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substitution rate

Bryan W Heckman, K Michael Cummings, Georges J Nahas, Marc C Willemsen, Richard J O'Connor, Ron Borland, Alexander A Hirsch, Warren K Bickel, Matthew J Carpenter
Introduction: The demand for alternative nicotine/tobacco products is not well established. This paper uses a behavioral economic approach to test whether smokers have differential demand for conventional factory-made, electronic, and very low nicotine content cigarettes (FMCs/ECs/VLNCs) and uses the prospective cohort design to test the predictive validity of demand indices on subsequent use of commercially available FMCs and ECs. Methods: Daily smokers (>16 years) from the Netherlands completed an online survey in April 2014 (N=1215)...
March 14, 2018: Nicotine & Tobacco Research: Official Journal of the Society for Research on Nicotine and Tobacco
Chun-Yu Wang, Shuai Jiang, Yi-Rong Liu, Hui Wen, Zhongquan Wang, Ya-Juan Han, Teng Huang, Wei Huang
Ammonia and amines are important common trace atmospheric species that can enhance new particle formation (NPF) in the Earth's atmosphere. However, the synergistic effect of these two bases involving nucleation is still lacking. We studied the most stable geometric structures and thermodynamics of quaternary (NH3)(CH3NH2)(H2SO4)m(H2O)n (m = 1-3, n = 0-4) clusters at the PW91PW91/6-311++G(3df,3pd) level of theory for the first time. We find that the proton transfer from H2SO4 molecule to CH3NH2 molecule is easier than to NH3 molecule in the free or hydrated H2SO4-base clusters, and thus leads to the stability...
March 16, 2018: Journal of Physical Chemistry. A
Fei Li, Zhiguo Xia, Caofeng Pan, Yue Gong, Lin Gu, Quanlin Liu, Jin Z Zhang
The unification of tunable band edge (BE) emission and strong Mn2+ doping luminescence in all-inorganic cesium lead halide perovskite nanocrystals (NCs) CsPbX3 (X = Cl and Br) is of fundamental importance in fine tuning their optical properties. Herein, we demonstrate that, benefiting from the differentiation of the cation/anion exchange rate, ZnBr2 and preformed CsPb1-xCl3:xMn NCs can be used to obtain high Br content Cs(Pb1-x-zZnz)(ClyBr1-y)3:xMn2+ perovskite NCs with strong Mn2+ emission, and Mn2+ substitution ratio can reach about 22%...
March 16, 2018: ACS Applied Materials & Interfaces
Robin P Shook, Gregory A Hand, Daniel P O'Connor, Diana M Thomas, Thomas G Hurley, James R Hébert, Clemens Drenowatz, Gregory J Welk, Alicia L Carriquiry, Steven N Blair
Background: Assessments of energy intake (EI) are frequently affected by measurement error. Recently, a simple equation was developed and validated to estimate EI on the basis of the energy balance equation [EI = changed body energy stores + energy expenditure (EE)]. Objective: The purpose of this study was to compare multiple estimates of EI, including 2 calculated from the energy balance equation by using doubly labeled water (DLW) or activity monitors, in free-living adults...
March 1, 2018: Journal of Nutrition
Nisar Ahmed, Adeel Riaz, Zahra Zubair, Muhammad Saqib, Sehrish Ijaz, Muhammad Shah Nawaz-Ul-Rehman, Ahmed Al-Qahtani, Muhammad Mubin
BACKGROUND: The infection in dogs due to canine parvovirus (CPV), is a highly contagious one with high mortality rate. The present study was undertaken for a detailed genetic analysis of partial VP2 gene i.e., 630 bp isolated from rectal swab samples of infected domestic and stray dogs from all areas of district Faisalabad. Monitoring of viruses is important, as continuous prevalence of viral infection might be associated with emergence of new virulent strains. METHODS: In the present study, 40 rectal swab samples were collected from diarrheic dogs from different areas of district Faisalabad, Pakistan, in 2014-15 and screened for the presence of CPV by immunochromatography...
March 15, 2018: Virology Journal
Michael M Linden, J Philipp Wagner, Bastian Bernhardt, Marcus A Bartlett, Wesley D Allen, Peter R Schreiner
Disentangling internal and external effects is a key requirement for understanding conformational tunneling processes. Here we report the s-trans/s-cis tunneling rotamerization of carbonic acid monomethyl ester (1) under matrix isolation conditions and make comparisons to its parent carbonic acid (3). The observed tunneling rate of 1 is temperature independent in the 3-20 K range and accelerates when using argon instead of neon as the matrix material. The methyl group increases the effective half-life (τeff) of the energetically disfavored s-trans-conformer from 3-5 h for 3 to 11-13 h for 1...
