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https://www.readbyqxmd.com/read/28528255/molecular-structure-second-and-third-order-nonlinear-optical-properties-and-dft-studies-of-a-novel-non-centrosymmetric-chalcone-derivative-2e-3-4-fluorophenyl-1-4-1e-4-fluorophenyl-methylene-amino-phenyl-prop-2-en-1-one
#1
Shivaraj R Maidur, Parutagouda Shankaragouda Patil, Anusha Ekbote, Tze Shyang Chia, Ching Kheng Quah
In the present work, the title chalcone, (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl) methylene]amino}phenyl)prop-2-en-1-one (abbreviated as FAMFC), was synthesized and structurally characterized by single-crystal X-ray diffraction. The compound is crystallized in the monoclinic system with non-centrosymmetric space group P21 and hence it satisfies the essential condition for materials to exhibit second-order nonlinear optical properties. The molecular structure was further confirmed by using FT-IR and (1)H NMR spectroscopic techniques...
May 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28528254/quantitative-determination-of-auramine-o-by-terahertz-spectroscopy-with-2dcos-plsr%C3%A2-model
#2
Huo Zhang, Zhi Li, Tao Chen, Binyi Qin
Residues of harmful dyes such as Auramine O (AO) in herb and food products threaten the health of people. So, fast and sensitive detection techniques of the residues are needed. As a powerful tool for substance detection, terahertz (THz) spectroscopy was used for the quantitative determination of AO by combining with an improved partial least-squares regression (PLSR) model in this paper. Absorbance of herbal samples with different concentrations was obtained by THz-TDS in the band between 0.2THz and 1.6THz...
May 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28528214/nmr-structure-conformational-dynamics-and-biological-activity-of-psdef1-defensin-from-pinus-sylvestris
#3
Bulat I Khairutdinov, Elena A Ermakova, Yuri M Yusypovych, Elena K Bessolicina, Nadezhda B Tarasova, Yana Y Toporkova, Valentina Kovaleva, Yuriy F Zuev, Irina V Nesmelova
Plants have developed a complex defense response system against pests and pathogens. Defensins, produced by plants as part of their innate immune response, form the family of small, basic, cysteine-rich proteins with activity primarily directed against fungal pathogens. In addition, plant defensins can show antibacterial activity and protease and insect amylase inhibitory activities. However, in gymnosperms, only antifungal activity of defensins has been described thus far. Here, we report antibacterial and insect α-amylase inhibition activities for defensin PsDef1 from P...
May 17, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28527971/identification-and-comprehensive-evaluation-of-reference-genes-for-rt-qpcr-analysis-of-host-gene-expression-in-brassica-juncea-aphid-interaction-using-microarray-data
#4
Chet Ram, Murali Krishna Koramutla, Ramcharan Bhattacharya
Brassica juncea is a chief oil yielding crop in many parts of the world including India. With advancement of molecular techniques, RT-qPCR based study of gene-expression has become an integral part of experimentations in crop breeding. In RT-qPCR, use of appropriate reference gene(s) is pivotal. The virtue of the reference genes, being constant in expression throughout the experimental treatments, needs to be validated case by case. Appropriate reference gene(s) for normalization of gene-expression data in B...
May 11, 2017: Plant Physiology and Biochemistry: PPB
https://www.readbyqxmd.com/read/28527312/low-energy-electron-potentiometry
#5
Johannes Jobst, Jaap Kautz, Maria Mytiliniou, Rudolf M Tromp, Sense Jan van der Molen
In a lot of systems, charge transport is governed by local features rather than being a global property as suggested by extracting a single resistance value. Consequently, techniques that resolve local structure in the electronic potential are crucial for a detailed understanding of electronic transport in realistic devices. Recently, we have introduced a new potentiometry method based on low-energy electron microscopy (LEEM) that utilizes characteristic features in the reflectivity spectra of layered materials [1]...
