keyword
MENU ▼
Read by QxMD icon Read
search

Computer use

keyword
https://www.readbyqxmd.com/read/28738626/elimination-of-interference-from-water-in-kbr-disk-ft-ir-spectra-of-solid-biomaterials-by-chemometrics-solved-with-kinetic-modeling
#1
Sherald H Gordon, Rogers E Harry-O'kuru, Abdellatif A Mohamed
Infrared analysis of proteins and polysaccharides by the well known KBr disk technique is notoriously frustrated and defeated by absorbed water interference in the important amide and hydroxyl regions of spectra. This interference has too often been overlooked or ignored even when the resulting distortion is critical or even fatal, as in quantitative analyses of protein secondary structure, because the water has been impossible to measure or eliminate. Therefore, a new chemometric method was devised that corrects spectra of materials in KBr disks by mathematically eliminating the water interference...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738601/biosensor-assisted-selection-of-optimal-parameters-for-designing-molecularly-imprinted-polymers-selective-to-phosmet-insecticide
#2
Nadin Aftim, Georges Istamboulié, Elena Piletska, Sergey Piletsky, Carole Calas-Blanchard, Thierry Noguer
Molecularly imprinted polymers (MIPs) for phosmet insecticide were synthesized by batch polymerization. The affinity of functional monomers to phosmet was tested using an original method involving an electrochemical biosensor based on acetylcholinesterase inhibition. It was demonstrated that association of phosmet with appropriate functional monomers resulted in a decrease of enzyme inhibition. Using this method, it was shown that N,N-methylenebis(acrylamide) displayed the highest interactions with phosmet using DMSO as solvent...
November 1, 2017: Talanta
https://www.readbyqxmd.com/read/28738450/the-effect-of-pressure-on-organic-reactions-in-fluids-a-new-theoretical-perspective
#3
REVIEW
Bo Chen, Roald Hoffmann, Roberto Cammi
This Review brings a new perspective to the study of chemical reactions in compressed fluid media. We begin by reviewing the substantial insight gained from more than 50 years of experimental studies on organic reactions in solution under pressure. These led to a proper estimation of the critical roles of volume of activation (Δ(≠) V) and reaction volume (ΔV) in understanding pressure effect on rates and equilibria of organic reactions. A recently developed computational method, the XP-PCM (extreme pressure polarizable continuum model) method, capable of carrying out quantum mechanical calculations of reaction pathways of molecules under pressure, is introduced...
July 24, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28738445/population-characteristics-of-macrocheles-glaber-acari-macrochelidae-and-stratiolaelaps-scimitus-acari-laelapidae-reared-on-a-mushroom-fly-coboldia-fuscipes-diptera-scatopsidae
#4
Mei-Fang Wen, Hsin Chi, Ying-Xiao Lian, Yu-Hao Zheng, Qing-Hai Fan, Min-Sheng You
Subterranean predatory mites are important biological control agents of pests in soil. In order to understand the population characteristics of two predatory mites, Macrocheles glaber Müller and Stratiolaelaps scimitus Womersley, we studied their development, survival and fecundity data under laboratory conditions using Coboldia fuscipes Meigen as food source and analyzed with the age-stage, two-sex life table. Macrocheles glaber had a significantly shorter developmental time, oviposition period, longevity and lower fecundity than those of S...
July 24, 2017: Insect Science
https://www.readbyqxmd.com/read/28738391/updated-palate-surgery-for-obstructive-sleep-apnea
#5
Hsueh-Yu Li
Initially described in 1981, uvulopalatopharyngoplasty was the first surgical procedure specially designed at the palatal level for snoring and obstructive sleep apnea (OSA). To date, palatal surgery remains the most commonly used surgery for OSA. The advancement of this surgery over the past 30 years has been a process of evolution in concepts, examination, and technique to increase safety and effectiveness in the treatment of OSA. Concept changes have emerged in the disease etiology, purpose of surgery, treatment priorities, staging of operations, integration therapy, and surgical endpoints...
