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https://www.readbyqxmd.com/read/27933695/multiconfigurational-effects-in-theoretical-resonance-raman-spectra
#1
Yingjin Ma, Stefan Knecht, Markus Reiher
We analyze resonance Raman spectra of the nucleobase uracil in the short-time approximation calculated with multiconfigurational methods. We discuss the importance of static electron correlation by means of density-matrix renormalization group self-consistent field (DMRG-SCF) calculations. Our DMRG-SCF results reveal that a minimal active orbital space that leads to a qualitatively correct description of the resonance Raman spectrum of uracil should encompass parts of the $\sigma/\sigma^{\ast}$ bonding/anti-bonding orbitals of the pyrimidine ring...
December 8, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/27933484/dna-as-a-target-for-anticancer-phen-imidazole-pd-ii-complexes
#2
Maryam Heydari, Mahboube Eslami Moghadam, AliAkbar Tarlani, Hossein Farhangian
Imidazole ring is a known structure in many natural or synthetic drug molecules and its metal complexes can interact with DNA and do the cleavage. Hence, to study the influence of the structure and size of the ligand on biological behavior of metal complexes, two water-soluble Pd(II) complexes of phen and FIP ligands (where phen is 1,10-phenanthroline and FIP is 2-(Furan-2-yl)-1H-Imidazo[4,5-f][1, 10]phenanthroline) with the formula of [Pd(phen)(FIP)](NO3)2 and [Pd(FIP)2]Cl2, that were activated against chronic myelogenous leukemia cell line, K562, were selected...
December 8, 2016: Applied Biochemistry and Biotechnology
https://www.readbyqxmd.com/read/27933422/dual-mobility-cups-in-revision-total-hip-arthroplasty
#3
Anthony Viste, Romain Desmarchelier, Michel-Henri Fessy
AIM: The purpose of our study was to evaluate the dislocation and aseptic loosening rates of a dual mobility construct in revision total hip arthroplasty (THA). METHODS: Three hundred thirty-four revision THAs performed between 2006 and 2011, using a dual mobility cup, were included in this retrospective study. The indications for revision were aseptic loosening (70%), infection (21%) and recurrent instability (9%). The minimum follow-up was five years (mean 7 ± 2 years, maximum 10 years)...
December 8, 2016: International Orthopaedics
https://www.readbyqxmd.com/read/27933322/silicone-disclosing-material-used-after-ceramic-surface-treatment-reduces-bond-strength
#4
Sara Fraga, Sara Cioccari Oliveira, Gabriel Kalil Rocha Pereira, Pieter Beekman, Marília Pivetta Rippe, Cornelis J Kleverlaan
PURPOSE: To evaluate the effect of a silicone disclosing procedure performed at different timepoints on the shear bond strength (SBS) of cements (self-adhesive composite cement, self-etch composite cement, resin-reinforced glass-ionomer cement) to different substrates (zirconia, lithium disilicate, bovine dentin). MATERIALS AND METHODS: The substrate/cement combinations were assigned to two groups (n = 15) according to the timepoint, at which the vinyl polyether silicone disclosing agent was applied: after (experimental groups, EXP) or before (control groups, CTRL) specific micromechanical treatments of the substrate surface...
