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Complex 1

Wen-Xu Hong, Fengwen Huang, Tianwen Huan, Xu Xu, Qingguo Han, Gaofeng Wang, Hong Xu, Shan Duan, Yongheng Duan, Xun Long, Ying Liu, Zhangli Hu
A pair of ruthenium(II) complex enantiomers, Δ- and Λ-[Ru(bpy)2PBIP]2+ {bpy=2,2'-bipyridine, PBIP=2-(4-bromophenyl)imidazo[4,5-f]1,10-phenanthroline} have been synthesized and characterized. The systematic comparative studies between two enantiomers on their DNA binding-behaviors with calf thymus DNA (CT DNA) were carried out by viscosity measurements, spectrophotometric methods and molecular simulation technology. Additional assays were performed to explore the cytotoxicity of the ruthenium(II) enantiomers against tumor cell lines...
November 29, 2017: Journal of Inorganic Biochemistry
Wilson Ho, Kevin Chung, Andrew J Ingram, Robert M Waymouth
The palladium complex [(neocuproine)Pd(μ-OAc)]2[OTf]2 (1, neocuproine = 2,9-dimethyl-1,10-phenanthroline) is an effective catalyst precursor for the selective oxidation of primary and secondary alcohols, vicinal diols, polyols, and carbohydrates. Both air and benzoquinone can be used as terminal oxidants, but aerobic oxidations are accompanied by oxidative degradation of the neocuproine ligand, thus necessitating high Pd loadings. Several strategies to improve aerobic catalyst lifetimes were devised, guided by mechanistic studies of catalyst deactivation...
December 15, 2017: Journal of the American Chemical Society
Kun Yan, Yi Liu, Jitao Zhang, Santiago O Correa, Wu Shang, Cheng-Chieh Tsai, William E Bentley, Jana Shen, Giuliano Scarcelli, Christopher B Raub, Xiao-Wen Shi, Gregory F Payne
The growing importance of hydrogels in translational medicine has stimulated the development of top-down fabrication methods, yet often these methods lack the capabilities to generate the complex matrix architectures observed in biology. Here we show that temporally varying electrical signals can cue a self-assembling polysaccharide to controllably form a hydrogel with complex internal patterns. Evidence from theory and experiment indicate that internal structure emerges through a subtle interplay between: the electrical current which triggers self-assembly; and the electrical potential (or electric field) which recruits and appears to orient the polysaccharide chains at the growing gel front...
December 15, 2017: Biomacromolecules
Cintia G Cevallos, Leandro R Jones, Maria A Pando, Jean K Carr, Maria M Avila, Jorge Quarleri
Currently, data on HIV-1 circulating strains among men who have sex with men (MSM) in Argentina is scarce. In South America, the distribution and the prevalence of BF recombinants are dissimilar and exhibit an underappreciated heterogeneity of recombinant structures. Here, we studied for the first time the genetic diversity of HIV-1 BF recombinants and their evolution over time through in-depth phylogenetic analysis and multiple recombination detection methods involving 337 HIV-1 nucleotide sequences (25 near full-length (NFL) and 312 partial pol gene) obtained from Argentinean MSM...
2017: PloS One
Anna-Sigrid Keck, Stephanie Sloane, Janet M Liechty, Barbara H Fiese, Sharon M Donovan
Transdisciplinary (TD) approaches are increasingly used to address complex public health problems such as childhood obesity. Compared to traditional grant-funded scientific projects among established scientists, those designed around a TD, team-based approach yielded greater publication output after three to five years. However, little is known about how a TD focus throughout graduate school training may affect students' publication-related productivity, impact, and collaboration. The objective of this study was to compare the publication patterns of students in traditional versus TD doctoral training programs...
2017: PloS One
Victoire Bouveau, Damien Potage, Arnaud Dubory, Romain Chevallier, Jean-Paul Meningaud, Jérémy Niddam, Charles-Henri Flouzat-Lachaniette
CASE: We present a case of lower-limb trauma associated with an extensive soft-tissue defect around the knee joint, which led to the exposure of bone and the metalwork that was used for the management of the associated fractures. Coverage was performed with a distally based sartorius muscle flap in a single-stage procedure, allowing good recovery with a nice aesthetic and functional outcome at the 1-year follow-up. Additionally, we discuss alternative options for the coverage of severe soft-tissue defects based on the clinical context...
December 13, 2017: JBJS Case Connector
Julian Böhnke, Holger Braunschweig, J Oscar C Jiménez-Halla, Ivo Krummenacher, Tom E Stennett
The heteroarene 1,4-bis(CAAC)-1,4-diborabenzene (1; CAAC = cyclic (alkyl)(amino)carbene) reacts with [(MeCN)3M(CO)3] (M = Cr, Mo, W) to yield half-sandwich complexes of the form [(η6-diborabenzene)M(CO)3] (M = Cr (2), Mo (3), W (4)). Investigation of the new complexes with a combination of X-ray diffraction, spectroscopic methods and DFT calculations shows that ligand 1 is a remarkably strong electron donor. In particular, [(η6-arene)M(CO)3] complexes of this ligand display the lowest CO stretching frequencies yet observed for this class of complex...