2017: Advances in Oto-rhino-laryngology
https://www.readbyqxmd.com/read/28738204/the-fate-of-sotalol-in-aqueous-chlorination-kinetics-mechanisms-and-ecotoxicity-assessment
#6
Wan Nor Adira Wan Khalit, Kheng Soo Tay
Unmetabolized pharmaceuticals often enter the water treatment plants and exposed to various treatment processes. Among these water treatment processes, disinfection is a process which involves the application of chemical oxidation to remove pathogen. Untreated pharmaceuticals from primary and secondary treatment have the potential to be exposed to the chemical oxidation process during disinfection. This study investigated the kinetics and mechanism of the degradation of sotalol during chlorination process. Chlorination with hypochlorous acid (HOCl) as main reactive oxidant has been known as one of the most commonly used disinfection methods...
July 21, 2017: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/28738147/round-robin-study-molecular-simulation-of-thermodynamic-properties-from-models-with-internal-degrees-of-freedom
#7
Michael Schappals, Andreas Mecklenfeld, Leif Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J García, Gabor Rutkai, Gabiele Raabe, Peter Klein, Kai Leonhard, Colin W Glass, Johannes Lenhard, Jadran Vrabec, Hans Hasse
Thermodynamic properties are often modeled by classical force fields which describe the interactions on the atomistic scale. Molecular simulations are used for retrieving thermodynamic data from such models and many simulation techniques and computer codes are available for that purpose. In the present round robin study, the following fundamental question is addressed: Will different user groups working with different simulation codes obtain coinciding results within the statistical uncertainty of their data? A set of 24 simple simulation tasks is defined and solved by five user groups working with eight molecular simulation codes: DL_POLY, GROMACS, IMC, LAMMPS, ms2, NAMD, Tinker, and TOWHEE...
July 24, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28738126/comparing-plasma-phospho-tau-total-tau-and-phospho-tau-total-tau-ratio-as-acute-and-chronic-traumatic-brain-injury-biomarkers
#8
Richard Rubenstein, Binggong Chang, John K Yue, Allen Chiu, Ethan A Winkler, Ava M Puccio, Ramon Diaz-Arrastia, Esther L Yuh, Pratik Mukherjee, Alex B Valadka, Wayne A Gordon, David O Okonkwo, Peter Davies, Sanjeev Agarwal, Fan Lin, George Sarkis, Hamad Yadikar, Zhihui Yang, Geoffrey T Manley, Kevin K W Wang, Shelly R Cooper, Kristen Dams-O'Connor, Allison J Borrasso, Tomoo Inoue, Andrew I R Maas, David K Menon, David M Schnyer, Mary J Vassar
Importance: Annually in the United States, at least 3.5 million people seek medical attention for traumatic brain injury (TBI). The development of therapies for TBI is limited by the absence of diagnostic and prognostic biomarkers. Microtubule-associated protein tau is an axonal phosphoprotein. To date, the presence of the hypophosphorylated tau protein (P-tau) in plasma from patients with acute TBI and chronic TBI has not been investigated. Objective: To examine the associations between plasma P-tau and total-tau (T-tau) levels and injury presence, severity, type of pathoanatomic lesion (neuroimaging), and patient outcomes in acute and chronic TBI...
July 24, 2017: JAMA Neurology
https://www.readbyqxmd.com/read/28738095/a-clinically-useful-screen-for-attention-deficit-hyperactivity-disorder-in-adult-psychiatric-outpatients
#9
Mark Zimmerman, Eugenia Gorlin, Kristy Dalrymple, Iwona Chelminiski
BACKGROUND: Attention-deficit/hyperactivity disorder (ADHD) is a serious illness that is frequently underdiagnosed in adults. The goal of this report from the Rhode Island Methods to Improve Diagnostic Assessment and Services project was to determine if it was possible to identify 1 or 2 ADHD criteria that could serve as "gate" criteria to screen for the disorder. METHODS: Psychiatric outpatients (N = 1,134) were evaluated using a semi-structured diagnostic interview for DSM-IV criteria of ADHD...
August 1, 2017: Annals of Clinical Psychiatry: Official Journal of the American Academy of Clinical Psychiatrists
https://www.readbyqxmd.com/read/28738088/virtual-daily-living-test-to-screen-for-mild-cognitive-impairment-using-kinematic-movement-analysis
#10
Kyoungwon Seo, Jae-Kwan Kim, Dong Hoon Oh, Hokyoung Ryu, Hojin Choi
Questionnaires or computer-based tests for assessing activities of daily living are well-known approaches to screen for mild cognitive impairment (MCI). However, questionnaires are subjective and computerized tests only collect simple performance data with conventional input devices such as a mouse and keyboard. This study explored the validity and discriminative power of a virtual daily living test as a new diagnostic approach to assess MCI. Twenty-two healthy controls and 20 patients with MCI were recruited...
