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Tushar S Basu Baul, Imliwati Longkumer, Andrew Duthie, Priya Singh, Biplob Koch, M Fátima C Guedes da Silva
Metal complexes with organelle specificity and potent but selective cytotoxicity are highly desirable. A novel series of triphenylstannyl 4-((arylimino)methyl)benzoates (2-8) were obtained by the reactions of triphenylstannyl 4-formylbenzoate [Ph3Sn(L1)] 1 with primary aromatic amines. Two representative compounds (10, 11) were also synthesized by reacting aqua-triphenylstannyl 2-formylbenzoate [Ph3Sn(L9)(H2O)] (9) with aniline and p-fluoroaniline, respectively. These compounds were characterized by elemental analysis, IR and 1H, 13C and 119Sn NMR spectroscopy, as well as single-crystal X-ray diffraction for compounds 5, 7-11 and three pro-ligands...
January 18, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Marcin Kurowski, Janusz Jurczyk, Marzanna Jarzębska, Aleksandra Wardzyńska, Hubert Krysztofiak, Marek L Kowalski
INTRODUCTION: Periostin is a matricellular protein expressed by many tissues. Its release may be enhanced, among others, through mechanical stimulation of muscles and bones as well as by cytokines of allergic inflammation. OBJECTIVES: Our aim was to assess periostin levels in serum and exhaled breath condensate (EBC) of professional athletes, asthmatics and healthy controls. We also sought to determine whether acute treadmill exercise influences serum and EBC periostin...
January 8, 2018: Clinical Respiratory Journal
Dimitrios Maganas, Serena DeBeer, Frank Neese
In this work, the efficiency of first principles calculations of X-ray absorption spectra of large chemical systems is drastically improved. The approach is based on the previously developed restricted open shell configuration interaction singles (ROCIS) method and its parameterized version, based on a density functional theory (DFT) ground state determinant ROCIS/DFT. The combination of the ROCIS or DFT/ROCIS methods with the well-known machinery of the pair natural orbitals (PNOs) leads to the new PNO-ROCIS and PNO-ROCIS/DFT variants...
January 9, 2018: Journal of Physical Chemistry. A
Joyce C S Camargo, Vitor Varela, Fernanda M Ferreira, Lucila Pougy, Angela M Ochiai, Maria Elisabete Santos, Maria Catarina L R Grande
INTRODUCTION: The following quantitative observational study aimed to analyse the maternal and neonatal outcomes of 90 low-risk pregnant women who gave birth in water at São Bernardo Hospital. METHODS: A form containing information on the obstetric history of the parturient, the type of immersion, and the labour and birth follow-up was used by midwives to collect the data. BACKGROUND: The Apgar score (at 1min after birth) used in this study, called Aqua Apgar, was adapted by Cornelia Enning...
January 2, 2018: Women and Birth: Journal of the Australian College of Midwives
Boris Y Zaslavsky, Vladimir N Uversky
Despite a common practice of presenting structures of biological molecules on empty background and assumption that interactions between biological macromolecules take place within the inert solvent, water represents an active component of various biological processes. This perspective addresses indispensable, yet mostly ignored, roles of water in biological liquid-liquid phase transitions and in the biogenesis of various proteinaceous membrane-less organelles. It is pointed out that changes in the water structure reflected in the changes of its abilities to donate and/or accept hydrogen bond and participate in dipole-dipole and dipole-induced dipole interactions in the presence of various solutes (ranging from small molecules, to synthetic polymers, and to biological macromolecules) might represent a driving force of the liquid-liquid phase separation, define partition of various solutes in formed phases, and define the exceptional ability of intrinsically disordered proteins to be engaged in the formation of proteinaceous membrane-less organelles...
January 5, 2018: Biochemistry
F Mélin, V Vantrepotte, A Chuprin, M Grant, T Jackson, S Sathyendranath
In this work, trend estimates are used as indicators to compare the multi-annual variability of different satellite chlorophyll-a (Chla) data and to assess the fitness-for-purpose of multi-mission Chla products as climate data records (CDR). Under the assumption that single-mission products are free from spurious temporal artifacts and can be used as benchmark time series, multi-mission CDRs should reproduce the main trend patterns observed by single-mission series when computed over their respective periods...
December 15, 2017: Remote Sensing of Environment
Zhaojiang Zuo, Youyou Yang, Qinghuan Xu, Wangting Yang, Jingxian Zhao, Lv Zhou
There is diverse phosphorus (P) in eutrophicated waters, but it is considered as a crucial nutrient for cyanobacteria growth due to its easy precipitation as insoluble salts. To uncover the effects of complex P nutrients on the emission of volatile organic compounds (VOCs) from cyanobacteria and their toxic effects on other algae, the VOCs from Microcystis flos-aquae supplied with different types and amount of P nutrients were analyzed, and the effects of VOCs and their two main compounds on Chlamydomonas reinhardtii growth were investigated...
