trifluoroacetaldehyde hydrazones: a useful entry to trifluoromethyl substituted heterocycles
Authors: Jia Shuanglong , El Kaim Laurent
Published: January 2018

N–N bond formation in Ugi processes: from nitric acid to the libraries of nitramines.
Comment on “Incipient plasticity of diamond during nanoindentation” by C. Xu, C. Liu and H. Wang, RSC Advances, 2017, 7, 36093
Authors: Goel Saurav , Stukowski Alexander
Published: January 2018

A recent molecular dynamics simulation study on nanoindentation of diamond carried out by Xu et al. has reported observation of the presence of a controversial hexagonal lonsdaleite phase of carbon in the indentation area.
l-Alanine capping of ZnO nanorods: increased carrier concentration in ZnO/CuI heterojunction diode
Authors: Indubala E. , Dhanasekar M. , Sudha V. , Malar E. J. Padma , Divya P. , Sherine Jositta , Rajagopal Revathy , Bhat S. Venkataprasad , Harinipriya S.
Published: January 2018

ZnO nanorods were capped with a simple amino acid, viz., l-Alanine to increase the carrier concentration and improve the performance of ZnO/CuI heterojunction diodes.
Phase-shifted paclitaxel-loaded multifunctional contrast agent for US/MR imaging and synergistic hyperthermal/chemotherapy of metastasis in lymph nodes
Authors: Tang Kui , Niu Chengcheng , Xu Yan , Zhu Yun , Tang Shixiong , Zhang Meixiang , Zhou Qichang
Published: January 2018

We fabricated novel polymer nanoparticles that can effectively absorb heat after irradiation by NIR irradiation, thereby synergistically enhancing tumor therapy via a phase-shift thermoelastic expansion effect.
Polyethylene glycol–gelatin hydrogels with tuneable stiffness prepared by horseradish peroxidase-activated tetrazine–norbornene ligation
Authors: Carthew J. , Frith J. E. , Forsythe J. S. , Truong V. X.
Published: January 2018

Mild oxidation of dihydrogen tetrazine by horseradish peroxidase was utilised in bioorthogonal crosslinking, via tetrazine–norbornene ligation, of polyethylene glycol–gelatin hydrogels.
Polystyrene nanoparticle-templated hollow titania nanosphere monolayers as ordered scaffolds
Authors: Robbiano V. , Paternò G. M. , Cotella G. F. , Fiore T. , Dianetti M. , Scopelliti M. , Brunetti F. , Pignataro B. , Cacialli F.
Published: January 2018

A novel class of ordered mesoporous titania scaffolds prepared via colloidal lithography is attractive for perovskite-based solar cells thanks to the increased light-trapping inside the perovskite layer induced by the feedback structure and to the improved perovskite film.
Supramolecular self-assembly of thiol functionalized pentaalkynylbenzene-decorated gold nanoparticles exhibiting a room temperature discotic nematic liquid crystal phase
Authors: Gupta Monika , Mohapatra Subhransu Sekhar , Dhara Surajit , Pal Santanu Kumar
Published: January 2018

First example of a room temperature discotic nematic liquid crystal made of gold nanoparticles.
Synthesis of (d)-erythrose from glycolaldehyde aqueous solutions under electric field
Authors: Cassone Giuseppe , Sponer Jiri , Sponer Judit E. , Pietrucci Fabio , Saitta A. Marco , Saija Franz
Published: January 2018

A Miller-like numerical experiment demonstrates that ubiquitarious molecules such as water and glycolaldehyde can synthesize (d)-erythrose, one of the direct precursors of ribose.
Dithioamide substitutions in proteins: effects on thermostability, peptide binding, and fluorescence quenching in calmodulin
Authors: Walters Christopher R. , Ferrie John J. , Petersson E. James
Published: January 2018

Combinations of thioamide modifications can enhance protein stability or fluorescence quenching.
Real-time monitoring of the aggregation of Alzheimer's amyloid-β via1H magic angle spinning NMR spectroscopy
Authors: Wang Jian , Yamamoto Tomoya , Bai Jia , Cox Sarah J. , Korshavn Kyle J. , Monette Martine , Ramamoorthy Ayyalusamy
Published: January 2018

Magic-angle-spinning NMR for monitoring amyloid aggregation reveals that mechanical rotation of Aβ1–40 monomers increases the rate of aggregation.
An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils
Authors: Castrovilli M. C. , Bolognesi P. , Bodo E. , Mattioli G. , Cartoni A. , Avaldi L.
Published: January 2018

Experimental and DFT-based theoretical studies of XPS and NEXAFS of 5-halouracils reveal the aromatic/conjugate properties of these molecules.
Gas-phase kinetics modifies the CCN activity of a biogenic SOA
Authors: Vizenor A. E. , Asa-Awuku A. A.
Published: January 2018