December 8, 2016: Journal of Adhesive Dentistry
https://www.readbyqxmd.com/read/27933260/use-of-a-10-22%C3%A2-m-diameter-epb-shield-a-case-study-in-beijing-subway-construction
#5
Xinggao Li, Dajun Yuan, Yuhai Guo, Zhiyong Cai
INTRODUCTION: Beijing subway line 14 includes four stations and approximately 2.8 km of tunnels between the Dongfengbeiqiao and Jingshunlu areas of the city. Due to the surface and underground space limitations of this section, a double-track running tunnel instead of two single-track running tunnels was adopted to connect the two stations. The double-track tunnels were excavated by a 10.22 m diameter earth pressure balance (EPB) shield. It was the first time that an EPB shield more than 10 m in diameter was used in Beijing subway construction...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933259/deformity-correction-and-extremity-lengthening-in-the-lower-leg-comparison-of-clinical-outcomes-with-two-external-surgical-procedures
#6
Eugen Reitenbach, Robert Rödl, Georg Gosheger, Björn Vogt, Frank Schiedel
OBJECTIVE: Distraction osteogenesis is a method of stimulating the growth of new bone tissue in order to lengthen the extremities or bridge resected bone defects. In addition to the now-established intramedullary procedures, two different fixator systems are in use. The present study investigated the classical Ilizarov ring fixator (IRF) and a hexapod to assess the precision of lower-leg lengthening and complications classified using the Paley criteria for problems, obstacles, and complications...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933251/robust-image-hashing-using-ring-partition-pgnmf-and-local-features
#7
Ram Kumar Karsh, R H Laskar, Bhanu Bhai Richhariya
BACKGROUND: Image authentication is one of the challenging research areas in the multimedia technology due to the availability of image editing tools. Image hash may be used for image authentication which should be invariant to perceptually similar image and sensitive to content changes. The challenging issue in image hashing is to design a system which simultaneously provides rotation robustness, desirable discrimination, sensitivity and localization of forged area with minimum hash length...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933220/a-novel-method-for-quantitative-serial-autofluorescence-analysis-in-retinitis-pigmentosa-using-image-characteristics
#8
Jasleen K Jolly, Siegfried K Wagner, Jonathan Moules, Florian Gekeler, Andrew R Webster, Susan M Downes, Robert E MacLaren
PURPOSE: Identifying potential biomarkers for disease progression in retinitis pigmentosa (RP) is highly relevant now that gene therapy and other treatments are in clinical trial. Here we report a novel technique for analysis of short-wavelength autofluorescence (AF) imaging to quantify defined regions of AF in RP patients. METHODS: Fifty-five-degree AF images were acquired from 12 participants with RP over a 12-month period. Of these, five were identified as having a hyperfluorescent annulus...
December 2016: Translational Vision Science & Technology
https://www.readbyqxmd.com/read/27933217/poly-isoprenecarboxylates-from-glucose-via-anhydromevalonolactone
#9
Nicolas R Ball-Jones, Grant W Fahnhorst, Thomas R Hoye
A short and efficient synthesis of a series of isoprenecarboxylic acid esters (ICAEs) and their corresponding polymers is presented. The base-catalyzed eliminative ring-opening of anhydromevalonolactone (3) provides isoprenecarboxylic acid (6-H), which was further transformed to the ICAEs. Reversible addition-fragmentation chain-transfer (RAFT) polymerization was used to synthesize high molecular weight (>100 kg mol(-1)) poly(isoprenecarboxylates) with dispersities (Đ) of ca. 1.5. The glass transition temperatures (Tg) and entanglement molecular weights (Me) of the poly(isoprenecarboxylates) were determined and showed similar trends to the Tg and Me values for analogous poly(acrylate esters)...
October 18, 2016: ACS Macro Letters
https://www.readbyqxmd.com/read/27933139/the-neuromuscular-system-of-pycnophyes-kielensis-kinorhyncha-allomalorhagida-investigated-by-confocal-laser-scanning-microscopy
#10
Andreas Altenburger
BACKGROUND: Kinorhynchs are ecdysozoan animals with a phylogenetic position close to priapulids and loriciferans. To understand the nature of segmentation within Kinorhyncha and to infer a probable ancestry of segmentation within the last common ancestor of Ecdysozoa, the musculature and the nervous system of the allomalorhagid kinorhynch Pycnophyes kielensis were investigated by use of immunohistochemistry, confocal laser scanning microscopy, and 3D reconstruction software. RESULTS: The kinorhynch body plan comprises 11 trunk segments...