May 13, 2017: Ultramicroscopy
https://www.readbyqxmd.com/read/28527221/glutathione-conformations-and-its-implications-for-in-vivo-magnetic-resonance-spectroscopy
#6
Pravat K Mandal, Deepika Shukla, Varan Govind, Yves Boulard, Lars Ersland
Glutathione (GSH) is a major antioxidant in humans that is involved in the detoxification of reactive radicals and peroxides. The molecular structural conformations of GSH depend on the surrounding micro-environment, and it has been experimentally evaluated using NMR and Raman spectroscopic techniques as well as by molecular dynamics simulation studies. The converging report indicates that GSH exists mainly in two major conformations, i.e., "extended" and "folded". The NMR-derived information on the GSH conformers is essential to obtain optimal acquisition parameters in in vivo MRS experiments targeted for GSH detection...
May 17, 2017: Journal of Alzheimer's Disease: JAD
https://www.readbyqxmd.com/read/28526881/biosorption-performance-of-encapsulated-candida-krusei-for-the-removal-of-copper-ii
#7
Chi Him Jim Luk, Joanne Yip, Chun Wah Marcus Yuen, Siu Kwong Pang, Kim Hung Lam, Chi Wai Kan
The use of microorganisms in biosorption is one of the most promising ways to remove trace amounts of heavy metal ions. Nevertheless, the enhancement of the successful removal of heavy metal ions by using different combinations of biosorbents is not generally guaranteed which leaves room to explore the application of the technique. In this study, the performance of free and immobilized forms of a yeast strain, Candida krusei (C. krusei), and calcium alginate (CaAlg) are evaluated for their ability to remove copper(II)...
May 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28526627/dynamic-fatigue-measurement-of-human-erythrocytes-using-dielectrophoresis
#8
Yuhao Qiang, Jia Liu, E Du
Erythrocytes must undergo severe deformation to pass through narrow capillaries and submicronic splenic slits for several hundred thousand times in their normal lifespan. Studies of erythrocyte biomechanics have been mainly focused on cell deformability and rheology measured from a single application of stress and mostly under a static or quasi-static state using classical biomechanical techniques, such as optical tweezers and micropipette aspiration. Dynamic behavior of erythrocytes in response to cyclic stresses that contributes to the membrane failure in blood circulation is not fully understood...
May 16, 2017: Acta Biomaterialia
https://www.readbyqxmd.com/read/28526460/semi-supervised-medical-entity-recognition-a-study-on-spanish-and-swedish-clinical-corpora
#9
Alicia Pérez, Rebecka Weegar, Arantza Casillas, Koldo Gojenola, Maite Oronoz, Hercules Dalianis
OBJECTIVE: The goal of this study is to investigate entity recognition within Electronic Health Records (EHRs) focusing on Spanish and Swedish. Of particular importance is a robust representation of the entities. In our case, we utilized unsupervised methods to generate such representations. METHODS: The significance of this work stands on its experimental layout. The experiments were carried out under the same conditions for both languages. Several classification approaches were explored: maximum probability, CRF, Perceptron and SVM...
May 16, 2017: Journal of Biomedical Informatics
https://www.readbyqxmd.com/read/28525951/perfect-spin-filter-in-a-tailored-zigzag-graphene-nanoribbon
#10
Dawei Kang, Bowen Wang, Caijuan Xia, Haisheng Li
Zigzag graphene nanoribbons (ZGNRs) are expected to serve as the promising component in the all-carbon spintronic device. It remains challenging to fabricate a device based on ZGNRs with high spin-filter efficiency and low experimental complexity. Using density functional theory combined with nonequilibrium Green's function technique, we studied the spin-dependent transport properties of the tailored zigzag graphene nanoribbon. A perfect spin-filtering effect is found in the tailored structure of ZGNR. The nearly 100% spin-polarized current and high magneto-resistance ratio can be obtained by applying a homogeneous magnetic field across the device...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28525826/formation-and-stability-of-manganese-doped-zns-quantum-dot-monolayers-determined-by-qcm-d-and-streaming-potential-measurements
#11
Magdalena Oćwieja, Katarzyna Matras-Postołek, Julia Maciejewska-Prończuk, Maria Morga, Zbigniew Adamczyk, Svitlana Sovinska, Adam Żaba, Marta Gajewska, Tomasz Król, Klaudia Cupiał, Michael Bredol
Manganese-doped ZnS quantum dots (QDs) stabilized by cysteamine hydrochloride were successfully synthesized. Their thorough physicochemical characteristics were acquired using UV-Vis absorption and photoluminescence spectroscopy, X-ray diffraction, dynamic light scattering (DLS), transmission electron microscopy (HR-TEM), energy dispersive spectroscopy (EDS) and Fourier transform infrared (FT-IR) spectroscopy. The average particle size, derived from HR-TEM, was 3.1nm, which agrees with the hydrodynamic diameter acquired by DLS, that was equal to 3-4nm, depending on ionic strength...
