keyword
MENU ▼
Read by QxMD icon Read
search

Spectroscopy

keyword
https://www.readbyqxmd.com/read/27914049/modeling-binding-affinity-of-pathological-mutations-for-computational-protein-design
#1
Miguel Romero-Durana, Chiara Pallara, Fabian Glaser, Juan Fernández-Recio
An important aspect of protein functionality is the formation of specific complexes with other proteins, which are involved in the majority of biological processes. The functional characterization of such interactions at molecular level is necessary, not only to understand biological and pathological phenomena but also to design improved, or even new interfaces, or to develop new therapeutic approaches. X-ray crystallography and NMR spectroscopy have increased the number of 3D protein complex structures deposited in the Protein Data Bank (PDB)...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27914018/encapsulation-of-%C3%AE-sitosterol-in-polyurethane-by-sol-gel-electrospinning
#2
Musarat Amina, Touseef Amna, Nawal Al-Musayeib, Sami A Zabin, M Shamshi Hassan, Myung-Seob Khil
Pristine β-sitosterol or in combination with other phytosterols is utilized in an array of enriched commercial foods. Considering the presence of β-sitosterol in different functional foods and its potential role in prevention and cure of neurodegenerative diseases, the aims of our investigation were to encapsulate β-sitosterol in nanofibers and to estimate influence of β-sitosterol on proliferation of fibroblasts. Electrospun nanofibers have widely been used as scaffolds to mimic natural extracellular matrix...
December 2, 2016: Applied Biochemistry and Biotechnology
https://www.readbyqxmd.com/read/27913993/antifreeze-glycopeptides-from-structure-and-activity-studies-to-current-approaches-in-chemical-synthesis
#3
REVIEW
Małgorzata Urbańczyk, Jerzy Góra, Rafał Latajka, Norbert Sewald
Antifreeze glycopeptides (AFGPs) are a class of biological antifreeze agents found predominantly in Arctic and Antarctic species of fish. They possess the ability to regulate ice nucleation and ice crystal growth, thus creating viable life conditions at temperatures below the freezing point of body fluids. AFGPs usually consist of 4-55 repetitions of the tripeptide unit Ala-Ala-Thr that is O-glycosylated at the threonine side chains with β-D-galactosyl-(1 → 3)-α-N-acetyl-D-galactosamine. Due to their interesting properties and high antifreeze activity, they have many potential applications, e...
December 2, 2016: Amino Acids
https://www.readbyqxmd.com/read/27913885/effect-of-sensor-location-on-regional-cerebral-oxygen-saturation-measured-by-invos-5100-in-on-pump-cardiac-surgery
#4
Ah-Reum Cho, Jae-Young Kwon, Choongrak Kim, Jung-Min Hong, Christine Kang
PURPOSE: Near-infrared spectroscopy sensors often cannot be attached at the commercially recommended locations because combined use of neurological monitoring systems is common during on-pump cardiac surgery. The primary purpose of this study was to compare the incidence of regional cerebral oxygen desaturation and regional cerebral oxygen saturation values detected using near-infrared spectroscopy between the upper and lower forehead during on-pump cardiac surgery. METHODS: A prospective observational study was conducted with 25 adult patients scheduled for elective on-pump cardiac surgery...
December 2, 2016: Journal of Anesthesia
https://www.readbyqxmd.com/read/27913182/virtual-screening-and-biophysical-studies-lead-to-hsp90-inhibitors
#5
Renjie Huang, Daniel M Ayine-Tora, M Nasri Muhammad Rosdi, Yu Li, Jóhannes Reynisson, Ivanhoe K H Leung
Heat shock protein 90 (HSP90) is a molecular chaperone that plays important functional roles in cells. The chaperone activity of HSP90 is regulated by the hydrolysis of ATP at the protein's N-terminal domain. HSP90, in particular the N-terminal domain, is a current inhibition target for therapeutic treatments of cancers. This paper describes an application of virtual screening, thermal shift assaying and protein NMR spectroscopy leading to the discovery of HSP90 inhibitors that contain the resorcinol structure...
November 23, 2016: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/27913172/efficient-catalytic-system-for-the-direct-transformation-of-lignocellulosic-biomass-to-furfural-and-5-hydroxymethylfurfural
#6
Luxin Zhang, Guoyun Xi, Jiaxin Zhang, Hongbing Yu, Xiaochang Wang
A feasible approach was developed for the co-production of 5-hydroxymethylfurfural (5-HMF) and furfural from corncob via a new porous polytriphenylamine-SO3H (SPTPA) solid acid catalyst in lactone solvents. XRD, SEM, XPS, N2 adsorption-desorption, elemental analysis, TG-DTA, acid-base titration and FTIR spectroscopy techniques were used to characterize the catalyst. This study demonstrates and optimizes the catalytic performance of SPTPA and solvent selection. SPTPA was found to exhibit superior catalytic ability in γ-valerolactone (GVL)...
