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https://www.readbyqxmd.com/read/28735497/conceptual-dft-analysis-of-the-regioselectivity-of-1-3-dipolar-cycloadditions-nitrones-as-a-case-of-study
#1
Ramón Alain Miranda-Quintana, Marco Martínez González, David Hernández-Castillo, Luis A Montero-Cabrera, Paul W Ayers, Christophe Morell
The regioselectivity of the 1,3-dipolar cycloaddition of a model nitrone with a set of dipolarophiles, presenting diverse electronic effects, is analyzed using conceptual density functional theory (DFT) methods. We deviate from standard approaches based on frontier molecular orbitals and formulations of the local hard/soft acid/base principle and use instead the dual descriptor. A detailed analysis is carried out to determine the influence of the way to calculate the dual descriptor, the computational procedure, basis set and choice of method to condensate the values of this descriptor...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28735381/characterization-of-the-sensorimotor-rhythm-in-4-month-old-infants-born-at-term-and-premature
#2
Milene Roca-Stappung, Minerva Moguel-González, Thalía Fernández, Thalía Harmony, Omar Mendoza-Montoya, José Luis Marroquín, Salvador Ruiz-Correa, Lourdes Díaz-Comas, Gloria Otero-Ojeda
The sensorimotor rhythm (SMR) is an electroencephalographic rhythm associated with motor and cognitive development observed in the central brain regions during wakefulness in the absence of movement, and it reacts contralaterally to generalized and hemibody movements. The purpose of this work was to characterize the SMR of 4-month-old infants, born either healthy at term or prematurely with periventricular leukomalacia (PVL). Two groups of infants were formed: healthy and premature with PVL. Their electroencephalograms (EEGs) were recorded in four conditions: rest, free movement, right-hand grasping and left-hand grasping, in order to explore general reactivity to free movement and contralateral reactivity in hand-grasping conditions...
July 22, 2017: Applied Psychophysiology and Biofeedback
https://www.readbyqxmd.com/read/28735215/estimation-of-individual-axon-bundle-properties-by-a-multi-resolution-discrete-search-method
#3
Ricardo Coronado-Leija, Alonso Ramirez-Manzanares, Jose Luis Marroquin
A stable, accurate and robust-to-noise method for the estimation of the intra-voxel bundle-wise diffusion properties for diffusion-weighted magnetic resonance imaging is presented. The proposed method overcomes some of the limitations of most of the multi-fiber algorithms in the literature and extends them to estimate the diffusion profiles, improving the estimation of the intra-voxel geometry at challenging microstructure configurations, that is to say: relatively small crossing angles, different voxel-wise anisotropic diffusion profiles and low SNR...
June 29, 2017: Medical Image Analysis
https://www.readbyqxmd.com/read/28734893/genetic-polymorphisms-in-cyp2a6-are-associated-with-a-risk-of-cigarette-smoking-and-predispose-to-smoking-at-younger-ages
#4
Gloria Pérez-Rubio, Luis Alberto López-Flores, Alejandra Ramírez-Venegas, Valeri Noé-Díaz, Leonor García-Gómez, Enrique Ambrocio-Ortiz, Candelaria Sánchez-Romero, Rafael De Jesús Hernández-Zenteno, Raúl Humberto Sansores, Ramcés Falfán-Valencia
Nicotine is the main component of cigarettes that causes addiction, which is considered a complex disease, and genetic factors have been proposed to be involved in the development of addiction. The CYP2A6 gene encodes the main enzyme responsible for nicotine metabolism. Depending on the study population, different genetic variants of CYP2A6 associated with cigarette smoking have been described. Therefore, we evaluated the possible association between SNPs in CYP2A6 with cigarette smoking and nicotine addiction-related variables in Mexican mestizo smokers...
