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https://www.readbyqxmd.com/read/29776003/the-vcd-pattern-of-the-%C3%AE-c-o-bands-in-isoindolinones
#1
Joanna Ewa Rode, Krzysztof Lyczko, Magdalena Jawiczuk, Robert Kawęcki, Wojciech Stańczyk, Agnieszka Jaglińska, Jan Cz Dobrowolski
The IR and VCD spectra of both enantiomers of Me, iPr, nBu, Ph and CH2Ph substituted isoindolinones in solution and KBr pellets were measured and interpreted with DFT calculations. The spectra in solution revealed no important differences in the C=O stretching vibration region while the interpretation of very distinct spectra taken in pellets required determining the crystal structures. The studied compounds crystallized in the P212121 (Me, iPr, CH2Ph), P31 (nBu), and P21 (Ph) space groups. We found that the quality of simulated spectra strongly depends on the substituent, the structure of the molecular cluster assumed, basis set, and use of the dispersion correction...
May 18, 2018: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/29775985/sensorimotor-exercises-and-enhanced-trunk-function-a-randomized-controlled-trial
#2
Steffen Mueller, Tilman Engel, Juliane Mueller, Josefine Stoll, Heiner Baur, Frank Mayer
The aim of this study was to investigate the effect of a 6-week sensorimotor or resistance training on maximum trunk strength and response to sudden, high-intensity loading in athletes.Forty-three healthy, well-trained participants were randomized into sensorimotor (SMT; n=11), resistance training (RT; n=16) and control groups (CG; n=16). Treatment groups received either sensorimotor training (SMT) or resistance training (RT) for 6 weeks, 3 times a week. At baseline and after 6 weeks of intervention, participants' maximum isokinetic strength in trunk rotation and extension was tested (concentric/eccentric 30°/s)...
May 18, 2018: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/29775970/anti-inflammatory-flavanones-and-flavanols-from-the-roots-of-pongamia-pinnata
#3
Ran Wen, Haining Lv, Yong Jiang, Pengfei Tu
A phytochemical study of the roots of Pongamia pinnata afforded 29 flavanones and flavanols, including 7 previously undescribed compounds. The structures of the isolated compounds were determined by 1D and 2D NMR and mass spectroscopy data. The absolute configurations of the compounds were assigned via analysis of the specific rotations and electronic circular dichroism spectra, application of Mosher's method, and by comparing the calculated and experimental electronic circular dichroism spectra. The isolates were evaluated for their inhibitory effects on nitric oxide production in lipopolysaccharide-stimulated BV-2 microglial cells...
May 18, 2018: Planta Medica
https://www.readbyqxmd.com/read/29775960/strategies-to-decrease-oxidative-stress-biomarker-levels-in-human-medical-conditions-a-meta-analysis-on-8-iso-prostaglandin-f-2%C3%AE
#4
Thomas J van 't Erve
The widespread detection of elevated oxidative stress levels in many medical conditions has led to numerous efforts to design interventions to reduce its effects. Efforts have been wide-ranging, from dietary changes to administration of antioxidants, supplements, e.g., omega-3-fatty acids, and many medications. However, there is still no systemic assessment of the efficacy of treatments for oxidative stress reduction across a variety of medical conditions. The goal of this meta-analysis is, by combining multiple studies, to quantitate the change in the levels of the popular oxidative stress biomarker 8-iso-prostaglandin F2α (8-iso-PGF2α ) after a variety of treatment strategies in human populations...
May 9, 2018: Redox Biology
https://www.readbyqxmd.com/read/29775959/adolescent-smokers-response-to-reducing-the-nicotine-content-of-cigarettes-acute-effects-on-withdrawal-symptoms-and-subjective-evaluations
#5
Rachel N Cassidy, Suzanne M Colby, Jennifer W Tidey, Kristina M Jackson, Patricia A Cioe, Suchitra Krishnan-Sarin, Dorothy Hatsukami
BACKGROUND: Mandating a reduction in the nicotine content of cigarettes to a minimally addictive level could dramatically reduce smoking rates in the US. However, little is known about the effects of reduced nicotine content cigarettes in adolescents. METHODS: Following overnight abstinence, adolescent daily smokers (ages 15-19, n = 50) reported on their craving, withdrawal, and positive and negative affect pre- and post- ad lib smoking of one cigarette containing varying nicotine content (15...