2017: PloS One
https://www.readbyqxmd.com/read/28738087/exercise-physiology-with-a-left-ventricular-assist-device-analysis-of-heart-pump-interaction-with-a-computational-simulator
#11
Libera Fresiello, Frank Rademakers, Piet Claus, Gianfranco Ferrari, Arianna Di Molfetta, Bart Meyns
Patients with a Ventricular Assist Device (VAD) are hemodynamically stable but show an impaired exercise capacity. Aim of this work is to identify and to describe the limiting factors of exercise physiology with a VAD. We searched for data concerning exercise in heart failure condition and after VAD implantation from the literature. Data were analyzed by using a cardiorespiratory simulator that worked as a collector of inputs coming from different papers. As a preliminary step the simulator was used to reproduce the evolution of hemodynamics from rest to peak exercise (ergometer cycling) in heart failure condition...
2017: PloS One
https://www.readbyqxmd.com/read/28738022/werner-syndrome-a-model-for-sarcopenia-due-to-accelerated-aging
#12
Masaya Yamaga, Minoru Takemoto, Mayumi Shoji, Kenichi Sakamoto, Masashi Yamamoto, Takahiro Ishikawa, Masaya Koshizaka, Yoshiro Maezawa, Kazuki Kobayashi, Koutaro Yokote
Werner syndrome (WS) is a rare inheritable progeroid syndrome caused by a mutation in the WRN gene. Although WS has been described as a characteristic appearance of very slender extremities with a stocky trunk, few studies have investigated the loss of muscle mass, fat mass distribution (body composition), and mobility according to age and sex. Therefore, the aim of this study was to precisely describe the body composition in WS. Nine Japanese patients with WS (four males and five females; mean age 48±8.8 years) were recruited...
July 19, 2017: Aging
https://www.readbyqxmd.com/read/28738015/observational-study-to-estimate-the-changes-in-the-effectiveness-of-bacillus-calmette-gu%C3%A3-rin-bcg-vaccination-with-time-since-vaccination-for-preventing-tuberculosis-in-the-uk
#13
Punam Mangtani, Patrick Nguipdop-Djomo, Ruth H Keogh, Lucy Trinder, Peter G Smith, Paul Em Fine, Jonathan Sterne, Ibrahim Abubakar, Emilia Vynnycky, John Watson, David Elliman, Marc Lipman, Laura C Rodrigues
BACKGROUND: Until recently, evidence that protection from the bacillus Calmette-Guérin (BCG) vaccination lasted beyond 10 years was limited. In the past few years, studies in Brazil and the USA (in Native Americans) have suggested that protection from BCG vaccination against tuberculosis (TB) in childhood can last for several decades. The UK's universal school-age BCG vaccination programme was stopped in 2005 and the programme of selective vaccination of high-risk (usually ethnic minority) infants was enhanced...
July 2017: Health Technology Assessment: HTA
https://www.readbyqxmd.com/read/28738000/comparison-of-cardiac-output-measured-by-use-of-computed-tomography-and-thermodilution-in-dogs
#14
Sharon Tenenbaum, Fernando L Garcia-Pereira, Clifford R Berry, Tori Obert
OBJECTIVE To compare cardiac output (CO) measured by use of CT coronary angiography and thermodilution (criterion-referenced standard) at various CO values, record adverse effects, and determine the time needed to measure CO. ANIMALS 5 healthy purpose-bred Beagles (2 males and 3 females). PROCEDURES A prospective nonrandomized crossover study was conducted. Dogs were premedicated with butorphanol tartrate (0.2 mg•kg(-1), IM). Anesthesia was induced by IV administration of etomidate (1 to 2 mg•kg(-1)) and midazolam (0...
