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https://www.readbyqxmd.com/read/28535462/pharmaceutical-substances-in-ambient-particulates-a-preliminary-assessment
#1
Angelo Cecinato, Paola Romagnoli, Mattia Perilli, Catia Balducci
Till now, no attention has been paid to pharmaceuticals (PCs) in the air, though they are known to affect waters, soils, foods and biota. This paper describes the first attempt to characterize the PC occurrence in the air. Airborne particulates (PM10 or PM2.5 fractions, from Amsterdam, Netherland, Rome and Rende, Italy) were sampled on quartz fiber filter by means of pumping systems operating at medium-volume conditions (16 or 38.5 L min(-1)). The samples were solvent extracted through sonication with a dichloromethane:acetone:methanol mixture and reduced close to dryness; three fractions of the residue were separated through column chromatography; they comprised non polar, low polar and very polar organic compounds, respectively, and PCs were in the third one...
May 18, 2017: Chemosphere
https://www.readbyqxmd.com/read/28535459/spectra-structure-correlations-of-saturated-and-unsaturated-medium-chain-fatty-acids-near-infrared-and-anharmonic-dft-study-of-hexanoic-acid-and-sorbic-acid
#2
Justyna Grabska, Krzysztof B Beć, Mika Ishigaki, Marek J Wójcik, Yukihiro Ozaki
Quantum chemical reproduction of entire NIR spectra is a new trend, enabled by contemporary advances in the anharmonic approaches. At the same time, recent increase of the importance of NIR spectroscopy of biological samples raises high demand for gaining deeper understanding of NIR spectra of biomolecules, i.e. fatty acids. In this work we investigate saturated and unsaturated medium-chain fatty acids, hexanoic acid and sorbic acid, in the near-infrared region. By employing fully anharmonic density functional theory (DFT) calculations we reproduce the experimental NIR spectra of these systems, including the highly specific spectral features corresponding to the dimerization of fatty acids...
May 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28535368/unfolding-the-folding-problem-of-the-cerebral-cortex-movin-and-groovin
#3
Yasuhiro Itoh, Alexandros Poulopoulos, Jeffrey D Macklis
The development of reproducible folding in the gyrencephalic cerebral cortex is a topic of great interest to neuroscientists. In a recent paper in Cell, del Toro et al. (2017) show that changing the adhesive properties of neurons in the normally lissencephalic mouse cortex leads to the formation of stereotyped folding.
May 22, 2017: Developmental Cell
https://www.readbyqxmd.com/read/28535308/invited-commentary-the-contribution-to-the-field-of-nutritional-epidemiology-of-the-landmark-1985-publication-by-willett-et-al
#4
Amy F Subar, Lawrence H Kushi, Jennifer L Lerman, Laurence S Freedman
The semiquantitative food frequency questionnaire (FFQ) has been the primary source of dietary exposure data in epidemiology for decades. Although frequency instruments had been evaluated before the 1985 publication "Reproducibility and Validity of a Semiquantitative Food Frequency Questionnaire" by Willett et al. (Am J Epidemiol. 1985;122(1):51-65), that paper was the prototype for the development and validation of what was then a highly innovative method for collecting dietary data. This approach was adopted in nearly all subsequent cohort studies of diet and disease...
May 23, 2017: American Journal of Epidemiology
https://www.readbyqxmd.com/read/28535146/role-of-spatial-inhomogenity-in-gpcr-dimerisation-predicted-by-receptor-association-diffusion-models
#5
Sneha A Deshpande, Aiswarya B Pawar, Anish Dighe, Chaitanya A Athale, Durba Sengupta
G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution...
May 23, 2017: Physical Biology
https://www.readbyqxmd.com/read/28535111/relative-validity-and-reproducibility-of-an-interviewer-administered-14-item-ffq-to-estimate-flavonoid-intake-among-older-adults-with-mild-moderate-dementia
#6
Katherine Kent, Karen Charlton
There is a large burden on researchers and participants when attempting to accurately measure dietary flavonoid intake using dietary assessment. Minimizing participant and researcher burden when collecting dietary data may improve the validity of the results, especially in older adults with cognitive impairment. A short 14-item food frequency questionnaire (FFQ) to measure flavonoid intake, and flavonoid subclasses (anthocyanins, flavan-3-ols, flavones, flavonols, and flavanones) was developed and assessed for validity and reproducibility against a 24-hour recall...
