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https://www.readbyqxmd.com/read/29457865/nucleophilic-substitution-in-solution-activation-strain-analysis-of-weak-and-strong-solvent-effects
#1
Trevor A Hamlin, Bas van Beek, Lando P Wolters, F Matthias Bickelhaupt
We have quantum chemically studied the effect of various polar and apolar solvents on the shape of the potential energy surface (PES) of a diverse collection of archetypal nucleophilic substitution reactions at carbon, silicon, phosphorus, and arsenic using density functional theory at OLYP/TZ2P. In the gas phase, all our model SN2 reactions have single-well PESs, except for SN2@C which has a double-well energy profile. The presence of the solvent can have a significant effect on the shape of the PES and thus on the nature of the SN2 process...
February 19, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29457564/investigating-speech-recognition-and-listening-effort-with-different-device-configurations-in-adult-cochlear-implant-users
#2
Douglas P Sladen, Yingjiu Nie, Katelyn Berg
OBJECTIVES: The purpose of this study was to investigate speech recognition in noise and listening effort among a group of adults with cochlear implants (CIs). Two main research questions were addressed. First, what are the effects of omni versus directional microphone configuration on speech recognition and listening effort for noisy conditions? Second, what is the effect of unilateral versus bimodal or bilateral CI listening on speech recognition and listening effort in noisy conditions? DESIGN: Sixteen adults (mean age 58 years) with CIs participated...
May 2018: Cochlear Implants International
https://www.readbyqxmd.com/read/29452713/physiochemical-characteristics-of-aerosol-particles-collected-from-the-jokhang-temple-indoors-and-the-implication-to-human-exposure
#3
Lulu Cui, Bu Duo, Fei Zhang, Chunlin Li, Hongbo Fu, Jianmin Chen
This paper presents a detailed study on the indoor air pollution in the Jokahng Temple at Tibet Plateau, and its implication to human health. The mean concentrations of PM 1.0 and PM 2.5 were 435.0 ± 309.5 and 483.0 ± 284.9 μg/m 3 , respectively. The PM 2.5 concentration exceeded the National Ambient Air Quality Standard (75 μg/m 3 ) by 6.4 times. The size-segregated aerosols displayed a bimodal distribution. One peak was observed in the fine mode (0.4-2.1 μm) and the other peak appeared in the coarse mode (2...
February 13, 2018: Environmental Pollution
https://www.readbyqxmd.com/read/29451717/modeling-of-cytometry-data-in-logarithmic-space-when-is-a-bimodal-distribution-not-bimodal
#4
Amir Erez, Robert Vogel, Andrew Mugler, Andrew Belmonte, Grégoire Altan-Bonnet
Recent efforts in systems immunology lead researchers to build quantitative models of cell activation and differentiation. One goal is to account for the distributions of proteins from single-cell measurements by flow cytometry or mass cytometry as readout of biological regulation. In that context, large cell-to-cell variability is often observed in biological quantities. We show here that these readouts, viewed in logarithmic scale may result in two easily-distinguishable modes, while the underlying distribution (in linear scale) is unimodal...
February 16, 2018: Cytometry. Part A: the Journal of the International Society for Analytical Cytology
https://www.readbyqxmd.com/read/29451340/therapeutic-neural-stem-cells-engineered-during-different-stages-of-reprogramming-reveal-varying-therapeutic-efficacies
#5
Deepak Bhere, Rajiv Kumar Khajuria, William T Hendriks, Antara Bandyopadhyay, Tugba Bagci-Onder, Khalid Shah
Stem cells are emerging as promising treatment strategies for several brain disorders and pathologies including brain tumors. In this study, we explored the potential of creating induced pluripotent stem cell (iPSC) derived therapeutic NSCs (ipNSC) by using either unmodified or gene-modified somatic cells and tested their fate and therapeutic efficacies in vitro and in vivo. We show that cells engineered in somatic state lose transgene-expression during the neural induction process, which is partially restored by HDAC inhibitor (i) treatment whereas cells engineered at the ipNSC state have sustained expression of transgenes...