Cloud condensation nuclei (CCN) activity and the hygroscopicity of secondary organic aerosol (SOA) depends on the particle size and composition, explicitly, the thermodynamic properties of the aerosol solute and subsequent interactions with water. The gas-to-aerosol phase partitioning is critical for aerosol composition and thus gas-phase vapors and kinetics can play an important role in the CCN activity of SOA.
Solvent-dependent dual fluorescence of the push–pull system 2-diethylamino-7-nitrofluorene
Authors: Larsen M. A. B. , Stephansen A. B. , Alarousu E. , Pittelkow M. , Mohammed O. F. , Sølling T. I.
Published: January 2018

We characterize the conical intersection determining the fluorescence quantum yield and demonstrate the competition between ISC and dual fluorescence.
Photocleavable antimicrobial peptide mimics for precluding antibiotic resistance
Authors: Feng Yang , Zhang Yang-Yang , Li Ke , Tian Na , Wang Wei-Bo , Zhou Qian-Xiong , Wang Xue-Song
Published: January 2018

UV-cleavable antimicrobial peptide mimics were synthesized to address environmental accumulation issues.
A fluorescent 3,7-bis-(naphthalen-1-ylethynylated)-2′-deoxyadenosine analogue reports thymidine in complementary DNA by a large emission Stokes shift
Authors: Yanagi Masaki , Suzuki Azusa , Hudson Robert H. E. , Saito Yoshio
Published: January 2018

The first example of a fluorescent adenosine analogue possessing simultaneous major- and minor-groove substitution selectively reports base-pairing to thymidine.
Correction: Total synthesis of natural products via iridium catalysis
Authors: Yuan Changchun , Liu Bo
Published: January 2018

Correction for ‘Total synthesis of natural products via iridium catalysis’ by Changchun Yuan et al., Org. Chem. Front., 2018, 5, 106–131.
Correction: Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds
Authors: Monçalves Matias , Zanotto Gabriel M. , Toldo Josene M. , Rampon Daniel S. , Schneider Paulo H. , Gonçalves Paulo F. B. , Rodembusch Fabiano S. , Silveira Claudio C.
Published: January 2018

Correction for ‘Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds’ by Matias Monçalves et al., RSC Adv., 2017, 7, 8832–8842.
Correction: Single quantum dot-based nanosensor for sensitive detection of 5-methylcytosine at both CpG and non-CpG sites
Authors: Wang Zi-yue , Wang Li-juan , Zhang Qianyi , Tang Bo , Zhang Chun-yang
Published: January 2018

Correction for ‘Single quantum dot-based nanosensor for sensitive detection of 5-methylcytosine at both CpG and non-CpG sites’ by Zi-yue Wang et al., Chem. Sci., 2018, DOI: 10.1039/c7sc04813k.
A plastidial pantoate transporter with a potential role in pantothenate synthesis
Authors: Huang Lili , Pyc Michal , Alseekh Saleh , McCarty Donald R. , de Crécy-Lagard Valérie , Gregory Jesse F. , Henry Christopher S. , Fernie Alisdair R. , Mullen Robert T. , Hanson Andrew D.
Published: January 2018

The pantothenate (vitamin B5) synthesis pathway in plants is not fully defined because the subcellular site of its ketopantoate → pantoate reduction step is unclear. However, the pathway is known to be split between cytosol, mitochondria, and potentially plastids, and inferred to involve mitochondrial or plastidial transport of ketopantoate or pantoate. No proteins that mediate these transport steps have been identified. Comparative genomic and transcriptomic analyses identified Arabidopsis thaliana BASS1 (At1g78560) and its maize (Zea mays) ortholog as candidates for such a transport role. BASS1 proteins belong to the bile acid : sodium symporter family and share similarity with the Salmonella enterica PanS pantoate/ketopantoate transporter and with predicted bacterial transporters whose genes cluster on the chromosome with pantothenate synthesis genes. Furthermore, Arabidopsis BASS1 is co-expressed with genes related to metabolism of coenzyme A, the cofactor derived from pantothenate. Expression of Arabidopsis or maize BASS1 promoted the growth of a S. enterica panB panS mutant strain when pantoate, but not ketopantoate, was supplied, and increased the rate of [3H]pantoate uptake. Subcellular localization of green fluorescent protein fusions in Nicotiana tabacum BY-2 cells demonstrated that Arabidopsis BASS1 is targeted solely to the plastid inner envelope. Two independent Arabidopsis BASS1 knockout mutants accumulated pantoate ∼10-fold in leaves and had smaller seeds. Taken together, these data indicate that BASS1 is a physiologically significant plastidial pantoate transporter and that the pantoate reduction step in pantothenate biosynthesis could be at least partly localized in plastids.
Metformin attenuates effects of cyclophilin A on macrophages, reduces lipid uptake and secretion of cytokines by repressing decreased AMPK activity
Authors: Ramachandran Surya , Anandan Vinitha , Kutty V. R. , Mullasari Ajit , Pillai M. Radhakrishna , Kartha Cheranellore Chandrasekharan
Published: January 2018