December 20, 2017: Environmental Geochemistry and Health
Hanna Eriksson Röhnisch, Jan Eriksson, Elisabeth Müllner, Peter Agback, Corine Sandström, Ali A Moazzami
A key limiting step for high-throughput NMR-based metabolomics is the lack of rapid and accurate tools for absolute quantification of many metabolites. We developed, implemented, and evaluated an algorithm, AQuA (Automated Quantification Algorithm), for targeted metabolite quantification from complex 1H-NMR spectra. AQuA operates based on spectral data extracted from a library consisting of one standard calibration spectrum for each metabolite. It uses one pre-selected NMR signal per metabolite for determining absolute concentrations and does so by effectively accounting for interferences caused by other metabolites...
December 20, 2017: Analytical Chemistry
Yuxuan Zhu, Xiaojie Tu, Xin-Sheng Chai, Qun Wei, Lina Guo
This work investigated the biological activities and nitrogen and phosphorus removal during the anabaena flos-aquae biofilm growth on the polyvinyl chloride (PVC) carriers, in different nutrient form mediums. The study showed that the production of dehydrogenase activity (DHA) and extracellular polymeric substances (EPS) can reach 40.4 g/(h·m2) and 115 × 10-2 g/m2 in an 11-day period, respectively, indicating that the anabaena flos-aquae biofilm had high biological activities. The results showed that the nitrogen and phosphorus removal reached 94...
December 6, 2017: Bioresource Technology
Volodymyr M Hiiuk, Diana D Barakhty, Sergiu Shova, Ruslan A Polunin, Il'ya A Gural'skiy
In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH} n , the FeII cation, located on an inversion centre, is coordinated by four water mol-ecules in the equatorial positions and two 1,2-bis-(pyridin-4-yl)ethene mol-ecules in the axial positions. This results in a distorted octa-hedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis-(pyridin-4-yl)ethene mol-ecules bridge the FeII cations, forming polymeric chains running along the a-axis direction. Stabilization of the crystal structure is provided by O-H⋯O hydrogen bonds; these are formed by coordinated water mol-ecules as donors towards the O atoms of the methanol mol-ecules and tosyl-ate anions as acceptors of protons, leading to the formation of a three-dimensional supra-molecular network...
December 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
R Drisya, U S Soumya Mol, P R Satheesh Chandran, M Sithambaresan, M R Sudarsankumar
The title compound, {[La2(CH3COO)2(C8H10O4)2(H2O)4]·2H2O} n or [La2(ac)2(e,a-cis-1,4-chdc)2(H2O)4]·2H2O, where ac is acetate and 1,4-chdc is cyclo-hexane-1,4-di-carboxyl-ate anion, is a binuclear lanthanum(III) complex. Each metal atom is deca-coordinated by four O atoms from two distinct 1,4-chdc2- ligands, four O atoms from three acetate groups and two O atoms from coordinated water mol-ecules to form a distorted bicapped square-anti-prismatic geometry. Two non-coordinated water mol-ecules are also present in the formula unit...
December 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Daeyoung Kim, Sung Kwon Kang
In the title compound, [Cu(C7H3NO4)(C3H4N2)(H2O)]·2H2O, the CuII atom is coordinated by three O atoms and two N atoms, provided by a tridentate pyridine-2,6-di-carboxyl-ate (pdc), one pyrazole and one water ligand, forming a slightly distorted square-pyramidal geometry [range of O-Cu-O and O-Cu-N bond angles = 79.55 (8)-166.22 (10)°]. The water mol-ecule is positioned at the apical position. In the crystal, the complex mol-ecule and the two crystallographically independent non-coordinating water mol-ecules are linked into a supra-molecular layer structure parallel to the ab plane via O-H⋯O and N-H⋯O hydrogen bonds...
December 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Paola Paoli, Eleonora Macedi, Patrizia Rossi, Luca Giorgi, Mauro Formica, Vieri Fusi
The title compound, {[Ba{Co(H-2L1)}(ClO4)(H2O)]ClO4} n , L1 = 4,10-bis-[(3-hy-droxy-4-pyron-2-yl)meth-yl]-1,7-dimethyl-1,4,7,10-tetra-aza-cyclo-dodeca-ne, is a one-dimensional coordination polymer. The asymmetric unit consists of a {Ba[Co(H-2L1)](ClO4)(H2O)}+ cationic fragment and a non-coordinating ClO4- anion. In the neutral [Co(H-2L1)] moiety, the cobalt ion is hexa-coordinated in a trigonal-prismatic fashion by the surrounding N4O2 donor set. The Ba2+ ion is nine-coordinated and exhibits a distorted [BaO9] monocapped square-anti-prismatic geometry, the six oxygen atoms coming from three distinct [Co(H-2L1)] moieties, while the remaining three vertices are occupied by the oxygen atoms of a bidentate perchlorate anion and a water mol-ecule...