February 16, 2018: Stem Cells
https://www.readbyqxmd.com/read/29451107/bilaterally-combined-electric-and-acoustic-hearing-in-mandarin-speaking-listeners-the-population-with-poor-residual-hearing
#6
Duo-Duo Tao, Ji-Sheng Liu, Zhen-Dong Yang, Blake S Wilson, Ning Zhou
The hearing loss criterion for cochlear implant candidacy in mainland China is extremely stringent (bilateral severe to profound hearing loss), resulting in few patients with substantial residual hearing in the nonimplanted ear. The main objective of the current study was to examine the benefit of bimodal hearing in typical Mandarin-speaking implant users who have poorer residual hearing in the nonimplanted ear relative to those used in the English-speaking studies. Seventeen Mandarin-speaking bimodal users with pure-tone averages of ∼80 dB HL participated in the study...
January 2018: Trends in Hearing
https://www.readbyqxmd.com/read/29449902/sers-fluorescence-bimodal-nanoprobes-for-in-vitro-imaging-of-fatty-acid-responsive-receptor-gpr120
#7
Lifu Xiao, Abdul K Parchur, Timothy A Gilbertson, Anhong Zhou
G-protein-coupled receptor 120 (GPR120), as a member of the rhodopsin family of G-protein-coupled receptors, has been shown to function as a sensor for dietary fat in the gustatory and digestive systems. Its specific role in the chemoreception of fatty acids, which is thought to be crucial in understanding the mechanism surrounding the control of fat intake and, accordingly, in the treatment of obesity, remains unclear. Here we report a novel surface-enhanced Raman spectroscopy (SERS)-fluorescence bimodal microscopic technique for detection and imaging of GPR120 in single living cells...
2018: Analytical Methods: Advancing Methods and Applications
https://www.readbyqxmd.com/read/29449447/tracers-for-fluorescence-guided-surgery-how-elongation-of-the-polymethine-chain-in-cyanine-dyes-alters-the-pharmacokinetics-of-a-bimodal-c-rgdyk-tracer
#8
Tessa Buckle, Danny M van Willigen, Silvia J Spa, Albertus W Hensbergen, Steffen van der Wal, Clarize M de Korne, Mick M Welling, Henk G van der Poel, James C H Hardwick, Fijs W B van Leeuwen
Objectives: The potential of (receptor-mediated) fluorescence-based image-guided surgery tracers is generally linked to the near-infrared emission profile and good manufacturing production (GMP) availability of fluorescent dyes. Surprisingly, little is known about the critical interaction between the structural composition of the dye and the pharmacokinetics of the tracers. In this study, a bimodal/hybrid tracer design was used to systematically and quantitatively evaluate the influence of elongation of the polymethine chain in a fluorescent cyanine (Cy) dye on the imaging potential of a targeted (RGD-based) tracer...
February 15, 2018: Journal of Nuclear Medicine: Official Publication, Society of Nuclear Medicine
https://www.readbyqxmd.com/read/29448426/gross-domestic-product-growth-rates-as-confined-l%C3%A3-vy-flights-towards-a-unifying-theory-of-economic-growth-rate-fluctuations
#9
Sandro Claudio Lera, Didier Sornette
A model that combines economic growth rate fluctuations at the microscopic and macroscopic levels is presented. At the microscopic level, firms are growing at different rates while also being exposed to idiosyncratic shocks at the firm and sector levels. We describe such fluctuations as independent Lévy-stable fluctuations, varying over multiple orders of magnitude. These fluctuations are aggregated and measured at the macroscopic level in averaged economic output quantities such as GDP. A fundamental question is thereby to what extent individual firm size fluctuations can have a noticeable impact on the overall economy...
January 2018: Physical Review. E
https://www.readbyqxmd.com/read/29448337/accurate-analytic-solution-of-chemical-master-equations-for-gene-regulation-networks-in-a-single-cell
#10
Guan-Rong Huang, David B Saakian, Chin-Kun Hu
Studying gene regulation networks in a single cell is an important, interesting, and hot research topic of molecular biology. Such process can be described by chemical master equations (CMEs). We propose a Hamilton-Jacobi equation method with finite-size corrections to solve such CMEs accurately at the intermediate region of switching, where switching rate is comparable to fast protein production rate. We applied this approach to a model of self-regulating proteins [H. Ge et al., Phys. Rev. Lett. 114, 078101 (2015)PRLTAO0031-900710...