July 19, 2017: Gene
https://www.readbyqxmd.com/read/28734885/clinical-impact-of-baseline-right-bundle-branch-block-in-patients-undergoing-transcatheter-aortic-valve-replacement
#5
Vincent Auffret, John G Webb, Hélène Eltchaninoff, Antonio J Muñoz-García, Dominique Himbert, Corrado Tamburino, Luis Nombela-Franco, Fabian Nietlispach, César Morís, Marc Ruel, Antonio E Dager, Vicenç Serra, Asim N Cheema, Ignacio J Amat-Santos, Fábio Sandoli de Brito, Pedro Alves Lemos, Alexandre Abizaid, Rogério Sarmento-Leite, Eric Dumont, Marco Barbanti, Eric Durand, Juan H Alonso Briales, Alec Vahanian, Claire Bouleti, Sebastiano Immè, Francesco Maisano, Raquel Del Valle, Luis Miguel Benitez, Bruno García Del Blanco, Rishi Puri, François Philippon, Marina Urena, Josep Rodés-Cabau
OBJECTIVES: This study sought to assess the influence of baseline right bundle branch block (RBBB) on all-cause and cardiovascular mortality as well as sudden cardiac death (SCD) among patients undergoing transcatheter aortic valve replacement (TAVR). BACKGROUND: Few data exist regarding the late clinical impact of pre-existing RBBB in TAVR recipients. METHODS: A total of 3,527 patients (mean age 82 ± 8 years, 50.1% men) were evaluated according to the presence of RBBB on baseline electrocardiography...
July 13, 2017: JACC. Cardiovascular Interventions
https://www.readbyqxmd.com/read/28734878/cardiac-resynchronization-and-coronary-sinus-orifice-atresia
#6
José Luis Martínez-Sande, Javier García-Seara, Moisés Rodríguez-Mañero
No abstract text is available yet for this article.
July 19, 2017: Revista Española de Cardiología
https://www.readbyqxmd.com/read/28734831/effects-of-all-oral-anti-viral-therapy-on-hvpg-and-systemic-hemodynamics-in-patients-with-hepatitis-c-virus-associated-cirrhosis
#7
Sabela Lens, Edilmar Alvarado, Zoe Mariño, María-Carlota Londoño, Elba LLop, Javier Martinez, Jose Ignacio Fortea, Luís Ibañez, Xavier Ariza, Anna Baiges, Adolfo Gallego, Rafael Bañares, Angela Puente, Agustín Albillos, Jose Luís Calleja, Xavier Torras, Virginia Hernández-Gea, Jaume Bosch, Cándid Villanueva, Xavier Forns, Juan Carlos García-Pagán
BACKGROUND & AIMS: Patients with hepatitis C virus (HCV)-associated cirrhosis and clinical significant portal hypertension (CSPH, hepatic venous pressure gradient [HVPG] 10 mmHg or greater), despite achieving sustained virological response (SVR) to therapy, remain at risk of liver decompensation. We investigated hemodynamic changes following SVR in patients with CSPH and whether liver stiffness measurements (LSMs) can rule out the presence of CSPH. METHODS: We performed a multicenter prospective study of 226 patients with HCV-associated cirrhosis and CSPH who had SVR to interferon-free therapy at 6 Liver Units in Spain...
July 19, 2017: Gastroenterology
https://www.readbyqxmd.com/read/28734796/clonal-composition-of-human-ovarian-cancer-based-on-copy-number-analysis-reveals-a-reciprocal-relation-with-oncogenic-mutation-status
#8
Kazuko Sakai, Masayo Ukita, Jeanette Schmidt, Longyang Wu, Marco De Velasco, Alan Roter, Luis Jevons, Kazuto Nishio, Masaki Mandai
Intratumoral heterogeneity of cancer cells remains largely unexplored. Here we investigated the composition of ovarian cancer and its biological relevance. A whole-genome single nucleotide polymorphism array was applied to detect the clonal composition of 24 formalin-fixed, paraffin-embedded samples of human ovarian cancer. Genome-wide segmentation data consisting of the log2 ratio (log2R) and B allele frequency (BAF) were used to calculate an estimate of the clonal composition number (CC number) for each tumor...
July 19, 2017: Cancer Letters
https://www.readbyqxmd.com/read/28734764/comparative-genomic-analysis-of-mycobacterium-tuberculosis-beijing-like-strains-revealed-specific-genetic-variations-associated-with-virulence-and-drug-resistance
#9
Juan Germán Rodríguez-Castillo, Camilo Pino, Luis Fernando Niño, Juan Carlos Rozo, Claudia Llerena-Polo, Carlos A Parra-López, Andreas Tauch, Martha Isabel Murcia-Aranguren
Isolates of the Mycobacterium tuberculosis lineage 2/East-Asian are considered one of the most successful strains due to their increased pathogenicity, hyper-virulence associated with drug resistance, and high transmission. Recent studies in Colombia have shown that the Beijing-like genotype is associated with multidrug-resistance and high prevalence in the southwest of the country, but the genetic basis of its success in dissemination is unknown. In contribution to this matter, we obtained the whole sequences of six genomes of clinical isolates assigned to the Beijing-like genotype...