May 23, 2017: Journal of Nutrition in Gerontology and Geriatrics
https://www.readbyqxmd.com/read/28535085/characterization-of-an-encapsulated-insulin-secreting-human-pancreatic-beta-cell-line-in-a-modular-microfluidic-device
#7
Argia Acarregui, Jesús Ciriza, Laura Saenz Del Burgo, Haritz Gurruchaga, José Yeste, Xavier Illa, Gorka Orive, Rosa M Hernández, Rosa Villa, Jose Luis Pedraz
Type I diabetes mellitus is characterized by the destruction of the insulin producing beta cells within the pancreas by the immune system. After the success of Edmonton protocol, islet transplantation has shown to be a promising therapy, but with the Achilles´ heel of the need of using immunosuppressive drugs. Currently, cell encapsulation technology represents a real alternative to protect transplanted islets from the host´s immune attack. Although preliminary in vitro studies with encapsulated cells have been traditionally performed under static conditions in terms of viability and efficiency, these static cultures do not represent a close approach to in vivo environments...
May 23, 2017: Journal of Drug Targeting
https://www.readbyqxmd.com/read/28535001/standardization-of-a375-human-melanoma-models-on-chicken-embryo-chorioallantoic-membrane-and-balb-c-nude-mice
#8
Stefana Avram, Dorina-Elena Coricovac, Ioana Zinuca Pavel, Iulia Pinzaru, Roxana Ghiulai, Flavia Baderca, Codruta Soica, Danina Muntean, Daciana E Branisteanu, Demetrios A Spandidos, Aristides M Tsatsakis, Cristina Adriana Dehelean
Cutaneous melanoma is a metastatic disease characterized by high resistance to treatment, the incidence of which has alarmingly increased worldwide over the past years. A thorough characterization of tumor onset, progression and metastasis is compulsory to overcome the gaps existent in melanoma biology. The present study suggests a well‑established protocol and a detailed histological description of human melanoma models in ovo and in vivo obtained by the inoculation of A375 cells to chick embryo chorioallantoic membrane (CAM) and Balb/c nude mice...
May 22, 2017: Oncology Reports
https://www.readbyqxmd.com/read/28534867/unique-identifiers-for-small-molecules-enable-rigorous-labeling-of-their-atoms
#9
Hesam Dashti, William M Westler, John L Markley, Hamid R Eghbalnia
Rigorous characterization of small organic molecules in terms of their structural and biological properties is vital to biomedical research. The three-dimensional structure of a molecule, its 'photo ID', is inefficient for searching and matching tasks. Instead, identifiers play a key role in accessing compound data. Unique and reproducible molecule and atom identifiers are required to ensure the correct cross-referencing of properties associated with compounds archived in databases. The best approach to this requirement is the International Chemical Identifier (InChI)...
May 23, 2017: Scientific Data
https://www.readbyqxmd.com/read/28534621/spectral-response-of-plasmonic-gold-nanoparticles-to-capacitive-charging-morphology-effects
#10
Benjamin S Hoener, Hui Zhang, Thomas S Heiderscheit, Silke R Kirchner, Agampodi Swarnapali De Silva Indrasekara, Rashad Baiyasi, Yi-Yu Cai, Peter Nordlander, Stephan Link, Christy F Landes, Wei-Shun Chang
We report a study of the shape-dependent spectral response of the gold nanoparticle surface plasmon resonance at various electron densities to provide mechanistic insight into the role of capacitive charging, a topic of some debate. We demonstrate a morphology dependent spectral response for gold nanoparticles due to capacitive charging using single-particle spectroscopy in an inert electrochemical environment. A decrease in plasmon energy and increase in spectral width for gold nanospheres and nanorods was observed as the electron density was tuned through a potential window of -0...