Growing evidence implicates cyclophilin A secreted by vascular wall cells and monocytes as a key mediator in atherosclerosis. Cyclophilin A in addition to its proliferative effects, during hyperglycemic conditions, increases lipid uptake in macrophages by increasing scavenger receptors on the cell’s surface. It also promotes macrophage migration across endothelial cells and conversion of macrophages into foam cells. Given the known effects of metformin in reducing vascular complications of diabetes, we investigated the effect of metformin on cyclophilin A action in macrophages. Using an ex vivo model of cultured macrophages isolated from patients with type 2 diabetes with and without coronary artery disease (CAD), we measured the effect of metformin on cyclophilin A expression, lipid accumulation, expression of scavenger receptors, plasma cytokine levels and AMP-activated protein kinase (AMPK) activity in macrophages. In addition, the effects of metformin on migration of monocytes, reactive oxygen species (ROS) formation, lipid uptake in the presence of cyclophilin A inhibitors and comparison with pioglitazone were studied using THP-1 monocytes. Metformin reduced cyclophilin A expression in human monocyte-derived macrophages. Metformin also decreased the effects of cyclophilin A on macrophages such as oxidized low-density lipoprotein (oxLDL) uptake, scavenger receptor expression, ROS formation and secretion of inflammatory cytokines in high-glucose conditions. Metformin reversed cyclophilin A-induced decrease in AMPK-1α activity in macrophages. These effects of metformin were similar to those of cyclophilin A inhibitors. Metformin can thus function as a suppressor of pro-inflammatory effects of cyclophilin A in high-glucose conditions by attenuating its expression and repressing cyclophilin A-induced decrease in AMPK-1α activity in macrophages.
Spatial distribution of main clupeid species in relation to acoustic assessment surveys in the continental shelves of Senegal and The Gambia
Authors: Sarré Abdoulaye , Krakstad Jens-Otto , Brehmer Patrice , Mbye Ebou Mass
Published: January 2018

This work compiles hydroacoustic recordings and catch data over Senegambia (Senegal and The Gambia) from assessment surveys on the major clupeid species to identify sources of bias in abundance estimates caused by their horizontal distribution. The latitudinal distribution of small pelagic fish is often well known, while their “across shelf” distribution on the continental shelf is less understood. The southern part of the Senegambian shelf has a wide shallow water (<10 m) area that makes up 20% (1500 NM2) of the total shelf surface, while the northern part accounts for 3% (200 NM2). These areas are not assessed by conventional fisheries acoustics surveys and therefore increase the uncertainty of the assessment of these species. Our findings show that this likely introduces a bias in the assessment of Sardinella maderensis, while for S. aurita no major estimation-error is caused by their horizontal distribution. The data confirm that Ethmalosa fimbriata and Ilisha africana are challenging to assess by conventional surveys, due to their mostly inshore distribution. We emphasise the usefulness of assessing S. aurita through fisheries independent hydroacoustic surveys, and propose alternative methods to survey shallow water areas to reduce biases in biomass estimates and distribution mapping.
NLRP3, un inflammasome sous contrôle
Authors: Groslambert Marine , Py Bénédicte F.
Published: January 2018

La réponse immunitaire innée protège l’organisme par la détection rapide des agents pathogènes et des lésions via des récepteurs spécialisés, dont NLRP3. Celui-ci assemble un inflammasome, un complexe cytosolique de signalisation qui active la caspase-1, contrôle la libération de cytokines et de facteurs inflammatoires produits dans le cytosol comme les interleukines 1α/β Les pathologies inflammatoires associées à NLRP3, dont la goutte, révèlent la nécessité d’un contrôle étroit de son activité. Cette revue présente les avancées sur la signalisation du priming (ou amorçage) du complexe puis de son activation avec une attention particulière sur le rôle des modifications post-traductionnelles de NLRP3.
Optimum oil palm planting density in West Africa
Authors: Bonneau Xavier , Impens Reinout , Buabeng Maxwell
Published: January 2018