March 15, 2018: Journal of Physical Chemistry Letters
S Thiyagarajan, V Edwin Geo, Leenus Jesu Martin, B Nagalingam
This experimental study aims to mitigate harmful emissions from a CI engine using bio-energy with carbon capture and storage (BECCS) approach. The engine used for this experimental work is a single cylinder CI engine with a rated power of 5.2 kW at a constant speed of 1500 rpm. The BECCS approach is a combination of plant-based biofuels and carbon capture and storage system. The whole investigation was done in four phases: (1) Substituting diesel with Karanja oil methyl ester (KOME) (2) Equal volume blending of Orange oil (ORG) with KOME (3) 20% blending of n-butanol (B) with KOME-ORG blend (4) Carbon capture and storage (CCS) system with zeolite based non-selective catalytic reduction (NSCR) and mono ethanolamine (MEA) based selective non-catalytic reduction (SNCR) system with KOME-ORG + B20 blend...
March 15, 2018: Environmental Technology
Jan Paulo T Zaragoza, Maxime A Siegler, David P Goldberg
High-valent metal-hydroxide species are invoked as critical intermediates in both catalytic, metal-mediated O2 activation (e.g., by Fe porphyrin in Cytochrome P450) and O2 production (e.g., by the Mn cluster in Photosystem II). However, well-characterized mononuclear MIV (OH) complexes remain a rarity. Herein we describe the synthesis of MnIV (OH)(ttppc) (3) (ttppc = tris(2,4,6-triphenylphenyl) corrole), which has been characterized by X-ray diffraction (XRD). The large steric encumbrance of the ttppc ligand allowed for isolation of 3...
March 15, 2018: Journal of the American Chemical Society
Thomas O Tolsma, Lena M Cuevas, Santiago M Di Pietro
Clathrin mediated endocytosis is a fundamental transport pathway that depends on numerous protein-protein interactions. Testing the importance of the adaptor protein-clathrin interaction for coat formation and progression of endocytosis in vivo has been difficult due to experimental constrains. Here we addressed this question using the yeast clathrin adaptor Sla1, which is unique in showing a cargo endocytosis defect upon substitution of three amino acids in its clathrin-binding motif (sla1AAA ) that disrupt clathrin binding...
March 15, 2018: Traffic
Cody Caba, Hyder Ali Khan, Janeen Auld, Ryo Ushioda, Kazutaka Araki, Kazuhiro Nagata, Bulent Mutus
Despite its study since the 1960's, very little is known about the post-translational regulation of the multiple catalytic activities performed by protein disulfide isomerase (PDI), the primary protein folding catalyst of the cell. This work identifies a functional role for the highly conserved CxxC-flanking residues Lys57 and Lys401 of human PDI in vitro . Mutagenesis studies have revealed these residues as modulating the oxidoreductase activity of PDI in a pH-dependent manner. Non-conservative amino acid substitutions resulted in enzyme variants upwards of 7-fold less efficient...
2018: Frontiers in Molecular Biosciences
Katarina Bojanić, Ruža Grizelj, Jurica Vuković, Lana Omerza, Marina Grubić, Tomislav Ćaleta, Toby N Weingarten, Darrell R Schroeder, Juraj Sprung
BACKGROUND: Patients with congenital diaphragmatic hernia (CDH) have a high residual morbidity rate. We compared self-reported health-related quality of life (HRQoL) between patients with CDH and healthy children. METHODS: Forty-five patients with CDH who were born from January 1, 1990, through February 15, 2015, were matched to healthy, age-matched control participants at a 1:2 ratio. The health records of the study participants were reviewed to determine comorbid conditions, and HRQoL was assessed by both the participants and their parents with the Pediatric Quality of Life Inventory (PedsQL)...
March 14, 2018: Health and Quality of Life Outcomes
J von Felden, J Vermehren, P Ingiliz, S Mauss, T Lutz, K G Simon, H W Busch, A Baumgarten, K Schewe, D Hueppe, C Boesecke, J K Rockstroh, M Daeumer, N Luebke, J Timm, J Schulze Zur Wiesch, C Sarrazin, S Christensen
BACKGROUND: Twelve weeks of the pangenotypic direct-acting antiviral (DAA) combination sofosbuvir/velpatasvir (SOF/VEL) was highly efficient in patients with hepatitis C virus (HCV) genotype 3 (GT3) infection in the ASTRAL-3 approval study. However, presence of resistance-associated substitutions (RASs) in the HCV nonstructural protein 5A (NS5A) was associated with lower treatment response. AIM: To assess the efficacy and safety of SOF/VEL ± ribavirin (RBV) and the impact of NS5A RASs and RBV use on treatment outcome in HCV GT3 infection in a real-world setting...
March 14, 2018: Alimentary Pharmacology & Therapeutics
Konrad Skotnicki, Julio Ramón De la Fuente, Alvaro Cañete, Eduardo Berrios, Krzysztof Bobrowski
The absorption-spectral and kinetic behavior of radical ions and neutral hydrogenated radicals of seven 3-styryl-quinoxalin-2(1 H)-one (3-SQ) derivatives, one without substituents in styryl moiety, four others with electron donating (R = -CH3 , -OCH3 , -N(CH3 )2) or electron withdrawing (R = -OCF3 ) substituents in para-position in benzene ring, and remaining two with double methoxy substituents (-OCH3 ), however, at different position (meta/para and ortho/meta) have been studied by UV-vis spectrophotometric pulse radiolysis in a neat acetonitrile saturated with argon (Ar) and oxygen (O2 ) and in 2-propanol saturated with Ar, at room temperature...