May 15, 2018: Drug and Alcohol Dependence
https://www.readbyqxmd.com/read/29775952/molecular-simulation-and-experimental-validation-of-resorcinol-adsorption-on-ordered-mesoporous-carbon-omc
#6
Zaki Uddin Ahmad, Bing Chao, Mas Iwan Konggidinata, Qiyu Lian, Mark E Zappi, Daniel Dianchen Gang
Numerous research works have been devoted in the adsorption area using experimental approaches. All these approaches are based on trial and error process and extremely time consuming. Molecular simulation technique is a new tool that can be used to design and predict the performance of an adsorbent. This research proposed a simulation technique that can greatly reduce the time in designing the adsorbent. In this study, a new Rhombic ordered mesoporous carbon (OMC) model is proposed and constructed with various pore sizes and oxygen contents using Materials Visualizer Module to optimize the structure of OMC for resorcinol adsorption...
April 27, 2018: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/29775950/drechmerin-h-a-novel-1-2-2-18-diseco-indole-diterpenoid-from-the-fungus-drechmeria-sp-as-a-natural-agonist-of-human-pregnane-x-receptor
#7
Jian-Chao Zhao, Zhi-Lin Luan, Jia-Hao Liang, Zhong-Bin Cheng, Cheng-Peng Sun, Ya-Li Wang, Meng-Yue Zhang, Tian-Yuan Zhang, Yong Wang, Tian-Mei Yang, Ying-Ying Wu, Yi-Xuan Zhang, Xin-Yu Zhao, Xiao-Chi Ma
A novel 1(2), 2(18)-diseco indole diterpenoid, drechmerin H (1), was isolated from the fermentation broth of Drechmeria sp. together with a new indole diterpenoid, 2'-epi terpendole A (3), and a known analogue, terpendole A (2). Their structures were determined by HRESIMS, 1D and 2D NMR, ECD, and X-ray single crystal diffraction analyses as well as quantum chemical calculation. The abosulte configuration of terpendole A (2) was determined for the first time. Compound 1 displayed the significant agonistic effect on pregnane X receptor (PXR) with EC50 value of 134...
May 9, 2018: Bioorganic Chemistry
https://www.readbyqxmd.com/read/29775949/design-and-synthesis-of-some-new-carboxamide-and-propanamide-derivatives-bearing-phenylpyridazine-as-a-core-ring-and-the-investigation-of-their-inhibitory-potential-on-in-vitro-acetylcholinesterase-and-butyrylcholinesterase
#8
Burcu Kilic, Hayrettin O Gulcan, Fatma Aksakal, Tugba Ercetin, Nihan Oruklu, E Umit Bagriacik, Deniz S Dogruer
A series of new carboxamide and propanamide derivatives bearing phenylpyridazine as a core ring were designed, synthesized and evaluated for their ability to inhibit both cholinesterase enzymes. In addition, a series of carboxamide and propanamide derivatives bearing biphenyl instead of phenylpyridazine were also synthesized to examine the inhibitory effect of pyridazine moiety on both cholinesterase enzymes. The inhibitory activity results revealed that compounds 5b, 5f, 5h, 5j, 5l pyridazine-3-carboxamide derivative, exhibited selective acetylcholinesterase (AChE) inhibition with IC50 values ranging from 0...
May 8, 2018: Bioorganic Chemistry
https://www.readbyqxmd.com/read/29775932/bond-length-equalization-with-molecular-aromaticity-a-new-measurement-of-aromaticity
#9
Chen-Fei Shen, Zi-Zhong Liu, Hong-Xia Liu, Hui-Qing Zhang
A new method to measure the amount of aromaticity is presented through the process of Bond Length Equalization (BLE). Degree of Aromaticity (DOA), a two-dimensional intensive quantity including geometric and energetic factors, as a new measurement of aromaticity is proposed. The unique characteristic of DOA and the formation of DOA will be displayed. The calculation of the geometrical optimization, DOA, Nucleus Independent Chemical Shifts (NICS) and Ring Stretching Vibration Raman Spectroscopy Frequency (RSVRSF) for the aromatic ring molecules - Gn Hn m (G = C, Si, Ge, n = 3, 5-8, m = +1, -1, 0, +1, +2) were calculated using the method of Density Functional Theory (DFT)...
May 8, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29775930/synthesis-photophysical-and-electrochemical-properties-of-a-blue-emitter-with-binaphthalene-and-carbazole-units
#10
Lixia Guo, Xiaoju Wang, Liheng Feng
A blue emitter, 3,3'-(2,2'-dimethoxy-[1,1'-binaphthalene]-6,6'-diyl)bis(9-benzyl-9H-carbazole), was synthesized by Suzuki coupling reaction. The photophysical properties of the emitter in solution were firstly investigated by UV-Vis absorption and fluorescence emission techniques. The results indicate that the emitter has excellent optical and electron transfer properties. The maximum absorption and emission peaks of the emitter are 302 nm and 406 nm with 67.4% fluorescence quantum yield in chloroform, respectively...