This article follows on from an earlier one about the same experiment in 2014. A range of various planting distances (from 7.5 to 9.5 metres) between oil palms was tested using an equilateral triangle design. The current planting density experiment was set up in an oil palm plantation in Nigeria. The climatic conditions are quite stable, with two seasons and around 2000 mm of annual rainfall. The soil is of the desaturated ferralitic type, sandy on the surface, deep and without coarse elements. After twelve years of continual monitoring and extrapolation of the results obtained up to the end of the cycle, we concluded on an optimum planting density of between 143 and 160 oil palms per hectare in a monospecific, equilateral triangle planting design (i.e. a distance of 8.5 to 9 metres between palms). It will take another few years of yield recording to fine-tune the result. For 12-year-old palms, this density range corresponds to a Leaf Area Index of 3.5 to 4, a light interception percentage of 89 to 90 and a foliage overlap percentage of 51 to 68. A thinning treatment was included in the protocol. Thinning at eight years has not led to any advantage after four years.
LAMN property for the drift and volatility parameters of a sde driven by a stable Lévy process
Authors: Clément Emmanuelle , Gloter Arnaud , Nguyen Huong
Published: January 2018

This work focuses on the local asymptotic mixed normality (LAMN) property from high frequency observations, of a continuous time process solution of a stochastic differential equation driven by a truncated α-stable process with index α ∈ (0, 2). The process is observed on the fixed time interval [0,1] and the parameters appear in both the drift coefficient and scale coefficient. This extends the results of Clément and Gloter [Stoch. Process. Appl. 125 (2015) 2316–2352] where the index α ∈ (1, 2) and the parameter appears only in the drift coefficient. We compute the asymptotic Fisher information and find that the rate in the LAMN property depends on the behavior of the Lévy measure near zero. The proof relies on the small time asymptotic behavior of the transition density of the process obtained in Clément et al. [Preprint HAL-01410989v2 (2017)].
An overview on pedestrians involved in traffic accidents in Latvia: Years 2010-2014
Authors: Bukova-Zideluna A. , Villerusa A. , Lama A.
Published: January 2018

Latvian national road accident statistics shows that for the vulnerable road users’ situation is critical, since pedestrians are involved in more than a quarter of road traffic accidents. This paper gives an analysis on pedestrians involved in road traffic accidents based on the road safety accident database in Latvia for the years 2010–2014. The total number of cases does not change significantly, however there has been an increase in pedestrian fatality rates over the period. From the total number of traffic accidents with pedestrians involved 92.4% had injuries, 6.8% were lethal cases and others didn't suffer from injuries. Out of 342 fatalities 37.7% occurred during the winter period, 56.1% in adverse weather (overcast, fog, rain or snow), 69.9% during twilight or darkness and 26.9% on weekends. Out of all accidents 55.3% occurred in the capital city Riga, but fatality rate was higher on main state roads. 8.1% of the total number of pedestrians involved in road traffic accidents was found to have alcohol in their blood right after the road traffic accident. Fatality rate was higher for those with exceeded BAC. Pedestrian injury risk analysis was associated with demographical and traffic-related factors, urbanization, visibility and seasonal patterns.
Legal analysis of systemic investment protection regulation in the European Union’s financial sector
Authors: Bocs L.
Published: January 2018

After the Treaty of Lisbon the European Union has an exclusive and uniform competence regarding investment agreements within its common commercial policy. Yet the political events in 2016 showed that there are still many regional differences politically and economically, especially after the so-called Brexit and negotiations with the United States of America in relation to transatlantic trade and investment. Therefore, the aim of the research is to determine the legal framework and related problems for unified investment protection within the European Union. Using descriptive, logical and deductive methodology the paper establishes a juristic base consensus for trade and investment policies, concludes that so far those policies have been systemically neglected due to regional differences in economic development and accordingly suggests to unify and protect the common investment policies by using already existing regional judicial mechanisms of member states within a unified code of conduct.
Lapse of rights connected with assignment of legal claims, problematic issues and their solution
Authors: Nemenova V.
Published: January 2018

Impact of transfer of legal claim on the destiny of rights security and connected claims may differ. The aim of the article is to analyze the transfer of rights connected with transferred legal claims, to survey the problematic issues and to suggest methods of their solution. The author analyzes legal norms, judicial practice of Germany, Switzerland, Russia and Latvia, as well as opinions of law scientists about transfer of guarantee, lien, penalty, interest, losses compensation and agreement of court of arbitration in connection with assigned legal claims. The author offers her own point of view regarding the issue and suggestions on amendments in the legal acts.
Issues in separation of criminal procedural functions
Authors: Kaija S.
Published: January 2018

The term ‘criminal procedural function’. has historically been used by scientists. In order to identify primary issues in procedural functions, the competition principle was analyzed. This strengthened such important issues as separation of prosecution and court functions, parties’ equality, independence of courts etc. Therefore, the concept of three concept functions – prosecution, defence and adjudication - was developed in criminal proceedings. In the context of the Criminal Procedure Law having taking effect, this term was included into the law, including the principle of separation of criminal procedural functions. The aim of this paper is to offer the insight into interpretation of the concept of the criminal procedural function with the special focus on specific issues in function separation. Section 17 of Criminal Procedure Law determines the function of control of restrictions of human rights in a pre-trail. The functions of prosecution, defence and adjudication do not determine their priority over all other criminal procedural functions. These functions are claimed to be separate and therefore cannot be applied to the same person. This paper examines the equivalence of procedural functions as one of the most fair of the court elements. In the end, key conclusions are summarized.
Health literacy as a challenge for health education
Authors: Stars I.
Published: January 2018

Scientific literature demonstrates a well-established correlation between education and health literacy; education and health outcomes; health literacy and health outcomes. Health literacy has a mediating role between education and health. Health literacy is known as a complex concept, it has multiple definitions, underlying meanings and conceptual models. Diversity of health literacy can be a challenging motivator for health education.