December 15, 2017: Journal of the American Chemical Society
Rory Campbell, Sumit Konar, Steven Hunter, Colin Pulham, Peter Portius
The first two examples of the class of tetracoordinate low-valent, mixed-ligand tin azido complexes, Sn(N3)2(L)2, are shown to form upon reaction of SnCl2 with NaN3 and SnF2 with Me3SiN3 in either pyridine or 4-picoline (2, L = py; 3, L = pic). These adducts of Sn(N3)2 are shock- and friction-insensitive and stable at r.t. under an atmosphere of pyridine or picoline, respectively. A new, fast, and efficient method for the preparation of Sn(N3)2 (1) directly from SnF2, and by the stepwise de-coordination of py from 2 at r...
December 15, 2017: Inorganic Chemistry
Mhamad Aly Moussawi, Sébastien Floquet, Pavel A Abramov, Cristian Vicent, Mohamed Haouas, Emmanuel Cadot
Self-assembly reactions of Na2WO4, SeO2/SeO32-, and [Mo2O2(μ-S)2(H2O)6]2+ give, depending on the pH value, two new large polyoxometalate complexes: i.e., [(γ-Se2W14O52)3(Mo2O2(μ-S)2(H2O)2)6]24- (1) isolated at pH 3.5 and [(γ-Se2W14O52)4(WO3(H2O))8(W2O5)2(W4O12)2(Mo2O2(μ-S)2(H2O)2)4(Mo2O2(μ-S)2(SeO3))4]36- (2) isolated at pH 2. Both compounds were characterized in the solid state by single-crystal X-ray diffraction, EDX, elemental analysis, TGA, and FT-IR and in solution by ESI-MS and NMR.
December 15, 2017: Inorganic Chemistry
Patricia A Boyle, Lei Yu, Robert S Wilson, Sue E Leurgans, Julie A Schneider, David A Bennett
OBJECTIVE: Mixed neuropathologies are the most common cause of dementia at the population level, but how different neuropathologies contribute to cognitive decline at the individual level remains unknown. We quantified the contribution of nine neuropathologies to cognitive loss at an individual level. METHODS: Participants (n=1,079) came from 2 longitudinal clinical-pathologic studies of aging. All completed 2+ cognitive evaluations (maximum = 22), died and underwent neuropathologic examinations to identify Alzheimer's disease (AD), other neurodegenerative diseases, and vascular pathologies...
December 15, 2017: Annals of Neurology
Lucas Philippe, Jean-Jacques Vasseur, Françoise Debart, Carson C Thoreen
Cell growth is a complex process shaped by extensive and coordinated changes in gene expression. Among these is the tightly regulated translation of a family of growth-related mRNAs defined by a 5' terminal oligopyrimidine (TOP) motif. TOP mRNA translation is partly controlled via the eukaryotic initiation factor 4F (eIF4F), a translation factor that recognizes the mRNA 5' cap structure. Recent studies have also implicated La-related protein 1 (LARP1), which competes with eIF4F for binding to mRNA 5' ends. However, it has remained controversial whether LARP1 represses TOP mRNA translation directly and, if so, what features define its mRNA targets...
December 13, 2017: Nucleic Acids Research
Ashwini D Sharan, Jonathan Riley, Steven Falowski, Jason E Pope, Allison T Connolly, Edward Karst, Nirav Dalal, David A Provenzano
Study Design: Observational study using insurance claims. Objective: To quantify opioid usage leading up to spinal cord stimulation (SCS) and the potential impact on outcomes of SCS. Setting: SCS is an interventional therapy that often follows opioid usage in the care continuum for chronic pain. Methods: This study identified SCS patients using the Truven Health MarketScan databases from January 2010 to December 2014...
December 13, 2017: Pain Medicine: the Official Journal of the American Academy of Pain Medicine
Triniti L Scroggin, Gwendolyn A McMillin
In this study, a quantitative polarity switching liquid chromatography coupled with a tandem mass spectrometer (LC-MS/MS) method was developed to detect and quantify cocaine and metabolites (cocaethylene, benzoylecgonine and meta-hydroxybenzoylecgonine), phencyclidine (PCP) and barbiturates (phenobarbital and butalbital) in meconium. Accuracy and precision samples at 0.0125% and 75% of the upper limit of quantitation (ULOQ) were analyzed in triplicate over 5 days with accuracy above 84% and average %CV values below 11%...