November 25, 2016: Bioresource Technology
https://www.readbyqxmd.com/read/27913171/effects-of-hydraulic-retention-time-hrt-on-denitrification-using-waste-activated-sludge-thermal-hydrolysis-liquid-and-acidogenic-liquid-as-carbon-sources
#7
Yiding Guo, Liang Guo, Mei Sun, Yangguo Zhao, Mengchun Gao, Zonglian She
Waste activated sludge (WAS) internal carbon source can efficiently and economically enhance denitrification, and hydraulic retention time (HRT) is one of the most important operational parameters for denitrification. The effects of HRT on denitrification were investigated with WAS thermal hydrolysis liquid and acidogenic liquid as carbon sources in this study. The optimal HRT was 12h for thermal hydrolysis liquid and 8h for acidogenic liquid, with NO3(-)-N removal efficiency of 91.0% and 97.6%, respectively...
November 15, 2016: Bioresource Technology
https://www.readbyqxmd.com/read/27913061/study-of-visible-light-activated-polymerization-in-bisgma-tegdma-monomers-with-type-1-and-type-2-photoinitiators-using-raman-spectroscopy
#8
Tritala K Vaidyanathan, Jayalakshmi Vaidyanathan, Pambadikandathil Philipose Lizymol, Saraswathy Ariya, Kalliyana Venketeswaran Krishnan
OBJECTIVE: The goal of the study was to characterize the efficiency of polymerization of Type 1 and Type 2 initiators for visible light cure of a BisGMA-TEGDMA monomer mixture. METHODS: Raman spectroscopy was used to follow conversion during polymerization of a BisGMA-TEGDMA mixture using a Type I photoinitiator diphenyl(2,4,6 dimethylbenzoyl)phosphine oxide (TPO) and a Type II photoinitiator camphorquinone (CQ) and an amine, both initiators at 0.5wt.%. Different light exposure times and storage times after light curing were used as variables...
November 29, 2016: Dental Materials: Official Publication of the Academy of Dental Materials
https://www.readbyqxmd.com/read/27913014/characterizations-of-atmospheric-particulate-bound-mercury-in-the-kathmandu-valley-of-nepal-south-asia
#9
Junming Guo, Shichang Kang, Jie Huang, Qianggong Zhang, Maheswar Rupakheti, Shiwei Sun, Lekhendra Tripathee, Dipesh Rupakheti, Arnico K Panday, Mika Sillanpää, Rukumesh Paudyal
The Kathmandu Valley, located in the Himalayan foothills in Nepal, is heavily polluted. In order to investigate ambient particulate-bound mercury (Hg) in the Kathmandu Valley, a total 64 total suspended particulates (TSP) samples were collected from a sub-urban site in the Kathmandu Valley, the capital region of Nepal during a sampling period of an entire year (April 2013-April 2014). They were analyzed for ambient particulate-bound Hg (PBM) using thermal desorption combined with cold vapor atomic spectroscopy...
November 30, 2016: Science of the Total Environment
https://www.readbyqxmd.com/read/27912185/sorption-of-vanadium-v-onto-natural-soil-colloids-under-various-solution-ph-and-ionic-strength-conditions
#10
Xiuhua Luo, Lin Yu, Changzhao Wang, Xianqiang Yin, Ahmed Mosa, Jialong Lv, Huimin Sun
Batch sorption kinetics and isothermal characteristics of V(V) were investigated on three natural soil colloids (manual loessial soil colloid (MSC), aeolian sandy soil colloid (ASC), and cultivated loessial soil colloid (CSC)) under various solution pH and ionic strength (IS) conditions. Colloids were characterized by atomic force microscopy (AFM), X-ray diffraction (XRD), and fourier transform infrared spectroscopy (FTIR). AFM micrographs showed CSC with an aggregated shape with larger particle diameter as compared with ASC and MSC...
November 29, 2016: Chemosphere
https://www.readbyqxmd.com/read/27912177/raman-spectroscopy-and-quantum-mechanical-analysis-of-tautomeric-forms-in-cytosine-and-5-methylcytosine-on-gold-surfaces
#11
Dinh Bao Nguyen, Thanh Danh Nguyen, Sangsoo Kim, Sang-Woo Joo
Spectral differences between cytosine (Cyt) and 5-methylcytosine (5MC) were investigated by means of Raman spectroscopy with a combination of density functional theory (DFT) calculations. Surface-enhanced Raman scattering (SERS) revealed discriminating peaks of 5MC from those of Cyt upon adsorption on gold nanoparticles (AuNPs). Among the notable features, the multiple bands between 850 and 700cm(-1) for the ring-breathing modes of 5MC and Cyt could be correlated well with the simulated spectra based on the DFT calculations of the adsorbates on the gold cluster atoms...