May 10, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28524921/adsorption-of-c2-gases-over-ceo2-based-catalysts-synergism-of-cationic-sites-and-anionic-vacancies
#12
Manjusha C Padole, Bhanu P Gangwar, Aman Pandey, Aditi Singhal, Sudhanshu Sharma, Parag A Deshpande
The synthesis of novel and efficient catalysts for acetylene hydrogenation exhibiting high selectivity towards ethylene is important due to the presence of selective acetylene hydrogenation reaction in petrochemical processing. Since adsorption of C2 gases constitutes the primary step in catalytic hydrogenation and governs the selectivity of the catalysts, we have explored the C2-adsorption potential of reducible CeO2-based systems. The adsorption of C2-gases over CeO2-based materials was assessed using experimental in situ spectroscopic techniques and in silico theoretical studies based on density functional theory...
May 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28524662/x-ray-emission-spectroscopy-of-biomimetic-mn-coordination-complexes
#13
Scott C Jensen, Katherine M Davis, Brendan T Sullivan, Daniel A Hartzler, Gerald T Seidler, Diego M Casa, Elina Kasman, Hannah E Colmer, Allyssa A Massie, Timothy A Jackson, Yulia N Pushkar
Understanding the function of Mn ions in biological and chemical redox catalysis requires precise knowledge of their electronic structure. X-ray emission spectroscopy (XES) is an emerging technique with growing application to biological and biomimetic systems. Here, we report an improved, cost-effective spec-trometer used to analyze two biomimetic coordination compounds: [MnIV(OH)2(Me2EBC)]2+ and [MnIV(O)(OH)(Me2EBC)]+, the second of which contains a key MnIV=O structural fragment. Despite having the same formal oxidation state (MnIV) and tetradentate ligands, XES spectra from these two compounds demonstrate different electronic structures...
May 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28524206/co2-adsorption-on-different-organo-modified-sba-15-silicas-a-multidisciplinary-study-on-the-effects-of-basic-surface-groups
#14
G Gatti, D Costenaro, C Vittoni, G Paul, V Crocellà, E Mangano, S Brandani, S Bordiga, M Cossi, L Marchese, C Bisio
Hybrid organic-inorganic SBA-15 silicas functionalized with increasing amounts of amino groups were studied in this work aiming to evaluate the effects of their physico-chemical properties on CO2 capture ability. Three different amino-silane species were used: 3-aminopropyltriethoxysilane (APTS), 3-(2-aminoethyl)aminopropyltrimethoxysilane (EAPTS) and 3-[2-(2-aminoethyl)aminoethyl] aminopropyltrimethoxysilane (PAPTS). More specifically, samples were prepared by using two methods, following a post-synthesis grafting procedure and a one-pot preparation method...
May 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28523936/experimental-spectroscopic-studies-of-carbon-monoxide-co-fluorescence-at-high-temperatures-and-pressures
#15
Olivier Carrivain, Mikael Orain, Nelly Dorval, Celine Morin, Guillaume Legros
Two-photon excitation laser-induced fluorescence of carbon monoxide (CO-LIF) is investigated experimentally in order to determine the applicability of this technique for imaging CO concentration in aeronautical combustors. Experiments are carried out in a high temperature, high-pressure test cell, and in a laminar premixed CH4/air flame. Influence of temperature and pressure on CO-LIF spectra intensity and shape is reported. The experimental results show that as pressure increases, the CO-LIF excitation spectrum becomes asymmetric...