January 2018: Physical Review. E
https://www.readbyqxmd.com/read/29448335/zealots-in-the-mean-field-noisy-voter-model
#11
Nagi Khalil, Maxi San Miguel, Raul Toral
The influence of zealots on the noisy voter model is studied theoretically and numerically at the mean-field level. The noisy voter model is a modification of the voter model that includes a second mechanism for transitions between states: Apart from the original herding processes, voters may change their states because of an intrinsic noisy-in-origin source. By increasing the importance of the noise with respect to the herding, the system exhibits a finite-size phase transition from a quasiconsensus state, where most of the voters share the same opinion, to one with coexistence...
January 2018: Physical Review. E
https://www.readbyqxmd.com/read/29446927/gasoline-particulate-filters-as-an-effective-tool-to-reduce-particulate-and-pah-emissions-from-gdi-vehicles-a-case-study-with-two-gdi-vehicles
#12
Jiacheng Yang, Patrick Roth, Thomas D Durbin, Kent C Johnson, David R Cocker, Akua Asa-Awuku, Rasto Brezny, Michael Geller, Georgios Karavalakis
We assessed the gaseous, particulate, and genotoxic pollutants from two current technology gasoline direct injection vehicles when tested in their original configuration and with a catalyzed gasoline particulate filter (GPF). Testing was conducted over the LA92 and US06 Supplemental Federal Test Procedure (US06) driving cycles on typical California E10 fuel. The use of a GPF did not show any fuel economy and carbon dioxide (CO2) emission penalties, while the emissions of total hydrocarbons (THC), carbon monoxide (CO), and nitrogen oxides (NOx) were generally reduced...
February 15, 2018: Environmental Science & Technology
https://www.readbyqxmd.com/read/29444670/breast-cancer-in-ethiopia-evidence-for-geographic-difference-in-the-distribution-of-molecular-subtypes-in-africa
#13
Endale Hadgu, Daniel Seifu, Wondemagegnhu Tigneh, Yonas Bokretsion, Abebe Bekele, Markos Abebe, Thomas Sollie, Sofia D Merajver, Christina Karlsson, Mats G Karlsson
BACKGROUND: Breast cancer is a heterogeneous disease with several morphological and molecular subtypes. Widely accepted molecular classification system uses assessment of estrogen receptor (ER), progesterone receptor (PR), human epidermal growth factor receptor 2 (HER2) and proliferation marker Ki67. Few studies have been conducted on the incidence and molecular types of breast cancer in Sub-Saharan Africa. Previous studies mainly from Western and Central Africa, showed breast cancer to occur at younger ages and to present with aggressive features, such as high-grade, advanced stage and triple-negative phenotype (negative for ER, PR and HER2)...
February 14, 2018: BMC Women's Health
https://www.readbyqxmd.com/read/29442629/phase-competition-induced-bio-electrochemical-resistance-and-bio-compatibility-effect-in-nanocrystalline-zr-x-cu-100-x-thin-films
#14
Geetha Priyadarshini Badhirappan, Vignesh Nallasivam, Madhuri Varadarajan, Vasantha Priya Leobeemrao, Sivakumar Bose, Elakkiya Venugopal, Selvakumar Rajendran, Peter Chrysologue Angleo
Nano-crystalline Zrx-Cu100-x (x = 20-100 at.%) thin films with thickness ranging from 50 to 185 nm were deposited by magnetron co-sputtering with individual Zr and Cu targets. The as-sputtered thin films were characterized by Field Emission Scanning Electron Microscope (FE-SEM), Atomic Force Microscopy (AFM) and Glancing Incidence X-ray Diffraction (GIXRD) for structural and morphological properties. The crystallite size was found to decrease from 57 nm to 37 nm upon increasing the Zr content from 20 to 30 at...
July 1, 2018: Journal of Nanoscience and Nanotechnology
https://www.readbyqxmd.com/read/29441835/current-profile-of-adults-presenting-for-preoperative-cochlear-implant-evaluation
#15
Jourdan T Holder, Susan M Reynolds, Linsey W Sunderhaus, René H Gifford
Considerable advancements in cochlear implant technology (e.g., electric acoustic stimulation) and assessment materials have yielded expanded criteria. Despite this, it is unclear whether individuals with better audiometric thresholds and speech understanding are being referred for cochlear implant workup and pursuing cochlear implantation. The purpose of this study was to characterize the mean auditory and demographic profile of adults presenting for preoperative cochlear implant workup. Data were collected prospectively for all adult preoperative workups at Vanderbilt from 2013 to 2015...