December 13, 2017: Journal of Analytical Toxicology
Lauge Østergaard, Nana Valeur, Nikolaj Ihlemann, Henning Bundgaard, Gunnar Gislason, Christian Torp-Pedersen, Niels Eske Bruun, Lars Søndergaard, Lars Køber, Emil Loldrup Fosbøl
Aims: Patients with prior infective endocarditis (IE), a prosthetic heart valve, or a cyanotic congenital heart disease (CHD) are considered to be at high risk of IE by guidelines. However, knowledge is sparse on the relative risk of IE between these three groups and compared controls. Methods and results: Using Danish nationwide registries (1996-2015), we identified all patients with prior IE, a prosthetic heart valve, or a complex CHD (defined as tetralogy of Fallot, truncus arteriosus, and transposition of great arteries) as well as matched control populations...
December 12, 2017: European Heart Journal
Thomas De Cooman, Troels Wesenberg Kjær, Sabine Van Huffel, Helge Bjarup Dissing Sørensen
Automated seizure detection in a home environment has been of increased interest the last couple of decades. Heart rate-based seizure detection is a way to detect temporal lobe epilepsy seizures at home, but patient-independent algorithms showed to be insufficiently accurate due to the high patient-dependency of heart rate features. Therefore a real-time adaptive seizure detection algorithm is proposed here. The algorithm starts as a patient-independent algorithm, but gradually converges towards a patient-specific algorithm while more patient-specific data becomes available on-the-run...
December 15, 2017: Physiological Measurement
James Lara, Mahder Teka, Yury Khudyakov
BACKGROUND: Identification of acute or recent hepatitis C virus (HCV) infections is important for detecting outbreaks and devising timely public health interventions for interruption of transmission. Epidemiological investigations and chemistry-based laboratory tests are 2 main approaches that are available for identification of acute HCV infection. However, owing to complexity, both approaches are not efficient. Here, we describe a new sequence alignment-free method to discriminate between recent (R) and chronic (C) HCV infection using next-generation sequencing (NGS) data derived from the HCV hypervariable region 1 (HVR1)...
December 6, 2017: BMC Genomics
Genevieve K R Williams, Domenico Vicinanza
Many important notions in Life Sciences are linked with the idea of cycles, periodicity, fluctuations and transitions. The aim of this paper is to use spectral analysis in a unique way to study and quantify whole body coordination during gait. A participant walked at 3 km/h and ran at 15 km/h on a treadmill for 2 minutes. Position of the approximate center of rotation of the toe, ankle, knee, hip, shoulder, elbow and wrist, heel, PSIS and head were collected (CODAmotion; 100 Hz). Fast Fourier Transform was performed on x-coordinate data of the 1) knee marker; 2) 4 markers attached to the free lower limb (toe, ankle, heel and knee); 3) left and right free lower limbs; 4) whole body (all markers)...
December 15, 2017: Journal of Sports Sciences
Tetyana I Levchenko, Bryan E G Lucier, John F Corrigan, Yining Huang
Systematic 111Cd solid-state (SS) NMR experiments were performed to correlate X-ray crystallographic data with SSNMR parameters for a set of CdS-based materials, varying from molecular crystals of small complexes [Cd(SPh)4]2- and [Cd4(SPh)10]2- to superlattices of large monodisperse clusters [Cd54S32(SPh)48(dmf)4]4- and 1.9 nm CdS. Methodical data analysis allowed for assigning individual resonances or resonance groups to particular types of cadmium sites residing in different chemical and/or crystallographic environments...
December 15, 2017: Inorganic Chemistry
Mingjun Jing, Zhengu Chen, Zhi Li, Fangyi Li, Mengjie Chen, Minjie Zhou, Binhong He, Liang Chen, Zhaohui Hou, Xiaobo Chen
ZnS coated on N, S co-doped carbon (ZnS/NSC) composite has been prepared utilizing zinc pyrithione (C10H8N2O2S2Zn) as raw material via calcination. Through activation using Na2CO3 salt, ZnS nanoparticles encapsulated in NSC (denoted as A-ZnS/NSC) with mixed-crystal structure has also been obtained, which reveals much larger specific surface area and more bridges between ZnS and NSC. Based on the existence of bridges (C-S-Zn and S-O-Zn bonds) and the modification of carbon from N, S co-doping, the A-ZnS/NSC composite as an anode for sodium-ion batteries (SIBs) displays significantly enhanced electrochemical performances with a high reversible specific capacity of 516...
December 15, 2017: ACS Applied Materials & Interfaces
Rocio Marcos, Federica Bertini, Zilvinas Rinkevicius, Maurizio Peruzzini, Luca Gonsalvi, Mårten Ahlquist
We present a theoretical extension of the previously published bicarbonate hydrogenation to formate and formic acid dehydrogenation catalysed by Fe(II) complexes bearing the linear tetraphosphine ligand tetraphos-1 The hydrogenation reaction was found to proceed at the singlet surface with two competing pathways: A) H2 association to the Fe-H species followed by deprotonation to give a Fe(H)2 intermediate, which then reacts with CO2 to give formate. B) CO2 insertion into the Fe-H bond, followed by H2 association and subsequent deprotonation...
December 15, 2017: Chemistry: a European Journal
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