August 2017: American Journal of Veterinary Research
https://www.readbyqxmd.com/read/28737995/factors-in-the-4-week-acceptance-of-a-computer-based-chronic-disease-self-monitoring-system-in-patients-with-type-2-diabetes-mellitus-and-or-hypertension
#15
Mian Yan, Calvin Or
BACKGROUND: Health information technology (HIT) interventions developed to support patients' self-care for chronic diseases have become popular, but people may not always accept and sustain their use. INTRODUCTION: This study examined factors that affected patients' acceptance of a computer-based, chronic disease self-monitoring system over a 4-week period. MATERIALS AND METHODS: A research model was developed to test the relationships between the perceived usefulness, perceived ease of use, attitude, and subjective norm and the patients' behavioral intention to use the system (i...
July 21, 2017: Telemedicine Journal and E-health: the Official Journal of the American Telemedicine Association
https://www.readbyqxmd.com/read/28737933/efficient-application-of-continuous-fractional-component-monte-carlo-in-the-reaction-ensemble
#16
Ali Poursaeidesfahani, Remco Hens, Ahmadreza Rahbari, Mahinder Ramdin, David Dubbeldam, Thijs J H Vlugt
A new formulation of the Reaction Ensemble Monte Carlo technique (RxMC) combined with the Continuous Fractional Component Monte Carlo method is presented. This method is denoted by serial Rx/CFC. The key ingredient is that fractional molecules of either reactants or reaction products are present, and that chemical reactions always involve fractional molecules. Serial Rx/CFC has the following advantages compared to other approaches: (1) one directly obtains chemical potentials of all reactants and reaction products...
July 24, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28737911/platform-for-unified-molecular-analysis-puma
#17
Mariana González-Medina, Jose Luis Medina-Franco
We introduce a free platform for chemoinformatic-based diversity analysis and visualization of chemical space of user supplied data sets. Platform for Unified Molecular Analysis (PUMA) integrates metrics used to characterize compound databases including visualization of chemical space, scaffold content, and analysis of chemical diversity. The user's input is a file with SMILES, database names, and compound IDs. PUMA computes molecular properties of pharmaceutical relevance, Murcko scaffolds, and diversity analysis...
July 24, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28737802/accurate-prediction-of-energetic-properties-of-ionic-liquid-clusters-using-a-fragment-based-quantum-mechanical-method
#18
Jinfeng Liu, Xiao He
Accurate prediction of physicochemical properties of ionic liquids (ILs) is of great significance to understand and design novel ILs with unique properties. This study employed the electrostatically embedded generalized molecular fractionation (EE-GMF) method for accurate energy calculation of IL clusters. The accuracy and efficiency of the EE-GMF method are systematically assessed at different ab initio levels (including HF, DFT and MP2) with diverse basis sets. With the fixed charge model for the embedding field, the deviations of the EE-GMF approach from conventional full system calculations are within 2...
July 24, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28737747/a-spatially-localized-architecture-for-fast-and-modular-dna-computing
#19
Gourab Chatterjee, Neil Dalchau, Richard A Muscat, Andrew Phillips, Georg Seelig
Cells use spatial constraints to control and accelerate the flow of information in enzyme cascades and signalling networks. Synthetic silicon-based circuitry similarly relies on spatial constraints to process information. Here, we show that spatial organization can be a similarly powerful design principle for overcoming limitations of speed and modularity in engineered molecular circuits. We create logic gates and signal transmission lines by spatially arranging reactive DNA hairpins on a DNA origami. Signal propagation is demonstrated across transmission lines of different lengths and orientations and logic gates are modularly combined into circuits that establish the universality of our approach...
July 24, 2017: Nature Nanotechnology
https://www.readbyqxmd.com/read/28737733/a-secure-and-verifiable-outsourced-access-control-scheme-in-fog-cloud-computing
#20
Kai Fan, Junxiong Wang, Xin Wang, Hui Li, Yintang Yang
With the rapid development of big data and Internet of things (IOT), the number of networking devices and data volume are increasing dramatically. Fog computing, which extends cloud computing to the edge of the network can effectively solve the bottleneck problems of data transmission and data storage. However, security and privacy challenges are also arising in the fog-cloud computing environment. Ciphertext-policy attribute-based encryption (CP-ABE) can be adopted to realize data access control in fog-cloud computing systems...
July 24, 2017: Sensors
keyword
keyword
42936
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"