January 2018: Trends in Hearing
https://www.readbyqxmd.com/read/29436031/a-magnetofluorescent-carbon-dot-assembly-as-an-acidic-h-2-o-2-driven-oxygenerator-to-regulate-tumor-hypoxia-for-simultaneous-bimodal-imaging-and-enhanced-photodynamic-therapy
#16
Qingyan Jia, Jiechao Ge, Weimin Liu, Xiuli Zheng, Shiqing Chen, Yongmei Wen, Hongyan Zhang, Pengfei Wang
Recent studies indicate that carbon dots (CDs) can efficiently generate singlet oxygen (1 O2 ) for photodynamic therapy (PDT) of cancer. However, the hypoxic tumor microenvironment and rapid consumption of oxygen in the PDT process will severely limit therapeutic effects of CDs due to the oxygen-dependent PDT. Thus, it is becoming particularly important to develop a novel CD as an in situ tumor oxygenerator for overcoming hypoxia and substantially enhancing the PDT efficacy. Herein, for the first time, magnetofluorescent Mn-CDs are successfully prepared using manganese(II) phthalocyanine as a precursor...
February 13, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29426183/sediment-grain-size-characteristics-and-relevant-correlations-to-the-aeolian-environment-in-china-s-eastern-desert-region
#17
Chunlai Zhang, Yaping Shen, Qing Li, Wenru Jia, Jiao Li, Xuesong Wang
To identify characteristics of aeolian activity and the aeolian environment in China's eastern desert region, this study collected surface sediment samples from the main desert and sandy lands in this region: the Hobq Desert and the Mu Us, Otindag, Horqin, and Hulunbuir sandy lands. We analyzed the grain-size characteristics and their relationships to three key environmental indicators: drift potential, the dune mobility index, and vegetation cover. The main sediment components are fine to medium sands, with poor (Hulunbuir) to moderate (all other areas) sorting, of unimodal to bimodal distribution...
January 30, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29425846/a-human-endogenous-protein-exerts-multi-role-biomimetic-chemistry-in-synthesis-of-paramagnetic-gold-nanostructures-for-tumor-bimodal-imaging
#18
Weitao Yang, Xiaoli Wu, Yan Dou, Jin Chang, Chenyang Xiang, Jiani Yu, Jun Wang, Xiuli Wang, Bingbo Zhang
Protein-mediated biomimetic nanoparticles because of simplicity of their synthesis, subdued nonspecific adsorption, improved pharmacokinetics, and biocompatibility have been receiving increasing attention recently. Nevertheless, only a handful of proteins have been developed for biomimetic synthesis. Worse still, most of them are constrained on single-function usages in chemistry. Exploring new functional proteins, especially those with multi-dentate moieties for multi-role biomimetic chemistry, still remains a substantial challenge...
February 3, 2018: Biomaterials
https://www.readbyqxmd.com/read/29425765/compressibility-and-tablet-forming-ability-of-bimodal-granule-mixtures-experiments-and-dem-simulations
#19
Josefina Nordström, Göran Alderborn, Göran Frenning
Compressibility and tablet forming ability (compactibility) of bimodal mixtures of differently sized granules formed from microcrystalline cellulose were studied experimentally and numerically with the discrete element method (DEM). Compression data was analysed using the Kawakita equation. A multi-body contact law that accounts for contact dependence resulting from plastic incompressibility/geometric hardening was used in the DEM simulations. The experimental Kawakita a and 1/b parameters both depended non-monotonically on composition (weight fraction of large particles)...
February 6, 2018: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/29422417/characterization-of-van-der-waals-type-bimodal-lambda-meta-and-spinodal-phase-transitions-in-liquid-mixtures-solid-suspensions-and-thin-films
#20
REVIEW
Jarl B Rosenholm
The perfect gas law is used as a reference when selecting state variables (P, V, T, n) needed to characterize ideal gases (vapors), liquids and solids. Van der Waals equation of state is used as a reference for models characterizing interactions in liquids, solids and their mixtures. Van der Waals loop introduces meta- and unstable states between the observed gas (vapor)-liquid P-V transitions at low T. These intermediate states are shown to appear also between liquid-liquid, liquid-solid and solid-solid phase transitions...
February 5, 2018: Advances in Colloid and Interface Science
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