bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ab Initio Calculation of Structure and Thermodynamic Properties of Zintl Aluminide SrAl2
Authors: Fu Zhi-Jian , Jia Li-Jun , Xia Ji-Hong , Tang Ke , Li Zhao-Hong , Sun Xiao-Wei , Chen Qi-Feng 
Published: October 2015

Abstract
The structural and thermodynamic properties of the orthorhombic and cubic structure SrAl2 at pressure and temperature are investigated by using the ab initio plane-wave pseudopotential density functional theory methodwithin the generalised gradient approximation (GGA). The calculated lattice parameters are in agreement with the available experimental data and other theoretical results. The phase transition predicted takes place at 0.5 GPa from the orthorhombic to the cubic structure at zero temperature. The thermodynamic properties of the zinc-blende structure SrAl2 are calculated by the quasi-harmonic Debye model. The pressure–volume relationship and the variations inthe thermal expansion α are obtained systematically in the pressure and temperature ranges of 0–5 GPa and 0–500 K, respectively.
Multicomponent green synthesis, spectroscopic and structural investigation of multi-substituted imidazoles. Part 1
Authors: Mohamed Shaaban K. , Simpson Jim , Marzouk Adel A. , Talybov Avtandil H. , Abdelhamid Antar A. , Abdullayev Yusif A. , Abbasov Vagif M. 
Published: October 2015

AbstractTen 1,2,4,5-tetra-substituted imidazole derivatives have been synthesized with a 2-hydroxyethy substituent at the 1-nitrogen atom and potentially electron releasing hydroxy-, methoxy-, dimethylamino- or nitro substituents in various positions on the benzene ring located on the 2-carbon atom. The prototypical derivative with an unsubstituted phenyl ring at the 2-position is also reported. The compounds are obtained in excellent yields (average 86%) via a four-component cyclocondensation reaction of benzil, ethanolamine, and the appropriate aromatic carbaldehyde together with ammonium acetate. The reaction uses a novel ionic liquid catalyst, DEAHS (diethyl ammonium hydrogen sulfate), under solvent-free conditions and a green synthetic protocol. The key advantages of this process are high yield, shorter reaction times and ease of work-up. Furthermore, the products can be purified by a non-chromatographic method and the catalyst is re-usable. All of these newly synthesized compounds have been characterized from spectral data; the X-ray structures of three representative molecules are also detailed.
1,8-Naphthalimide derivative-based turn-off fluorescent probe for the detection of picrate in organic aqueous media
Authors: Wu Huilu , Wang Cuiping , Zhang Jiawen , Zhang Yanhui , Chen Chengyong , Yang Zaihui , Fan Xuyang 
Published: October 2015

AbstractThe synthesis of a simple fluorescent naphthalimide-based receptorN-allyl-4-iminodi(N-butylacetamide)-1,8-naphthalimide3was carried out as a selective picrate (Pic–) anion probe, and the detecting behavior of this probe was studied by fluorescence spectroscopy. In DMF solution, the interaction of compound3with different anions, including Pic–, F–, Cl–, Br–, I–, OH–, Ac–, NO3–, ClO4–, SCN–, SO32–, SO42–, H2PO4–, and HPO42–, revealed significant fluorescence quenching only with the Pic–anion. By adding the picrate anions, green-yellow fluorescence emission quenches, which is easily observed by naked eyes under a 365 nm UV light irradiation. This phenomenon is essential for producing a highly selective and sensitive fluorescent probe for picrate anions. The probe can be applied to the quantification of Pic–with a linear range covering from 4.97 × 10–6to 6.82 × 10–5mand a detection limit of 5.8 × 10–7m. Most importantly, probe3has a high selectivity for picrate over competitive anions and picrate-containing analytes, which meet the selective requirements for practical application. Thus, the present results would be inspiring findings in the future design of reaction-based fluorescent turn-off probes for the environmentally relevant picrate probe.
A 3D mixed-valence Cu(I)/Cu(II) coordination polymer constructed by 2-(2-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline and 1,3-benzenedicarboxylate
Authors: Kong Zhi-Guo , Guo Sheng-Nan , Sun Bo , Ng Seik Weng 
Published: October 2015