In-depth study of scientific literature was carried out to highlight the link between health literacy and health education and to emphasize health literacy challenges for health education.

Five health literacy challenges for health education were identified: 1) health literacy as an outcome related to health education interventions; 2) multi-layered health literacy or different levels of health literacy; 3) the concept of health literacy and its comprehensiveness; 4) shift from a passive to more interactive and empowering health education; 5) cultural context of health literacy and health education.

Enhanced health literacy definitions and conceptual models require more complex, comprehensive, socially oriented, culture sensitive, participatory health education.
Risks to health of the population of the nonindustrial city from quality of atmospheric air
Authors: Abdikadirova I. , Zasorin B. , Yermukhanova L. , Sabyrakhmetova V. , Zhexenova A. , Urazova U.
Published: January 2018

Risk assessment to public health living in the environmental problems is of great importance for humans today. However, the main attention is paid to major industrial centers, while for cities not having developed industries such studies are rare. The study of the intensity and structure of chemical air pollution was conducted to determine the risk levels for human health from effects of the chemical air pollution in residential areas of Aktau city (West Kazakhstan). Method of retrospective analysis of emissions into the atmosphere was used, and damage to health was determined in accordance with the risk assessment procedure. We take into account the major pollutants, the city being in the air basin - sulfur dioxide, hydrogen sulfide, carbon monoxide, nitrogen oxides, ammonia and total hydrocarbons. The main threat to children's health is caused by common hydrocarbons (88%), nitrogen oxides (5%), and ammonia (3%). The estimated cancer risk is defined at the level of 10-3 - 10-4, it corresponds to the limits and requires regular monitoring.
Study of dispensary patients of working age with circulatory system diseases through the automated control systems
Authors: Abdikadirova I. , Chukmaitov A.S. , Yermukhanova L. , Bekbauova A.
Published: January 2018

Diseases of the circulatory system occupy a leading position among the diseases prevalence of which is increasing with each passing year and is sustainable. The leading reasons for the circulatory diseases as revealed by prophylactic medical examination are arterial hypertension, chronic heart failure, arrhythmia and coronary heart disease. The growth in the number of circulatory system diseasescauses medical and social problem - disability of the working-age population. In order to determine the role of Automated Control System the study of morbidity, disability and mortality due tocirculatory system diseaseswas conducted in the municipal polyclinic №4 of Aktobe city (West Kazakhstan). The method of retrospective data analysis of annual statistical reports and data from the portal "Electronic Register of dispensary patients", "Automated Information System", "Drug Supply Information System" was used. The incidence of circulatory system diseasesin dispensary patients of working age had risen from 1.94% (2011) to 2.8% (2015). In the main classes of primary disability the circulatory system diseasesin terms of growth steadily occupy the first place ranking.
Adaptive behaviour as a factor of psychological health
Authors: Kuftyak E.
Published: January 2018

The results of the research revealed that psychologically healthy children more often choose the strategy of passive retreat from difficulties, children with mental health problems are more focused on a destructive emotions expression and "risk group" children use defence of "regression" and "replacement". The psychological defence and coping-strategies contributing to the psychological health state have also been revealed during research. We consider that the received results can be used in the development of evidence-based value orientations and practical recommendations for the healthy personality cultivation.
Impact of Ba to Si deposition rate ratios during molecular beam epitaxy on carrier concentration and spectral response of BaSi2 epitaxial films
Authors: Takabe Ryota , Deng Tianguo , Kodama Komomo , Yamashita Yudai , Sato Takuma , Toko Kaoru , Suemasu Takashi
Published: January 2018

Undoped 0.5-μm-thick BaSi2 epitaxial films were grown on Si(111) substrates with various ratios of the Ba deposition rate to the Si deposition rate (RBa/RSi) ranging from 1.0 to 5.1, and their electrical and optical properties were characterized. The photoresponse spectra drastically changed as a function of RBa/RSi, and the quantum efficiency reached a maximum at RBa/RSi = 2.2. Hall measurements and capacitance versus voltage measurements revealed that the electron concentration drastically decreased as RBa/RSi approached 2.2, and the BaSi2 films with RBa/RSi= 2.0, 2.2, and 2.6 exhibited p-type conductivity. The lowest hole concentration of approximately 1 × 1015 cm−3 was obtained for the BaSi2 grown with RBa/RSi = 2.2, which is the lowest value ever reported. First-principles calculations suggest that Si vacancies give rise to localized states within the bandgap of BaSi2 and therefore degrade the minority-carrier properties.
Single-shot thermal ghost imaging using wavelength-division multiplexing
Authors: Deng Chao , Suo Jinli , Wang Yuwang , Zhang Zhili , Dai Qionghai
Published: January 2018