2016: EvoDevo
https://www.readbyqxmd.com/read/27932461/structural-characterization-and-ligand-inhibitor-identification-provide-functional-insights-into-the-mycobacterium-tuberculosis-cytochrome-p450-cyp126a1
#11
Jude T Chenge, Duyet Van Le, Shalini Swami, Kirsty J McLean, Madeline E Kavanagh, Anthony G Coyne, Stephen E J Rigby, Myles R Cheesman, Hazel M Girvan, Colin W Levy, Bernd Rupp, Jens P von Kries, Chris Abell, David Leys, Andrew W Munro
The Mycobacterium tuberculosis (Mtb) H37Rv genome encodes 20 cytochromes P450, including P450s crucial to infection and bacterial viability. Many Mtb P450s remain uncharacterized, suggesting their further analysis may provide new insights into Mtb metabolic processes and new targets for drug discovery. CYP126A1 is representative of a P450 family widely distributed in mycobacteria and other bacteria. Here we explore the biochemical and structural properties of CYP126A1, including its interactions with new chemical ligands...
December 8, 2016: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/27932442/contraceptive-sales-in-the-setting-of-the-zika-virus-epidemic
#12
Luis Bahamondes, Moazzam Ali, Ilza Monteiro, Arlete Fernandes
STUDY QUESTION: Has there been any influence of the Zika virus (ZIKV) outbreak on the sales of contraceptive methods in Brazil? SUMMARY ANSWER: Contraceptive sales in the 24 months of evaluation showed little variation and no significant change has been observed since the ZIKV outbreak. WHAT IS KNOWN ALREADY: Transmission of ZIKV is primarily by Aedes aegypti mosquitoes; however, sexual transmission has also been described. The association of several birth defects and the ZIKV infection during pregnancy has been established, and it was estimated in Bahia, Brazil that the infection rate could range from 10% to 80%...
December 7, 2016: Human Reproduction
https://www.readbyqxmd.com/read/27932040/embryonic-exposure-to-model-naphthenic-acids-delays-growth-and-hatching-in-the-pond-snail-lymnaea-stagnalis
#13
Christina U Johnston, Lindsay N Clothier, Dean M Quesnel, Lisa M Gieg, Gordon Chua, Petra M Hermann, Willem C Wildering
Naphthenic acids (NAs), a class of structurally diverse carboxylic acids with often complex ring structures and large aliphatic tail groups, are important by-products of many petrochemical processes including the oil sands mining activity of Northern Alberta. While it is evident that NAs have both acute and chronic harmful effects on many organisms, many aspects of their toxicity remain to be clarified. Particularly, while substantive data sets have been collected on NA toxicity in aquatic prokaryote and vertebrate model systems, to date, nothing is known about the toxic effects of these compounds on the embryonic development of aquatic invertebrate taxa, including freshwater mollusks...
December 5, 2016: Chemosphere
https://www.readbyqxmd.com/read/27931719/a-potential-pitfall-in-evaluating-her2-immunohistochemistry-for-gastric-signet-ring-cell-carcinomas
#14
Chang Gok Woo, Won Jin Ho, Young Soo Park, Sook Ryun Park, Min-Hee Ryu, Hwoon-Yong Jung, Yoon-Koo Kang
Signet ring cell carcinoma (SRC) more commonly presents as metastatic disease and renders patients to be considered for chemotherapy. While treatment options are limited overall, trastuzumab has been shown to be effective for HER2 positive SRC cases. The current algorithm for HER2 evaluation heavily relies on positive membrane-specific staining by immunohistochemistry (IHC), but several anecdotal reports have suggested that SRCs may be susceptible to misinterpretation due to non-specific staining in the marginated cytoplasm with/without nucleus...
December 5, 2016: Pathology
https://www.readbyqxmd.com/read/27931614/gla-ring-opportunities-and-challenges-for-fabry-disease
#15
EDITORIAL
Daniel P Judge, Ike S Okwuosa, Albert A Hagège
No abstract text is available yet for this article.