January 1, 2017: Applied Spectroscopy
https://www.readbyqxmd.com/read/28523362/transoral-endoscopic-thyroidectomy-our-initial-experience-using-a-new-endoscopic-technique
#16
Jun-Ook Park, Dong-Il Sun
BACKGROUND: A transoral approach has been experimentally introduced to the field of thyroid surgery and several groups in Asia have recently used the technique to treat patients. We performed transoral endoscopic thyroidectomies on patients with thyroid cancer or a benign tumor. METHODS: We reviewed the medical records of patients who underwent transoral endoscopic thyroid surgery between July 2016 and January 2017. A midline incision was made in the vestibule, and a 10 mm cannula was placed; then, the working space was widened by insufflating CO2 at a pressure of 5-6 mmHg...
May 18, 2017: Surgical Endoscopy
https://www.readbyqxmd.com/read/28523289/core-canonical-pathways-involved-in-developing-human-glioblastoma-multiforme-gbm
#17
Somiranjan Ghosh, Sisir Dutta, Gabriel Thorne, Ava Boston, Alexis Barfield, Narendra Banerjee, Rayshawn Walker, Hirendra Nath Banerjee
Glioblastoma multiforme (GBM) is the most common and aggressive type of the primary brain tumors with pathologic hallmarks of necrosis and vascular proliferation. The diagnosis of GBM is currently mostly based on histological examination of brain tumor tissues, after radiological characterization and surgical biopsy. The ability to characterize tumors comprehensively at the molecular level raises the possibility that diagnosis can be made based on molecular profiling with or without histological examination, rather than solely on histological phenotype...
February 2017: Int J Sci Res Sci Eng Technol
https://www.readbyqxmd.com/read/28523052/efficacy-of-brow-suspension-with-autogenous-fascia-lata-in-simple-congenital-ptosis
#18
Farhan Ali, Muhammad Saim Khan, Muhammad Sharjeel, Zaheer Ud Din, Bilal Murtaza, Asfandyar Khan
OBJECTIVE: To assess the mean change in interpalpebral fissure height and marginal reflex distance after brow suspension with autogenous fascia lata sling in patients of ptosis. METHODS: This was a Quasi experimental study conducted at Department of Ophthalmology, Mayo Hospital, King Edwards Medical University Lahore, from Jan 2013 to June 2016. Included were the patients who had unilateral or bilateral ptosis with poor levator function (< 5 mm). Informed consent was obtained from all patients after explaining about the research project...
March 2017: Pakistan Journal of Medical Sciences Quarterly
https://www.readbyqxmd.com/read/28522820/microstructures-mechanical-behavior-and-strengthening-mechanism-of-tisicn-nanocomposite-films
#19
Wei Li, Ping Liu, Zenghui Xue, Fengcang Ma, Ke Zhang, Xiaohong Chen, Rui Feng, Peter K Liaw
Currently, the arguments have existed in the strengthening mechanism and microstructural model of the nanocomposite film due to lack of the convincible experimental evidences. In this investigation, the quarternary TiSiCN nanocomposite films with the different C and Si contents are synthesized by the reactive-magnetron-sputtering technique. The TiSiCN film is characterized as the nanocomposite structure with the TiN nanocrystallites surrounded by the (Si3N4 + C + CNx) interface phase. When the C/Si content ratio is 2:2, the TiSiCN nanocomposite film is remarkably strengthened with the maximal hardness and elastic modulus of 46...
May 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28521879/a-quick-simple-method-for-detecting-circulating-fluorescent-advanced-glycation-end-products-correlation-with-in-vitro-and-in-vivo-non-enzymatic-glycation
#20
Marika Villa, Mariacristina Parravano, Arianna Micheli, Lucia Gaddini, Andrea Matteucci, Cinzia Mallozzi, Francesco Facchiano, Fiorella Malchiodi-Albedi, Flavia Pricci
OBJECTIVE: Advanced glycation end-products (AGEs) constitute a highly heterogeneous family of compounds, relevant in the pathogenesis of diabetic complications, which could represent efficient biomarkers of disease progression and drug response. Unfortunately, due to their chemical heterogeneity, no method has been validated to faithfully monitor their levels in the course of the disease. In this study, we refine a procedure to quantitatively analyze fluorescent AGEs (fAGEs), a subset considered remarkably representative of the entire AGE family, and measure them in in vitro glycated BSA (gBSA) and in plasma and vitreous of diabetic rats, for testing its use to possibly quantify circulating AGEs in patients, as markers of metabolic control...
June 2017: Metabolism: Clinical and Experimental
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