December 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Ugochukwu Okeke, Yilma Gultneh, Ray J Butcher
The structure of the title compound, [Zn(C14H18N4)(C2H3N)(H2O)](ClO4)2, contains a six-coordinate cation consisting of the tetra-dentate bis-picen ligand, coordinated water, and coordinated aceto-nitrile, with the latter two ligands adopting a cis configuration. There are two formula units in the asymmetric unit. Both cations show almost identical structural features with the bis-picen ligand adopting the more common cis-β conformation. One of the four perchlorate anions is disordered over two positions, with occupancies of 0...
October 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Tristen E Moyaert, Christina Paul, Weibin Chen, Amy A Sarjeant, Louise N Dawe
A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine (L1) is reported. The single-crystal X-ray structure of aqua-[aqua/chlorido-(0.49/0.51)](2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) 0.49-chloride 1.51-hydrate, [CuCl1.51(C10H13N7S)(H2O)1.49]Cl0.49·1.51H2O or [(L1)Cl1.51(H2O)1.49Cu]0.49Cl·1.51H2O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water...
October 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Linda Kang, Genevieve Lynch, Will Lynch, Clifford Padgett
Three manganese(II) N-oxide complexes have been synthesized from the reaction of manganese(II) chloride with either pyridine N-oxide (PNO), 2-methyl-pyridine N-oxide (2MePNO) or 3-methyl-pyridine N-oxide (3MePNO). The compounds were synthesized from methano-lic solutions of MnCl2·4H2O and the respective N-oxide, and subsequently characterized structurally by single-crystal X-ray diffraction. The compounds are catena-poly[[aqua-chlorido-manganese(II)]-di-μ-chlorido-[aqua-chlorido-manganese(II)]-bis-(μ-pyridine N-oxide)], [MnCl2(C5H5NO)(H2O)] n or [MnCl2(PNO)(H2O)] n (I), catena-poly[[aqua-chlorido-man-gan-ese(II)]-di-μ-chlorido-[aqua-chlorido-manganese(II)]-bis-(μ-2-methyl-pyridine N-oxide)], [MnCl2(C6H7NO)(H2O)] n or [MnCl2(2MePNO)(H2O)] n (II), and bis-(μ-3-methyl-pyridine N-oxide)bis-[di-aqua-dichlorido-manganese(II)], [Mn2Cl4(C6H7NO)2(H2O)4] or [MnCl2(3MePNO)(H2O)2]2 (III)...
October 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Anchalee Tassanakajon, Giuseppe Scapigliati
No abstract text is available yet for this article.
March 2018: Developmental and Comparative Immunology
Peter S Hall, Alison Smith, Claire Hulme, Armando Vargas-Palacios, Andreas Makris, Luke Hughes-Davies, Janet A Dunn, John M S Bartlett, David A Cameron, Andrea Marshall, Amy Campbell, Iain R Macpherson, Dan Rea, Adele Francis, Helena Earl, Adrienne Morgan, Robert C Stein, Christopher McCabe
BACKGROUND: Precision medicine is heralded as offering more effective treatments to smaller targeted patient populations. In breast cancer, adjuvant chemotherapy is standard for patients considered as high-risk after surgery. Molecular tests may identify patients who can safely avoid chemotherapy. OBJECTIVES: To use economic analysis before a large-scale clinical trial of molecular testing to confirm the value of the trial and help prioritize between candidate tests as randomized comparators...
December 2017: Value in Health: the Journal of the International Society for Pharmacoeconomics and Outcomes Research
Mohammad Saleem, Hafiz Akbar Ali, Muhammad Furqan Akhtar, Uzma Saleem, Ammara Saleem, Iram Irshad
This study was conducted to validate the hepatoprotective activity of Cosmos sulphureus and Cosmos bipinnatus. Aqua-methanolic extracts of both plants were evaluated for the presence of various phyto-constituents through HPLC. Different doses of both plant extracts were administered to rats for nine days. Standard control was silymarin 100 mg/kg. Paracetamol 1 gm/kg was administered 3 h post treatment on 9th day for induction of hepatotoxicity. Blood was collected for the evaluation of liver biochemical markers and livers were removed for histopathological evaluation 24 h post-paracetamol treatment...
December 11, 2017: Natural Product Research
Jie Deng, Fenghong Chen, YinYan Lai, Qing Luo, Rui Xu, Chunquan Ou, Qingling Fu, Jianbo Shi
BACKGROUND: In China, clarithromycin is considered an effective treatment option for chronic rhinosinusitis (CRS) due to its unique immunopathologic characteristics. Our study's aim was to determine whether a topical steroid and clarithromycin combination is better than a single topical steroid for Chinese patients with CRS. METHODS: Patients with CRS with/without nasal polyps were included in this study and randomly assigned to a clarithromycin plus budesonide aqua nasal spray group (CLM + BUD, clarithromycin 0...
November 30, 2017: International Forum of Allergy & Rhinology
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