Ghost imaging (GI) is an emerging technique that reconstructs the target scene from its correlated measurements with a sequence of patterns. Restricted by the multi-shot principle, GI usually requires long acquisition time and is limited in observation of dynamic scenes. To handle this problem, this paper proposes a single-shot thermal ghost imaging scheme via a wavelength-division multiplexing technique. Specifically, we generate thousands of correlated patterns simultaneously by modulating a broadband light source with a wavelength dependent diffuser. These patterns carry the scene's spatial information and then the correlated photons are coupled into a spectrometer for the final reconstruction. This technique increases the speed of ghost imaging and promotes the applications in dynamic ghost imaging with high scalability and compatibility.
The effect of a warm electron beam on slow electron-acoustic solitons
Authors: Mbuli L. N. , Bharuthram R. , Maharaj S. K.
Published: January 2018

The effects of the inclusion of finite drift speed of a warm electron component on the existence of arbitrary amplitude slow electron-acoustic solitons are investigated in a model with ions and cool, warm, and hot electrons. All plasma species are treated as adiabatic fluids. For fixed densities of the cool, warm, and hot electrons, the admissible Mach number ranges of the supported negative potential solitons are found to widen with increasing warm electron beam speed, up to a maximum value of vdbwo = 0.7. Beyond this maximum value, the soliton Mach number ranges become narrower and vanish completely at vdbwo = 1.084 where a switch to positive polarity solitons occurs. For a fixed value of the drift speed of the warm electrons, the cool electron density value at which the switch to positive polarity soliton occurs is the lowest when there is no streaming of the warm electrons but increases with increasing drift speed.
Optical response of hybrid semiconductor quantum dot-metal nanoparticle system: Beyond the dipole approximation
Authors: Mohammadzadeh Atefeh , Miri MirFaez
Published: January 2018

We study the response of a semiconductor quantum dot-metal nanoparticle system to an external field E0 cos (ωt). The borders between Fano, double peaks, weak transition, strong transition, and bistability regions of the phase diagram move considerably as one regards the multipole effects. The exciton-induced transparency is an artifact of the dipole approximation. The absorption of the nanoparticle, the population inversion of the quantum dot, the upper and lower limits of intensity where bistability occurs, the characteristic time to reach the steady state, and other features of the hybrid system change due to the multipole effects. The phase diagrams corresponding to the fields parallel and perpendicular to the axis of system are quite distinguishable. Thus, both the intensity and the polarization of the incident field can be used to control the system. In particular, the incident polarization can be used to switch on and switch off the bistable behavior. For applications such as miniaturized bistable devices and nanosensors sensitive to variations of the dielectric constant of the surrounding medium, multipole effects must be considered.
Stationary statistical theory of two-surface multipactor regarding all impacts for efficient threshold analysis
Authors: Lin Shu , Wang Rui , Xia Ning , Li Yongdong , Liu Chunliang
Published: January 2018

Statistical multipactor theories are critical prediction approaches for multipactor breakdown determination. However, these approaches still require a negotiation between the calculation efficiency and accuracy. This paper presents an improved stationary statistical theory for efficient threshold analysis of two-surface multipactor. A general integral equation over the distribution function of the electron emission phase with both the single-sided and double-sided impacts considered is formulated. The modeling results indicate that the improved stationary statistical theory can not only obtain equally good accuracy of multipactor threshold calculation as the nonstationary statistical theory, but also achieve high calculation efficiency concurrently. By using this improved stationary statistical theory, the total time consumption in calculating full multipactor susceptibility zones of parallel plates can be decreased by as much as a factor of four relative to the nonstationary statistical theory. It also shows that the effect of single-sided impacts is indispensable for accurate multipactor prediction of coaxial lines and also more significant for the high order multipactor. Finally, the influence of secondary emission yield (SEY) properties on the multipactor threshold is further investigated. It is observed that the first cross energy and the energy range between the first cross and the SEY maximum both play a significant role in determining the multipactor threshold, which agrees with the numerical simulation results in the literature.
Driving spin transition at interface: Role of adsorption configurations
Authors: Zhang Yachao
Published: January 2018