May 23, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28534569/the-a-center-defect-in-diamond-quantum-mechanical-characterization-through-the-infrared-spectrum
#11
Simone Salustro, Giuseppe Sansone, Claudio M Zicovich-Wilson, Yves Noël, Lorenzo Maschio, Roberto Dovesi
The A-center in diamond, which consists of two nitrogen atoms substituting two neighboring carbon atoms, has been investigated at the quantum mechanical level using an all-electron Gaussian type basis set, hybrid functionals and the periodic supercell approach. In order to simulate different defect concentrations, four supercells have been considered containing 32, 64, 128 and 216 atoms, respectively. The ground state is a closed shell system where the two neighboring nitrogen atoms are separated, as a consequence of the strong repulsive interaction between the lone pairs, by 2...
May 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28534466/validation-of-a-method-for-the-determination-of-balenine-ophidine-in-whale
#12
Stig Valdersnes, Anita Birkenes, Livar Froyland
<p>The aim of this study was to develop and validate a method for the determination of balenine/ophidine (hereafter referred to as “balenine”) in whale extracts and muscle samples from Balaenoptera acutorostrata. Further, the goal was to evaluate the method's applicability for the determination of other histidine-containing dipeptides (HCDs): anserine and carnosine and their amino acids π-methylhistidine, τ-methylhistidine, histidine, and β-alanine. For balenine, the LOD and LOQ were found to be 0...
May 22, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28534418/quantification-of-visceral-adipose-tissue-in-polycystic-ovary-syndrome-dual-energy-x-ray-absorptiometry-versus-magnetic-resonance-imaging
#13
Signe Frøssing, Malin Chatarina Nylander, Elizaveta Chabanova, Caroline Kistorp, Sven O Skouby, Jens Faber
Background Polycystic ovary syndrome (PCOS) is associated with frequent overweight and abdominal obesity. Quantifying visceral adipose tissue (VAT) in PCOS patients can be a tool to assess metabolic risk and monitor effects of treatment. The latest dual-energy X-ray absorptiometry (DXA) technology can measure VAT and subcutaneous adipose tissue (SAT) in a clinical setting. Purpose To compare DXA-measurements of VAT and SAT with the gold standard MRI in women with PCOS. Material and Methods A cross-sectional study of 67 overweight women with PCOS was performed...
January 1, 2017: Acta Radiologica
https://www.readbyqxmd.com/read/28534393/simple-approach-to-high-performance-stretchable-heaters-based-on-kirigami-patterning-of-conductive-paper-for-wearable-thermotherapy-applications
#14
Nam-Su Jang, Kang-Hyun Kim, Sung-Hun Ha, Soo-Ho Jung, Hye Moon Lee, Jong-Man Kim
Recent efforts to develop stretchable resistive heaters open up the possibility for their use in wearable thermotherapy applications. Such heaters should have high electrothermal performance and stability to be used practically, and the fabrication must be simple, economic, reproducible, and scalable. Here we present a simple yet highly efficient way of producing high-performance stretchable heaters, which is based on a facile kirigami pattering (the art of cutting and folding paper) of a highly conductive paper for practical wearable thermotherapy...
May 23, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28534384/global-knowledge-of-medicine-experiences-from-tuzla-and-banjaluka-bosnia-herzegovina
#15
Rajko Igić
When English became lingua franca, a significant change in the language of scientific publication in Central and Eastern European countries occurred; many journals instead of the local language, and German, French or Russian used English. The shift occurred due to the intention of both the journal editors and contributors to achieve international recognition and inclusion of the journal in prestigious international medical databases. As a consequence, publications in English are cited on average six times more frequently than those in German, Japanese or French...
March 2017: Journal of B.U.ON.: Official Journal of the Balkan Union of Oncology
https://www.readbyqxmd.com/read/28534194/assessing-protein-ligand-binding-modes-with-computational-tools-the-case-of-pde4b
#16
Gülşah Çifci, Viktorya Aviyente, E Demet Akten, Gerald Monard
In a first step in the discovery of novel potent inhibitor structures for the PDE4B family with limited side effects, we present a protocol to rank newly designed molecules through the estimation of their IC[Formula: see text] values. Our protocol is based on reproducing the linear relationship between the logarithm of experimental IC[Formula: see text] values [[Formula: see text](IC[Formula: see text])] and their calculated binding free energies ([Formula: see text]). From 13 known PDE4B inhibitors, we show here that (1) binding free energies obtained after a docking process by AutoDock are not accurate enough to reproduce this linear relationship; (2) MM-GB/SA post-processing of molecular dynamics (MD) trajectories of the top ranked AutoDock pose improves the linear relationship; (3) by taking into account all representative structures obtained by AutoDock and by averaging MM-GB/SA computations on a series of 40 independent MD trajectories, a linear relationship between [Formula: see text](IC[Formula: see text]) and the lowest [Formula: see text] is achieved with [Formula: see text]...