May 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29775914/current-radiological-situation-in-areas-of-ukraine-contaminated-by-the-chernobyl-accident-part-1-human-dietary-exposure-to-caesium-137-and-possible-mitigation-measures
#11
I Labunska, V Kashparov, S Levchuk, D Santillo, P Johnston, S Polishchuk, N Lazarev, Y Khomutinin
This study reports for the first time temporal trends for the period of 2011-2016 in 137 Cs content in cow's milk originating from private farms and households of 14 settlements located in the territories of the Rivne region, Ukraine. These areas are still radioactively contaminated as a result of the accident at the Chernobyl Nuclear Power Plant (ChNPP) in 1986. In 2016, the average 137 Cs activity concentration in milk exceeded the Ukrainian Permissible Level (PL) for adults of 100 Bq/l in samples from 6 settlements and the PL for children of 40 Bq/l in 8 settlements, reaching activity concentration of around 500 Bq/l in some samples...
May 15, 2018: Environment International
https://www.readbyqxmd.com/read/29775909/sensorimotor-control-and-neuromuscular-activity-of-the-shoulder-in-adolescent-competitive-swimmers-with-generalized-joint-hypermobility
#12
Thomas Frydendal, Henrik Eshøj, Behnam Liaghat, Pascal Edouard, Karen Søgaard, Birgit Juul-Kristensen
INTRODUCTION: Shoulder pain is highly prevalent in competitive swimmers, and generalized joint hypermobility (GJH) is considered a risk factor. Sensorimotor control deficiencies and altered neuromuscular activation of the shoulder may represent underlying factors. RESEARCH QUESTION: To investigate whether competitive swimmers with GJH including shoulder hypermobility (GJHS) differ in shoulder sensorimotor control and muscle activity from those without GJH and no shoulder hypermobility (NGJH)...
May 5, 2018: Gait & Posture
https://www.readbyqxmd.com/read/29775885/clinical-correlates-of-hypothalamic-pituitary-adrenal-axis-measures-in-individuals-at-risk-for-psychosis-and-with-first-episode-psychosis
#13
Javier Labad, Antonio Armario, Roser Nadal, Montse Solé, Alfonso Gutiérrez-Zotes, Itziar Montalvo, Lorena Moreno-Samaniego, Lourdes Martorell, Vanessa Sánchez-Gistau, Elisabet Vilella
Hypothalamic-pituitary-adrenal (HPA) axis alterations in at-risk mental states (ARMS) resemble those observed in established psychosis but are less consistent. We aimed to explore HPA axis abnormalities in both first-episode psychosis (FEP) and ARMS patients, while controlling for psychopathological symptoms. We studied 21 ARMS, 34 FEP patients and 34 healthy subjects. Clinical assessment included psychopathological symptoms (positive, negative, disorganized, excited and depressive symptoms) and stress measures...
May 7, 2018: Psychiatry Research
https://www.readbyqxmd.com/read/29775859/facilitating-complex-dna-mixture-interpretation-by-sequencing-highly-polymorphic-haplotypes
#14
Lev Voskoboinik, Uzi Motro, Ariel Darvasi
Interpretation of complex DNA mixtures is an ongoing challenge in the field of forensic genetics. Commonly used STR markers are quite polymorphic, enabling very high statistical association between a single source DNA profile from a crime scene and a matching suspect. STR typing of low order mixtures with two and three contributors also commonly produces high statistical association for a contributor, using current interpretation software. However higher order mixtures, with four contributors or more, are more challenging...
May 2, 2018: Forensic Science International. Genetics
https://www.readbyqxmd.com/read/29775856/a-simple-ultrasensitive-electrochemical-sensor-for-simultaneous-determination-of-gallic-acid-and-uric-acid-in-human-urine-and-fruit-juices-based-on-zirconia-choline-chloride-gold-nanoparticles-modified-carbon-paste-electrode
#15
Seyed Alireza Shahamirifard, Mehrorang Ghaedi, Zahra Razmi, Shaaker Hajati
The determination of gallic acid (GA) and uric acid (UA) is essential due to their biological properties. Numerous methods have been reported for the analysis of GA and UA in various real samples. However, the development of a simple, rapid and practical sensor still remains a great challenge. Here, a carbon paste electrode (CPE) was modified by nanocomposite containing zirconia nanoparticles (ZrO2 NPs), Choline chloride (ChCl) and gold nanoparticles (AuNPs) to construct ZrO2 -ChCl-AuNPs/CPE as electrochemical sensor for the simultaneous electro-oxidation of GA and UA...