March 13, 2018: Journal of Physical Chemistry. B
Lisa D DiMartino, Sarah A Birken, Laura C Hanson, Justin G Trogdon, Alecia S Clary, Morris Weinberger, Katherine Reeder-Hayes, Bryan J Weiner
BACKGROUND: The implementation science literature has contributed important insights regarding the influence of formal policies and practices on health care innovation implementation, whereas informal implementation policies and practices have garnered little attention. The broader literature suggests that informal implementation policies and practices could also influence innovation use. PURPOSE: We used the Organizational Theory of Innovation Implementation to further understand the role of formal and informal implementation policies and practices as determinants of implementation effectiveness...
March 12, 2018: Health Care Management Review
Michael Song, Li-Yaung Kuo, Layne Huiet, Kathleen M Pryer, Carl J Rothfels, Fay-Wei Li
PREMISE OF THE STUDY: Gene space in plant plastid genomes is well characterized and annotated, yet we discovered an unrecognized open reading frame (ORF) in the fern lineage that is conserved across flagellate plants. METHODS: We initially detected a putative uncharacterized ORF by the existence of a highly conserved region between rps16 and matK in a series of matK alignments of leptosporangiate ferns. We mined available plastid genomes for this ORF, which we now refer to as ycf94, to infer evolutionary selection pressures and assist in functional prediction...
January 2018: American Journal of Botany
Brad Wright, Xuan Zhang, Momotazur Rahman, Keith Kocher
STUDY OBJECTIVE: Outpatient observation stays are increasingly substituting for standard inpatient hospitalizations. In 2013, the Centers for Medicare & Medicaid Services adopted the controversial Two-Midnight Rule policy to curb long observation stays and better define the use of hospital-based observation services versus inpatient hospitalizations. We seek to determine the extent to which Medicare beneficiaries exposed to long observation stays (>48 hours) are clinically similar to those with short observation stays (≤48 hours) because this has relevance to the Two-Midnight Rule...
March 9, 2018: Annals of Emergency Medicine
Haotian Lei, Bruce E Bowler
Structural studies of yeast iso-1-cytochrome c (L.J. McClelland, T.-C. Mou, M.E. Jeakins-Cooley, S.R. Sprang, B.E. Bowler, Proc. Natl. Acad. Sci. U.S.A. 111 (2014) 6648-6653) show that modest movement of Ω-loop D (residues 70-85, average RMSD versus the native structure: 0.81 Å) permits loss of Met80-heme ligation creating an available coordination site to catalyze the peroxidase activity mediated by cytochrome c early in apoptosis. However, Ala81 and Gly83 move significantly (RMSDs of 2.18 and 1.26 Å, respectively)...
February 27, 2018: Journal of Inorganic Biochemistry
Na Tian, Limin Han, Chen Chen, Zhezhi Wang
Epipremnum aureum is an important foliage plant in the Araceae family. In this study, we have sequenced the complete chloroplast genome of E. aureum by using Illumina Hiseq sequencing platforms. This genome is a double-stranded circular DNA sequence of 164,831 bp that contains 35.8% GC. The two inverted repeats (IRa and IRb; 26,606 bp) are spaced by a small single-copy region (22,868 bp) and a large single-copy region (88,751 bp). The chloroplast genome has 131 (113 unique) functional genes, including 86 (79 unique) protein-coding genes, 37 (30 unique) tRNA genes, and eight (four unique) rRNA genes...
2018: PloS One
Jelena Purić, Gabrielle Vieira, Lúcia Bonci Cavalca, Lara Durães Sette, Henrique Ferreira, Maria Lúcia Carneiro Vieira, Daiane Cristina Sass
This study aims to obtain secondary metabolites extracts from filamentous fungi isolated from soil and marine sediments from Antarctic ecosystems and assess its potential antibacterial activity on Xanthomonas euvesicatoria and Xanthomonas axonopodis pv. passiflorae (phytopathogenic bacteria causing diseases in pepper and tomato, and passionfruit, respectively). Among the 66 crude intracellular and extracellular extracts obtained from fungi recovered from soil and 79 obtained from marine sediment samples, 25 showed the ability to prevent the growth of X...
March 12, 2018: Letters in Applied Microbiology
Patricia S Mann-Poll, Annet Smit, Eric O Noorthoorn, Wim A Janssen, Bauke Koekkoek, Giel J M Hutschemaekers
International comparative studies show that Dutch seclusion rates are relatively high. Therefore, several programs to change this practice were developed and implemented. The purpose of this study was to examine the impact of a seclusion reduction program over a long time frame, from 2004 until 2013. Three phases could be identified; the phase of development and implementation of the program (2004-2007), the project phase (2008-2010) and the consolidation phase (2011-2013). Five inpatient wards of a mental health institute were monitored...
March 12, 2018: Psychiatric Quarterly
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