A clear insight into the electrical manipulation of molecular spins at interface is crucial to the design of molecule-based spintronic devices. Here we report on the electrically driven spin transition in manganocene physisorbed on a metallic surface in two different adsorption configurations predicted by ab initio techniques, including a Hubbard-U correction at the manganese site and accounting for the long-range van der Waals interactions. We show that the application of an electric field at the interface induces a high-spin to low-spin transition in the flat-lying manganocene, while it could hardly alter the high-spin ground state of the standing-up molecule. This phenomenon cannot be explained by either the molecule-metal charge transfer or the local electron correlation effects. We demonstrate a linear dependence of the intra-molecular spin-state splitting on the energy difference between crystal-field splitting and on-site Coulomb repulsion. After considering the molecule-surface binding energy shifts upon spin transition, we reproduce the obtained spin-state energetics. We find that the configuration-dependent responses of the spin-transition originate from the binding energy shifts instead of the variation of the local ligand field. Through these analyses, we obtain an intuitive understanding of the effects of molecule-surface contact on spin-crossover under electrical bias.
Multiple branches of resistive wall mode instability in a resistive plasma
Authors: Yang S. X. , Liu Y. Q. , Hao G. Z. , Wang Z. X. , He Y. L. , He H. D. , Wang A. K. , Xu M.
Published: January 2018

The resistive wall mode (RWM) instability is numerically investigated for a toroidal resistive plasma, with results compared to those of an analytic cylindrical model. The full toroidal code MARS-F [Liu et al., Phys. Plasmas 7, 3681 (2000)] is applied for a computational study. The results indicate that there are two branches of unstable RWMs, when the toroidal favorable average curvature effect (the GGJ effect) is taken into account in the resistive layer. In addition, the GGJ physics not only directly affects the mode growth rate, but also indirectly modifies the mode stability by changing the continuum damping through modifying the mode frequency in the plasma frame. Furthermore, the plasma resistivity can either stabilize or destabilize the RWM, depending on the regime of key plasma parameters (e.g., the plasma rotation). Similarly, the plasma rotation can stabilize or destabilize the RWM, depending on the plasma resistivity. These numerical results from MARS-F are qualitatively confirmed by an analytic theory model which includes the GGJ effect.
Flow structure of compound droplets moving in microchannels
Authors: Che Zhizhao , Yap Yit Fatt , Wang Tianyou
Published: January 2018

Compound droplets can be used in substance encapsulation and material compartmentalization to achieve a precise control over the relevant processes in many applications, such as bioanalysis, pharmaceutical manufacturing, and material synthesis. The flow fields in compound droplets directly affect the performance of these applications, but it is challenging to measure them experimentally. In this study, the flow in compound droplets in axisymmetric microchannels is simulated using the finite volume method, and the interface is captured using the level set method with surface tension accounted for via the ghost fluid method. The combination of the level set method and the ghost fluid method reduces spurious currents that are produced unphysically near the interface and achieves a precise simulation of the complex flow field within compound droplets. The shape of compound droplets, the vortical patterns, the velocity fields, and the eccentricity are investigated, and the effects of the key dimensionless parameters, including the size of the compound droplet, the size of the core droplet, the capillary number, and the viscosity ratio, are analyzed. The flow structures in multi-layered compound droplets are also studied. This study not only unveils the complex flow structure within compound droplets moving in microchannels but can also be used to achieve a precise control over the relevant processes in a wide range of applications of compound droplets.
Influence of electrode gap on breakdown voltages of a multi-gap pseudospark discharge device under nanosecond pulses
Authors: Zhang J. , Liu X.
Published: January 2018

Pseudospark-sourced electron beams of high energy can be produced in multi-gap pseudospark devices under high breakdown voltages. The breakdown voltages and the gap separation of the discharge device have been studied. Collisional ionization in the gaps has been semi-quantitatively analyzed. Based on the results, the influence of the electrode gap on the breakdown voltages has been verified. Collisional ionization during device discharge begins initially in the first gap near the cathode. The electrons produced in the first gap move towards the second gap and contribute to the collisional ionization in the second gap. The process proceeds to successive gaps with collisional ionization occurring in all gaps. For wider gap separations, the number of collisional ionizations in the gap is large, and hence, more electrons move through the intermediate electrodes into the posterior gaps. This creates a cascading of collisional ionizations, leading to a decrease in breakdown voltage. The influence of the coefficient of collisional ionization on the whole process in the posterior gaps may be slight under different gap separations, as electrons moving into the posterior gaps are plentiful. The breakdown voltage mainly depends on the first gap separation near the cathode.
Photocharge accumulation and recombination in perovskite solar cells regarding device performance and stability
Authors: Li Yusheng , Li Yiming , Shi Jiangjian , Li Hongshi , Zhang Huiyin , Wu Jionghua , Li Dongmei , Luo Yanhong , Wu Huijue , Meng Qingbo
Published: January 2018