Abstract
A mixed-valence Cu(I)/Cu(II) coordination polymer, namely, [Cu2(L)(1,3-BDC)]
n
(1), has been synthesized under hydrothermal conditions (HL = 2-(2-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline and 1,3-H2BDC = 1,3-benzenedicarboxylic acid). Its structure has been determined by single crystal X-ray diffraction analysis and powder X-ray diffraction. The crystals are the monoclinic space group P21/c with a = 10.686(4), b = 17.376(8), c = 11.759(4) Å, β = 92.072(14)°, C27H14Cu2FN4O4, M
r = 604.50, V = 2182.1(15) Å3, Z = 4, D
calcd. = 1.84 g cm–3, R = 0.0588 and wR = 0.1202 (all data). In complex 1, the mixed-valence Cu(I)/Cu(II) atoms are linked by L and 1,3-BDC to give a rare 3D (3,3,4)-connected (4.7.9)(7.8.9)(4.7.8.93) framework. The temperature-dependent magnetic susceptibility of 1 was investigated in the temperature range of 2–300 K.
Fluxional behaviour of tricyclo[2.2.1.02,6]heptaphosphide trisanion: a DFT investigation
Authors: Bhargava Meha , Maheshwari Pooja , Kour Manjinder , Bansal Raj K. 
Published: October 2015

AbstractThe structures of the tricyclo[2.2.1.02,6]heptaphosphide trisanion, tricyclo[2.2.1.02,6]heptaphosphane triradical and their carbocyclic analogues have been investigated theoretically at the density functional theory (DFT) (B3LYP/6-31 + G*) level. The existence of negative hyperconjugation in these molecules could be established by natural bond orbital analysis. The weakening of theσbonds combined with the possibility of the valence-shell expansion at the anionic charge carrying phosphorus atoms in the tricyclo[2.2.1.02,6]heptaphosphide trisanion induces a degenerate [2,2]sigmatropic rearrangement with a low energy barrier making all the phosphorus atoms equivalent, as detected by31P NMR experimentally. This energy barrier is enhanced in the presence of counterions. Its carbocyclic analogue trisanion fails to undergo a [2,2]sigmatropic rearrangement due to the inability of the anionic carbon centres to expand their valence shell. The tricyclo[2.2.1.02,6]heptaphosphane triradical and its carbocyclic analogue undergo a [2,2]sigmatropic rearrangement, as valence-shell expansion at the carbon atom is not required in this case. A lower activation energy barrier for the [2,2]sigmatropic rearrangement of the tricyclo[2.2.1.02,6]heptane triradical as compared to that for its phospha-analogue can be rationalised on the basis of the higher ring strain of cyclopropane than triphosphirane.
cDNA cloning and functional characterisation of four antimicrobial peptides from Paa spinosa
Authors: Dong Bao Juan , Zhan Zhong Gen , Zheng Rong Quan , Chen Wen , Min Jin Jin 
Published: October 2015

Abstract
Antimicrobial peptides (AMPs) are small peptides found in many organisms defending themselves against pathogens. AMPs form the first line of host defence against pathogenic infections and are key components of the innate immune system of amphibians. In the current study, cDNAs of precursors of four novel antimicrobial peptides in the skin of Paa spinosa were cloned and sequenced using the 3′-RACE technique. Mature peptides, named spinosan A–D, encoded by the cDNAs were chemically synthesized and their chemical properties were predicted. The antimicrobial, antioxidative, cyotoxic and haemolytic activities of these four AMPs were determined. While the synthesised spinosans A–C exhibited no activity towards any of the bacterial strains tested, spinosan-D exhibited weak but broad-spectrum antimicrobial activities against Gram-positive and Gram-negative bacteria. All peptides were weakly haemolytic towards rabbit erythrocytes, had a strong antioxidative activity, and a low cytotoxic activity against HeLa cells. These findings provide helpful insights that may be useful in the future design of anti-infective peptide agents.
Modulation by Trace Amine-Associated Receptor 1 of Experimental Parkinsonism, l-DOPA Responsivity, and Glutamatergic Neurotransmission
Authors: Alvarsson Alexandra , Zhang Xiaoqun , Stan Tiberiu L , Schintu Nicoletta , Kadkhodaei Banafsheh , Millan Mark J. , Perlmann Thomas , Svenningsson Per 
Published: October 2015