November 9, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/27912168/tensor-resolved-raman-spectroscopic-analysis-of-wear-induced-residual-stress-fields-in-long-term-alumina-hip-joint-retrievals
#12
Wenliang Zhu, Elia Marin, Nobuhiko Sugano, Giuseppe Pezzotti
Polarized Raman spectroscopy was applied to evaluate the full set of stress tensor components in the wear-induced residual stress fields on two long-term (>20 y) (monolithic) alumina (Al2O3) femoral head retrievals coupled to polyethylene liners. The tensor-resolved residual stress state stored onto the Al2O3 ceramic head surface was found to retain "memory" of the sliding conditions in vivo and of the wear-induced consumption of the polyethylene counterpart. The evolution of tensor-resolved residual stress motifs in the three-dimensional space was examined, and key features, including exceptionally high shear stresses in one case, were uncovered...
November 20, 2016: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/27912140/characterization-of-the-cleaved-edge-cross-section-of-the-heterostructures-with-gamnas-layer-by-the-confocal-micro-raman-spectroscopy
#13
A V Kudrin, S M Plankina, O V Vikhrova, A V Nezhdanov, A I Mashin, Yu N Drozdov, A V Shvetsov
Confocal micro-Raman spectroscopy was used to measure cross-section linescans of the cleaved edge of heterostructures involving a GaMnAs layer. The investigations revealed a shift of the TO mode in the compressed GaMnAs layer to high frequencies relative to the TO GaAs mode in the substrate and to low frequencies in the tensile GaMnAs layers. These results are in agreement with the different manifestations of the anomalous Hall effect in the GaMnAs layers, with either compressive or tensile strains. It is shown that Raman spectroscopy is an appropriate method for the investigation of cross-sectional semiconductor heterostructures whose total thickness is comparable to the size of the analyzing laser spot...
November 21, 2016: Micron: the International Research and Review Journal for Microscopy
https://www.readbyqxmd.com/read/27912123/synthesis-of-hierarchical-porous-zinc-oxide-zno-microspheres-with-highly-efficient-adsorption-of-congo-red
#14
Chunsheng Lei, Meng Pi, Chuanjia Jiang, Bei Cheng, Jiaguo Yu
Hierarchical porous zinc oxide (ZnO) was successfully synthesized via a facile hydrothermal method followed by calcination, and characterized by X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy, nitrogen adsorption-desorption, and Fourier transform infrared spectroscopy analyses. The as-prepared porous ZnO exhibits microsphere morphologies with diameters of 6-8μm, which are assembled from two-dimensional nanosheets. The as-prepared hierarchical porous ZnO microspheres possessed high specific surface areas (57m(2)/g), and were evaluated for adsorption of Congo red (CR) in aqueous solution...
November 15, 2016: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/27912082/low-dimensional-compounds-containing-bioactive-ligands-part-viii-dna-interaction-antimicrobial-and-antitumor-activities-of-ionic-5-7-dihalo-8-quinolinolato-palladium-ii-complexes-with-k-and-cs-cations
#15
Veronika Farkasová, Sayed Ali Drweesh, Andrea Lüköová, Danica Sabolová, Ivana D Radojević, Ljiljana R Čomić, Sava M Vasić, Helena Paulíková, Stanislav Fečko, Tatiana Balašková, Mária Vilková, Ján Imrich, Ivan Potočňák
Starting from well-defined NH2(CH3)2[PdCl2(XQ)] complexes, coordination compounds of general formula Cat[PdCl2(XQ)] have been prepared by cationic exchange of NH2(CH3)2(+) and Cat cations, where XQ are biologically active halogen derivatives of quinolin-8-ol (5-chloro-7-iodo-quinolin-8-ol (CQ), 5,7-dibromo-quinolin-8-ol (dBrQ) and 5,7-dichloro-quinolin-8-ol (dClQ)) and Cat is K(+) or Cs(+). The cation exchange of all prepared complexes, K[PdCl2(CQ)] (1), K[PdCl2(dClQ)] (2), K[PdCl2(dBrQ)] (3), Cs[PdCl2(CQ)] (4), Cs[PdCl2(dClQ)] (5) and Cs[PdCl2(dBrQ)] (6) was approved using IR spectroscopy, their structures in DMSO solution were elucidated by one- and two-dimensional NMR experiments, whereas their stability in solution was verified by UV-VIS spectroscopy...