May 8, 2018: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/29775843/transfer-of-radionuclides-and-dose-assessment-to-ants-and-anthills-in-a-swedish-forest-ecosystem
#16
K Rosén, L Lenoir, K Stark, M Vinichuk, S Sundell-Bergman
In forest ecosystems soil organisms are important for immobilization, translocation and recycling of radionuclides. Still, there is a lack of studies on the role of insects such as ants in the turnover of radionuclides and how radioactivity affects an ant community. In this study seven anthills were sampled in an area that was heavily contaminated after the fallout from the Chernobyl accident. Samples of ant and anthill materials were taken from different depths of the anthills as well as from the surrounding soil and the activity concentrations of 137 Cs were determined...
May 15, 2018: Journal of Environmental Radioactivity
https://www.readbyqxmd.com/read/29775811/determination-of-docetaxel-in-dried-blood-spots-by-lc-ms-ms-method-development-validation-and-clinical-application
#17
S Raymundo, V V Muller, N B Andriguetti, M Tegner, A C Artmann, H M Kluck, M A Franzoi, R M M Vilela, G Schwartsmann, R Linden, M V Antunes
In this study, a LC-MS/MS method for the measurement of docetaxel in Dried Blood Spots (DBS) samples was developed and validated. Docetaxel was extracted from 8 mm DBS punch with a mixture of methanol and acetonitrile (9:1, v/v). The chromatographic separation occurred in an Acquity® C18 column (150 × 2.1 mm, 1.7 μm) eluted with a mixture of water and acetonitrile plus 0.1% formic acid (45:55, v/v). Total analytical run time was 7 min. The method was linear from 50 to 3000 ng ml-1 . Precision assays showed CV% < 9...
May 15, 2018: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29775791/an-imaging-biomarker-for-assessing-hepatic-function-in-patients-with-primary-sclerosing-cholangitis
#18
Jennifer Schulze, Henrike Lenzen, Jan B Hinrichs, Burckhardt Ringe, Michael P Manns, Frank Wacker, Kristina I Ringe
BACKGROUND & AIMS: We aimed to evaluate the potential of hepatobiliary phase magnetic resonance imaging (MRI) as parameter for assessment of hepatocellular function in patients with primary sclerosing cholangitis (PSC). METHODS: We collected data from 111 patients (83 male, 28 female; median, 44 years old), from March 2012 through March 2016, with a confirmed diagnosis of PSC who underwent MRI evaluation before and after injection (hepatobiliary phase) of a hepatocyte-specific contrast agent (gadoxetate disodium)...
May 15, 2018: Clinical Gastroenterology and Hepatology
https://www.readbyqxmd.com/read/29775773/trimeprazine-is-enantioselectively-degraded-by-an-activated-sludge-in-ready-biodegradability-test-conditions
#19
Laura Escuder-Gilabert, Yolanda Martín-Biosca, Mireia Perez-Baeza, Salvador Sagrado, María José Medina-Hernández
A great number of available pharmaceuticals are chiral compounds. Although they are usually manufactured as racemic mixtures, they can be enantioselectively biodegraded as a result of microbial processes. In this paper, a biodegradability assay in similar conditions to those recommended in OECD tests of enantiomers of trimeprazine (a phenothiazine employed as a racemate) is carried out. Experiments were performed in batch mode using a minimal salts medium inoculated with an activated sludge (collected from a Valencian Waste Water Treatment Plant, WWTP) and supplemented with the racemate...
May 9, 2018: Water Research
https://www.readbyqxmd.com/read/29775771/a-detailed-analysis-of-the-arden-syntax-expression-grammar
#20
Stefan Kraus, Marc Rosenbauer, Lutz Schröder, Thomas Bürkle, Klaus-Peter Adlassnig, Dennis Toddenroth
OBJECTIVE: The Arden Syntax for Medical Logic Systems is a standard for encoding and sharing medical knowledge in the form of Medical Logic Modules. To improve accessibility for clinicians, the originators of the standard deliberately designed Arden Syntax expressions to resemble natural language, and parentheses around operands are not generally required. For certain patterns of nested expressions, however, the use of parentheses is mandatory, otherwise they are not accepted by an Arden Syntax environment...
May 15, 2018: Journal of Biomedical Informatics
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