Parkinson's disease (PD) is a movement disorder characterized by a progressive loss of nigrostriatal dopaminergic neurons. Restoration of dopamine transmission byl-DOPA relieves symptoms of PD but causes dyskinesia. Trace Amine-Associated Receptor 1 (TAAR1) modulates dopaminergic transmission, but its role in experimental Parkinsonism andl-DOPA responses has been neglected. Here, we report that TAAR1 knock-out (KO) mice show a reduced loss of dopaminergic markers in response to intrastriatal 6-OHDA administration compared with wild-type (WT) littermates. In contrast, the TAAR1 agonist RO5166017 aggravated degeneration induced by intrastriatal 6-OHDA in WT mice. Subchronicl-DOPA treatment of TAAR1 KO mice unilaterally lesioned with 6-OHDA in the medial forebrain bundle resulted in more pronounced rotational behavior and dyskinesia than in their WT counterparts. The enhanced behavioral sensitization tol-DOPA in TAAR1 KO mice was paralleled by increased phosphorylation of striatal GluA1 subunits of AMPA receptors. Conversely, RO5166017 counteracted bothl-DOPA-induced rotation and dyskinesia as well as AMPA receptor phosphorylation. Underpinning a role for TAAR1 receptors in modulating glutamate neurotransmission, intrastriatal application of RO5166017 prevented the increase of evoked corticostriatal glutamate release provoked by dopamine deficiency after 6-OHDA-lesions or conditional KO of Nurr1. Finally, inhibition of corticostriatal glutamate release by TAAR1 showed mechanistic similarities to that effected by activation of dopamine D2receptors. These data unveil a role for TAAR1 in modulating the degeneration of dopaminergic neurons, the behavioral response tol-DOPA, and presynaptic and postsynaptic glutamate neurotransmission in the striatum, supporting their relevance to the pathophysiology and, potentially, management of PD.SIGNIFICANCE STATEMENTParkinson's disease (PD) is characterized by a progressive loss of nigrostriatal dopaminergic neurons. Restoration of dopamine transmission byl-DOPA relieves symptoms of PD but causes severe side effects. Trace Amine-Associated Receptor 1 (TAAR1) modulates dopaminergic transmission, but its role in PD andl-DOPA responses has been neglected. Here, we report that TAAR1 potentiates the degeneration of dopaminergic neurons and attenuates the behavioral response tol-DOPA and presynaptic and postsynaptic glutamate neurotransmission in the striatum, supporting the relevance of TAAR1 to the pathophysiology and, potentially, management of PD.
Enhanced Functional Activity of the Cannabinoid Type-1 Receptor Mediates Adolescent Behavior
Authors: Schneider Miriam , Kasanetz Fernando , Lynch Diane L. , Friemel Chris M. , Lassalle Olivier , Hurst Dow P. , Steindel Frauke , Monory Krisztina , Schäfer Carola , Miederer Isabelle , Leweke F. Markus , Schreckenberger Mathias , Lutz Beat , Reggio Patricia H. , Manzoni Olivier J. , Spanagel Rainer 
Published: October 2015

Adolescence is characterized by drastic behavioral adaptations and comprises a particularly vulnerable period for the emergence of various psychiatric disorders. Growing evidence reveals that the pathophysiology of these disorders might derive from aberrations of normal neurodevelopmental changes in the adolescent brain. Understanding the molecular underpinnings of adolescent behavior is therefore critical for understanding the origin of psychopathology, but the molecular mechanisms that trigger adolescent behavior are unknown. Here, we hypothesize that the cannabinoid type-1 receptor (CB1R) may play a critical role in mediating adolescent behavior because enhanced endocannabinoid (eCB) signaling has been suggested to occur transiently during adolescence. To study enhanced CB1R signaling, we introduced a missense mutation (F238L) into the ratCnr1gene that encodes for the CB1R. According to our hypothesis, rats with the F238L mutation (Cnr1F238L) should sustain features of adolescent behavior into adulthood. Gain of function of the mutated receptor was demonstrated byin silicomodeling and was verified functionally in a series of biochemical and electrophysiological experiments. Mutant rats exhibit an adolescent-like phenotype during adulthood compared with wild-type littermates, with typical high risk/novelty seeking, increased peer interaction, enhanced impulsivity, and augmented reward sensitivity for drug and nondrug reward. Partial inhibition of CB1R activity inCnr1F238Lmutant rats normalized behavior and led to a wild-type phenotype. We conclude that the activity state and functionality of the CB1R is critical for mediating adolescent behavior. These findings implicate the eCB system as an important research target for the neuropathology of adolescent-onset mental health disorders.SIGNIFICANCE STATEMENTWe present the first rodent model with a gain-of-function mutation in the cannabinoid type-1 receptor (CB1R). Adult mutant rats exhibit an adolescent-like phenotype with typical high risk seeking, impulsivity, and augmented drug and nondrug reward sensitivity. Adolescence is a critical period for suboptimal behavioral choices and the emergence of neuropsychiatric disorders. Understanding the basis of these disorders therefore requires a comprehensive knowledge of how adolescent neurodevelopment triggers behavioral reactions. Our behavioral observations in adult mutant rats, together with reports on enhanced adolescent CB1R signaling, suggest a pivotal role for the CB1R in an adolescent brain as an important molecular mediator of adolescent behavior. These findings implicate the endocannabinoid system as a notable research target for adolescent-onset mental health disorders.
Theologie der heiligen Pilgerstätten – biblische und pastorale Aspekte
Authors: Ostrowski Maciej 
Published: October 2015