November 16, 2016: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/27912028/formation-and-persistence-of-brine-on-mars-experimental-simulations-throughout-the-diurnal-cycle-at-the-phoenix-landing-site
#16
E Fischer, G M Martínez, N O Rennó
In the last few years, water ice and salts capable of melting this ice and producing liquid saline water (brine) have been detected on Mars. Moreover, indirect evidence for brine has been found in multiple areas of the planet. Here, we simulate full diurnal cycles of temperature and atmospheric water vapor content at the Phoenix landing site for the first time and show experimentally that, in spite of the low Mars-like chamber temperature, brine forms minutes after the ground temperature exceeds the eutectic temperature of salts in contact with water ice...
December 2, 2016: Astrobiology
https://www.readbyqxmd.com/read/27911885/ambient-pressure-photoelectron-spectroscopy-practical-considerations-and-experimental-frontiers
#17
Lena Trotochaud, Ashley R Head, Osman Karslıoğlu, Line Kyhl, Hendrik Bluhm
Over the past several decades, ambient pressure x-ray photoelectron spectroscopy (APXPS) has emerged as a powerful technique for in situ and operando investigations of chemical reactions under relevant ambient atmospheres far from ultra-high vacuum conditions. This review focuses on exemplary cases of APXPS experiments, giving special consideration to experimental techniques, challenges, and limitations specific to distinct condensed matter interfaces. We discuss APXPS experiments on solid/vapor interfaces, including the special case of 2D films of graphene and hexagonal boron nitride on metal substrates with intercalated gas molecules, liquid/vapor interfaces, and liquid/solid interfaces, which are a relatively new class of interfaces being probed by APXPS...
December 2, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/27911884/desorption-of-water-from-hydrophilic-mcm-41-mesopores-positron-annihilation-ftir-and-md-simulation-studies
#18
Priya Maheshwari, D Dutta, T Muthulakshmi, B Chakraborty, N Raje, P K Pujari
The desorption mechanism of water from the hydrophilic mesopores of MCM-41 was studied using positron annihilation lifetime spectroscopy (PALS) and attenuated total reflection Fourier transform infrared spectroscopy supplemented with molecular dynamics (MD) simulation. PALS results indicated that water molecules do not undergo sequential evaporation in a simple layer-by-layer manner during desorption from MCM-41 mesopores. The results suggested that the water column inside the uniform cylindrical mesopore become stretched during desorption and induces cavitation (as seen in the case of ink-bottle type pores) inside it, keeping a dense water layer at the hydrophilic pore wall, as well as a water plug at both the open ends of the cylindrical pore, until the water was reduced to a certain volume fraction where the pore catastrophically empties...
December 2, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/27911879/interface-electronic-structure-at-the-topological-insulator-ferrimagnetic-insulator-junction
#19
Y Kubota, K Murata, J Miyawaki, K Ozawa, M C Onbasli, T Shirasawa, B Feng, Sh Yamamoto, R-Y Liu, S Yamamoto, S K Mahatha, P Sheverdyaeva, P Moras, C A Ross, S Suga, Y Harada, K L Wang, I Matsuda
An interface electron state at the junction between a three-dimensional topological insulator film, Bi2Se3, and a ferrimagnetic insulator film, Y3Fe5O12 (YIG), was investigated by measurements of angle-resolved photoelectron spectroscopy and x-ray absorption magnetic circular dichroism. The surface state of the Bi2Se3 film was directly observed and localized 3d spin states of the Fe(3+) in the YIG film were confirmed. The proximity effect is likely described in terms of the exchange interaction between the localized Fe 3d electrons in the YIG film and delocalized electrons of the surface and bulk states in the Bi2Se3 film...
December 2, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/27911799/mechanism-of-the-intrinsic-arginine-finger-in-heterotrimeric-g-proteins
#20
Daniel Mann, Christian Teuber, Stefan A Tennigkeit, Grit Schröter, Klaus Gerwert, Carsten Kötting
Heterotrimeric G proteins are crucial molecular switches that maintain a large number of physiological processes in cells. The signal is encoded into surface alterations of the Gα subunit that carries GTP in its active state and GDP in its inactive state. The ability of the Gα subunit to hydrolyze GTP is essential for signal termination. Regulator of G protein signaling (RGS) proteins accelerates this process. A key player in this catalyzed reaction is an arginine residue, Arg178 in Gαi1, which is already an intrinsic part of the catalytic center in Gα in contrast to small GTPases, at which the corresponding GTPase-activating protein (GAP) provides the arginine "finger...
November 28, 2016: Proceedings of the National Academy of Sciences of the United States of America
keyword
keyword
10934
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"