Photocharge accumulation and recombination in perovskite solar cells have been systematically investigated in this paper by electrochemical spectroscopy and transient photocurrent/photovoltage methods. It is found that the non-equilibrium photocharges stored in the selective charge transport layers follow a backward recombination mechanism. That is, the photocharges are first captured by the interface defects corresponding to the fast photovoltage decay, while the bulk charge recombination instead of the diffusion process dominates the slow photovoltage decay process. Further investigation reveals that the device degradation preferentially takes place at the interface under working conditions, which thus can confirm the importance of interface engineering to enhance the device stability.
Ultraviolet regularity for QED in d = 3
Authors: Dimock J.
Published: January 2018

We study the ultraviolet problem for quantum electrodynamics in d = 3 using Balaban’s formulation of the renormalization group. The model is defined on a fine toroidal lattice and we seek control as the lattice spacing goes to zero. As a first step, we take a bounded field approximation and solve the renormalization problem. Namely, we show that the bare energy density and the bare fermion mass can be chosen to depend on the lattice spacing, so that under the renormalization group flow they take preassigned values on a macroscopic scale. This is accomplished by a nonperturbative technique which is insensitive to whether the renormalizations are finite or infinite.
Magnetic properties and core electron binding energies of liquid water
Authors: Galamba N. , Cabral Benedito J. C.
Published: January 2018

The magnetic properties and the core and inner valence electron binding energies of liquid water are investigated. The adopted methodology relies on the combination of molecular dynamics and electronic structure calculations. Born-Oppenheimer molecular dynamics with the Becke and Lee-Yang-Parr functionals for exchange and correlation, respectively, and includes an empirical correction (BLYP-D3) functional and classical molecular dynamics with the TIP4P/2005-F model were carried out. The Keal-Tozer functional was applied for predicting magnetic shielding and spin-spin coupling constants. Core and inner valence electron binding energies in liquid water were calculated with symmetry adapted cluster-configuration interaction. The relationship between the magnetic shielding constant σ(17O), the role played by the oxygen atom as a proton acceptor and donor, and the tetrahedral organisation of liquid water are investigated. The results indicate that the deshielding of the oxygen atom in water is very dependent on the order parameter (q) describing the tetrahedral organisation of the hydrogen bond network. The strong sensitivity of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between σ(17O) and the energy gap between the 1a1[O1s] (core) and the 2a1 (inner valence) orbitals of water. Although several studies discussed the eventual connection between magnetic properties and core electron binding energies, such a correlation could not be clearly established. Here, we demonstrate that for liquid water this correlation exists although involving the gap between electron binding energies of core and inner valence orbitals.
Kinetic instability of AlGaN alloys during MBE growth under metal-rich conditions on m-plane GaN miscut towards the -c axis
Authors: Shirazi-HD M. , Diaz R. E. , Nguyen T. , Jian J. , Gardner G. C. , Wang H. , Manfra M. J. , Malis O.
Published: January 2018

AlxGa1-xN layers with Al-composition above 0.6 (0.6 < x < 0.9) grown under metal-rich conditions by plasma-assisted molecular beam epitaxy on m-plane GaN miscut towards the -c axis are kinetically unstable. Even under excess Ga flux, the effective growth rate of AlGaN is drastically reduced, likely due to suppression of Ga-N dimer incorporation. The defect structure generated during these growth conditions is studied with energy dispersive x-ray spectroscopy scanning transmission electron microscopy as a function of Al flux. The AlGaN growth results in the formation of thin Al(Ga)N layers with Al-composition higher than expected and lower Al-composition AlGaN islands. The AlGaN islands have a flat top and are elongated along the c-axis (i.e., stripe-like shape). Possible mechanisms for the observed experimental results are discussed. Our data are consistent with a model in which Al-N dimers promote release of Ga-N dimers from the m-plane surface.
Surface damage in cystine, an amino acid dimer, induced by keV ions
Authors: Salles R. C. M. , Coutinho L. H. , da Veiga A. G. , Sant’Anna M. M. , de Souza G. G. B.
Published: January 2018

We have studied the interaction of an ion beam (17.6 keV F−) with cystine, a dimer formed by the binding of two cysteine residues. Cystine can be considered as an ideal prototype for the study of the relevance of the disulfide (—S—S—) chemical bond in biomolecules. For the sake of comparison, the amino acid cysteine has also been subjected to the same experimental conditions. Characterization of the samples by XPS and NEXAFS shows that both pristine cystine and pristine cysteine are found as a dipolar ion (zwitterion). Following irradiation, the dimer and the amino acid show a tendency to change from the dipole ion form to the normal uncharged form. The largest spectral modification was observed in the high resolution XPS spectra obtained at around the N 1s core level for the two biomolecules. The 2p sulfur edge spectra of cysteine and cystine were much less sensitive to radiation effects. We suggest that the disulfide bond (—S—S—) remains stable before and after irradiation, contributing to the larger radiation stability of cystine as compared to the amino acid cysteine.