Der Artikel konzentriert sich auf ausgewählte Aspekte der Theologie der Sanktuarien, der Orte, die Ziel christlicher Pilgerfahrten sind. Der Autor stützt sich auf biblische Texte, besonders betreffend das Gelobte Land und die Heilige Stadt Jerusalem mit seinem Tempel, sowie Dokumente des Päpstlichen Rates für die Seelsorge der Migranten und Menschen unterwegs. Jedes irdische Sanktuarium drückt an erster Stelle die Liebe Gottes an den Menschen aus. Gott schafft mit seiner Initiative einen günstigen Platz für ein näheres Treffen mit dem Menschen. Auf der anderen Seite sucht der Mensch selbst einen solchen Platz. Das Sanktuarium ist ein Ort, in dem der Mensch „in Gott ruht” - kommt mit ihm in eine nahe Gemeinschaft. Gleichzeitig kündigt es die künftige Vereinigung mit Gott in Ewigkeit an – „ewige Ruhe in Gott ” nach den Strapazen der irdischen Pilgerfahrt. Dort wird der Mensch die Fülle der Freude und das Glück erreichen. So wie das Gelobte Land und der Tempel von Jerusalem für die Israeliten das Zentrum der Schaffung der Einheit und der Identität des auserwählten Volkes waren, so sind heute Sanktuarien das Werkzeug der Erschaffung und Befestigung der Gemeinschaft der Kirche, an der sich Ankömmlinge aus allen Himmelsrichtungen drängen. Der Artikel unterstreicht, dass die heutigen Sanktuarien nicht nur Orte intensiven Gebets sind, der Blütezeit der Liturgie, sondern auch Zentren der Darbringung von geistigen Opfern, Buße und Bekehrung der Sünder, sowie geistiger Erneuerung eines jeden Pilgers.
Święcenia kapłańskie kobiet z perspektywy prawosławnej
Authors: Kałużny Tadeusz 
Published: October 2015

Celem niniejszego artykułu jest prezentacja aktualnego stanowiska prawosławia w sprawie możliwości święceń kapłańskich kobiet. Z problemem święceń (ordynacji) kobiet Kościoły prawosławne zetknęły się w latach 60. ubiegłego stulecia w ramach Światowej Rady Kościołów. Początkowo teologowie prawosławni postrzegali tę kwestię jako obcą dla ich świadomości eklezjalnej. Z biegiem czasu, pod wpływem kontaktów z Kościołami chrześcijańskimi na Zachodzie, prawosławie uświadomiło sobie wagę problemu i potrzebę pogłębionej refleksji na ten temat. Wyzwanie to podjęli teologowie prawosławni, zwłaszcza z Europy Zachodniej i USA. Praktyka święceń kapłańskich kobiet została negatywnie oceniona w dokumencie końcowym Międzyprawosławnej Konsultacji Teologicznej na Rodos (1988). Podobne stanowisko strona prawosławna wyraziła w dokumentach końcowych międzywyznaniowych dialogów ekumenicznych. Zawarte w tych tekstach prawosławne argumenty przeciw święceniom kobiet koncentrują się wokół tradycji poświadczonej w Piśmie Świętym, antropologii, symbolizmu liturgicznego i jedności chrześcijan. Aktualne stanowisko prawosławia w sprawie możliwości święceń kapłańskich kobiet jest więc negatywne. Można jednocześnie zauważyć pewne zróżnicowanie poglądów teologów prawosławnych w tej kwestii, co może świadczyć o tym, że debaty wokół święceń kapłańskich kobiet w prawosławiu nie można uznać za zakończoną.
Factors Determining a Choice of a Math Competition as a Form of Educating Gifted Children: a Case Studio of Professor Matulionis ‘Young Mathematicians’ Competition
Authors: Dabrišienė Vilija , Visockienė Ona 
Published: October 2015