May 22, 2017: Journal of Computer-aided Molecular Design
https://www.readbyqxmd.com/read/28533803/use-of-ultrasound-in-image-guided-high-dose-rate-brachytherapy-enumerations-and-arguments
#17
REVIEW
Susovan Banerjee, Tejinder Kataria, Deepak Gupta, Shikha Goyal, Shyam Singh Bisht, Trinanjan Basu, Ashu Abhishek
Inherently, brachytherapy is the most conformal radiotherapeutic technique. As an aid to brachytherapy, ultrasonography (USG) serves as a portable, inexpensive, and simple to use method allowing for accurate, reproducible, and adaptive treatments. Some newer brachytherapy planning systems have incorporated USG as the sole imaging modality. Ultrasonography has been successfully used to place applicator and dose planning for prostate, cervix, and anal canal cancers. It can guide placement of brachytherapy catheters for all other sites like breast, skin, and head and neck cancers...
April 2017: Journal of Contemporary Brachytherapy
https://www.readbyqxmd.com/read/28533798/optimal-bladder-filling-during-high-dose-rate-intracavitary-brachytherapy-for-cervical-cancer-a-dosimetric-study
#18
Umesh Mahantshetty, Saurabha Shetty, Dipanjan Majumder, Pranjal Adurkar, Jamema Swamidas, Reena Engineer, Supriya Chopra, Shyamkishore Shrivastava
PURPOSE: The aim of this study is to compare 3D dose volume histogram (DVH) parameters of bladder and other organs at risk with different bladder filling protocol during high-dose-rate intracavitary brachytherapy (HDR-ICBT) in cervical cancer, and to find optimized bladder volume. MATERIAL AND METHODS: This dosimetric study was completed with 21 patients who underwent HDR-ICBT with computed tomography/magnetic resonance compatible applicator as a routine treatment...
April 2017: Journal of Contemporary Brachytherapy
https://www.readbyqxmd.com/read/28533465/human-colour-in-mate-choice-and-competition
#19
REVIEW
Hannah M Rowland, Robert P Burriss
The colour of our skin and clothing affects how others perceive us and how we behave. Human skin colour varies conspicuously with genetic ancestry, but even subtle changes in skin colour due to diet, blood oxygenation and hormone levels influence social perceptions. In this review, we describe the theoretical and empirical frameworks in which human colour is researched. We explore how subtle skin colour differences relate to judgements of health and attractiveness. Also, because humans are one of the few organisms able to manipulate their apparent colour, we review how cosmetics and clothing are implicated in courtship and competition, both inside the laboratory and in the real world...
July 5, 2017: Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences
https://www.readbyqxmd.com/read/28533127/primary-human-polarized-small-intestinal-epithelial-barriers-respond-differently-to-a-hazardous-and-an-innocuous-protein
#20
A D Eaton, C Zimmermann, B Delaney, B P Hurley
An experimental platform employing human derived intestinal epithelial cell (IEC) line monolayers grown on permeable Transwell(®) filters was previously investigated to differentiate between hazardous and innocuous proteins. This approach was effective at distinguishing these types of proteins and perturbation of monolayer integrity, particularly transepithelial electrical resistance (TEER), was the most sensitive indicator. In the current report, in vitro indicators of monolayer integrity, cytotoxicity, and inflammation were evaluated using primary (non-transformed) human polarized small intestinal epithelial barriers cultured on Transwell(®) filters to compare effects of a hazardous protein (Clostridium difficile Toxin A [ToxA]) and an innocuous protein (bovine serum albumin [BSA])...
May 19, 2017: Food and Chemical Toxicology
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