December 13, 2016: Journal of the American College of Cardiology
https://www.readbyqxmd.com/read/27931108/caustic-esophageal-injury-by-impaction-of-cell-batteries
#16
Francisco José García Fernández, Rafael León Montañés, Juan Manuel Bozada Garcia
The ingestion of cell batteries can cause serious complications (fistula, perforation or stenosis) at the esophageal level. The damage starts soon after ingestion (approximately 2 hours) and is directly related to the amount of time the battery is lodged in said location, the amount of electrical charge remaining in the battery, and the size of the battery itself. Injury is produced by the combination of electrochemical and chemical mechanisms and pressure necrosis. The ingestion of multiple cells and a size > = 20 mm are related with more severe and clinically significant outcomes...
December 2016: Revista Española de Enfermedades Digestivas
https://www.readbyqxmd.com/read/27930884/the-effect-of-branching-star-architecture-on-poly-d-l-lactide-pdlla-degradation-and-drug-delivery
#17
Jason Burke, Roberto Donno, Richard d'Arcy, Sarah Cartmell, Nicola Tirelli
This study focuses on the comparative evaluation of star (branched) and linear poly(L,D-lactic acid) (PDLLA) as degradable materials employed in controlled release. The polymers were prepared via ring-opening polymerization initiated by decanol (linear), pentaerythritol (4-armed star) and dipentaerythritol (6-armed star), and processed both in the form of films and nanoparticles. Independently on the length or number of their arms, star polymers degrade slower than linear polymers, possibly through a surface (vs...
December 8, 2016: Biomacromolecules
https://www.readbyqxmd.com/read/27930819/theoretical-study-addressing-the-effects-of-tautomerism-and-explicit-implicit-water-molecules-on-nqr-and-nmr-parameters-of-tetrazole-5-thione
#18
Arezoo Tahan
DFT/B3LYP calculations were employed to study the effects of tautomerism and explicit/implicit water molecules on Nuclear Quadrupole Resonance (NQR) and Nuclear Magnetic Resonance (NMR) tensors of nitrogen nuclei in tetrazole-5-thione structure. The obtained results revealed that nuclear quadrupole coupling constant (χ) and isotropic chemical shielding (σiso ) values of nitrogen nuclei in tetrazole ring of five possible tautomeric forms of tetrazole-5-thione, i.e. two thione forms called tautomers A and E and three thiol forms called tautomers B, C, and D, were functions of resonance energy(E2 ) values of nitrogen lone pairs...
December 8, 2016: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/27930793/intracorneal-ring-segments-implantation-for-corneal-ectasia
#19
Natalia T Giacomin, Glauco R Mello, Carla S Medeiros, Alyin Kiliç, Cristine C Serpe, Hirlana G Almeida, Newton Kara-Junior, Marcony R Santhiago
PURPOSE: To provide an overview of the predictability, safety, and efficacy of intrastromal corneal ring segment (ICRS) implantation as a tool to improve visual acuity and its association with other techniques such as corneal collagen cross-linking (CXL), addressing biomechanical outcomes, models, surgical planning and technique, indications, contraindications, and complications in ectatic corneas. METHODS: Literature review. RESULTS: ICRSs have been used to regularize the corneal shape and reduce corneal astigmatism and higher order aberrations, improve visual acuity to acceptable limits, and delay, or eventually prevent, a corneal keratoplasty in keratoconic eyes...
December 1, 2016: Journal of Refractive Surgery
https://www.readbyqxmd.com/read/27930537/hypervascularity-is-more-frequent-in-medullary-thyroid-carcinoma-compared-with-papillary-thyroid-carcinoma
#20
Xingjian Lai, Meijuan Liu, Yu Xia, Liang Wang, Yalan Bi, Xiaoyi Li, Bo Zhang, Meng Yang, Qing Dai, Yuxin Jiang
This study was designed to retrospectively compare the sonographic features of medullary thyroid carcinoma (MTC) and the features of papillary thyroid carcinoma (PTC).A total of 97 patients with 127 MTCs between January 2000 and January 2016 and 107 consecutive patients with 132 PTCs were included in this study. Two radiologists retrospectively determined the sonographic features and compared the findings of MTCs and PTCs.Compared with the patients with PTCs, the patients with MTCs were older (46.9 years vs 42...
December 2016: Medicine (Baltimore)
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