The aim of this article is to reveal factors determining a choice of a Math competition as a form of educating gifted children, on the basis of a case of professor Matulionis ‘young mathematicians’ competition. Research showed that a pupil’s decision to participate in a Math competition is determined by the following groups of factors:
1. Impact of education policy is not very significant, however, due to it, a number of participants of competitions has increased and teachers began using various teaching forms while educating gifted children.
2. A pupil’s decision is more influenced by his / her personal, inner factors than by the external ones. Pupil‘s sex is a very important factor: boys tend to participate in competitions more often and their results are better. Even though they rarely attend extra lessons, they have a desire to win.
3. One of the major factors is a location and a school a pupil came from. A particular school, and in some cases not even a school but a location (Kretinga or Visaginas), influences a number of participants as well as their results.
4. Another important factor is the groups of peers sharing the same interests. Pupils who belong to such groups not only more often strive to achieve better results but also more frequently discuss their work with their friends and teachers and enjoy solving problems.
FEATURES OF PLASMAPHERESIS IN THE TREATMENT OF GRAFT REJECTION AFTER KIDNEY TRANSPLANTATION
Authors: Vatazin A. V. , Zulkarnaev A. B. , Kantarija R. O. , Krstich M. , Faenko A. P. 
Published: October 2015

Introduction. The development of immunological confl ict in the form of host-versus-graft reaction has always been main problem in transplantation. The worst case is the development of humoral rejection with the presence of circulating immune complexes and antibodies. There are several methods for quick removal of antibodies; among those are traditional plasmapheresis (PA) and double fi ltration plasmapheresis (DFPF). In this paper we present our experience with these two methods and give a comparative evaluation of the effectiveness in the treatment of acute humoral rejection in renal allograft. Aim: to compare the effectiveness of traditional and double fi ltration plasmapheresis while processing different volumes of plasma in the treatment of host-versus-graft disease after kidney transplantation.Methods. The study included 58 patients after kidney transplantation. All patients had increased activity of humoral immunity, which was confi rmed by immunofl uorescence with luminescence C4d complement component. In 26 patients we performed DFPF, in 32 patients – traditional PA. We divided the DFPF patients into 4 subgroups depending on the amount of processed plasma: > 50% (5 patients), 50–100% (8 patients), 100–150% (7 patients), 150–200% (6 patients) of circulating plasma volume. We also divided PA patients into four subgroups depending on the volume of plasma removed: >50% (8 patients), 50–70% (12 patients), 70–90% (7 patients), 90–110% (5 patients) of the volume of circulating plasma. We monitored the immune status with markers of humoral immunity activation IgM, IgG before and after each of the procedures.Results. Each procedure of traditional PA and DFPF was accompanied by a marked decrease in blood concentrations of IgM and IgG antibodies. Their level decreased by an average of 30–55% of the original. However, some patients in both groups showed an increase in the concentration of these immunoglobulins in 1–2 days after the fi rst and the second procedures. The effect of rebound was observed during DFPF if in one procedure less than 100% of the circulation plasma volume was processed and during traditional PA if less than 70% was removed. Upon reaching the target values and increasing the processing volumes we managed to avoid growth of IgM and IgG.Conclusions. DFPF and traditional PA can effectively reduce the high titers of circulating antibodies, which is accompanied by a decrease in the activity of humoral immunity of the recipient. In the case of double fi ltration plasmapheresis at least one volume of circulating plasma should be processed and in traditional plasmapheresis – at least 70% should be removed.
THE LEGAL PROTECTION OF INNOVATIVE TECHNOLOGIES IN THE TRANSPLANTATION OF VITAL ORGANS. WAYS OF INTRODUCTION OF INVENTIONS: PROBLEMS AND PROSPECTS
Authors: Nikitina M. V. , Shevchenko O. P. 
Published: October 2015

The article deals with the legal protection of inventions in V.I. Shumakov Federal Research Center of Transplantology and Artifi cial Organs