July 19, 2017: Infection, Genetics and Evolution
https://www.readbyqxmd.com/read/28734730/multifaceted-c-x-c-chemokine-receptor-4-inhibition-interferes-with-anti-vascular-endothelial-growth-factor-therapy-induced-glioma-dissemination
#10
Jean-Pierre Gagner, Yasmeen Sarfraz, Valerio Ortenzi, Fawaz M Alotaibi, Luis A Chiriboga, Awab T Tayyib, Garry J Douglas, Eric Chevalier, Barbara Romagnoli, Gérald Tuffin, Michel Schmitt, Guillaume Lemercier, Klaus Dembowsky, David Zagzag
Resistance to antiangiogenic therapy glioblastoma (GBM) patients may involve hypoxia-induced expression of stromal cell-derived factor (SDF)-1α receptor C-X-C chemokine receptor 4 (CXCR4) on invading tumor, macrophage/microglial cells (MGCs), and glioma stem cells (GSCs). We determined whether antagonizing CXCR4 with peptide epitope mimetic POL5551 disrupts anti-vascular endothelial growth factor therapy-induced glioma growth and dissemination. Mice bearing orthotopic CT-2A or GL261 gliomas received POL5551 and/or anti-vascular endothelial growth factor antibody B20-4...
July 20, 2017: American Journal of Pathology
https://www.readbyqxmd.com/read/28734702/impact-of-hypotension-after-return-of-spontaneous-circulation-on-survival-in-patients-of-out-of-hospital-cardiac-arrest
#11
Yu Koon Chiu, Chun Tat Lui, Kwok Leung Tsui
OBJECTIVE: To investigate the relationship between hypotension in the first 3h after return of spontaneous circulation (ROSC) in patients with out-of-hospital cardiac arrest. METHOD: This retrospective cohort study occurred at two regional hospitals and included adult OHCA patients who experienced ROSC from July 1, 2014 to December 31, 2015. Hemodynamic and inotrope administration data were retrieved for 3h after ROSC. We calculated the hypotensive exposure index (HEI) as the surrogate marker of the exposure of hypotension...
July 5, 2017: American Journal of Emergency Medicine
https://www.readbyqxmd.com/read/28734619/fibromyalgia-prevalence-epidemiologic-profiles-and-economic-costs
#12
REVIEW
Asensi Cabo-Meseguer, Germán Cerdá-Olmedo, José Luis Trillo-Mata
Fibromyalgia is an idiopathic chronic condition that causes widespread musculoskeletal pain, hyperalgesia and allodynia. This review aims to approach the general epidemiology of fibromyalgia according to the most recent published studies, identifying the general worldwide prevalence of the disease, its basic epidemiological profiles and its economic costs, with specific interest in the Spanish and Comunidad Valenciana cases. Fibromyalgia affects, on average, 2.10% of the world's population; 2.31% of the European population; 2...
July 19, 2017: Medicina Clínica
https://www.readbyqxmd.com/read/28734591/increased-inflammatory-effect-of-electronegative-ldl-and-decreased-protection-by-hdl-in-type-2-diabetic-patients
#13
Montserrat Estruch, Inka Miñambres, Jose Luis Sanchez-Quesada, Marta Soler, Antonio Pérez, Jordi Ordoñez-Llanos, Sonia Benitez
BACKGROUND AND AIMS: Type 2 diabetic patients have an increased proportion of electronegative low-density lipoprotein (LDL(-)), an inflammatory LDL subfraction present in blood, and dysfunctional high-density lipoprotein (HDL). We aimed at examining the inflammatory effect of LDL(-) on monocytes and the counteracting effect of HDL in the context of type 2 diabetes. METHODS: This was a cross-sectional study in which the population comprised 3 groups (n = 12 in each group): type 2 diabetic patients with good glycaemic control (GC-T2DM patients), type 2 diabetic patients with poor glycaemic control (PC-T2DM), and a control group...
July 13, 2017: Atherosclerosis
https://www.readbyqxmd.com/read/28734441/a-novel-and-successful-repair-of-a-left-atriogastric-fistula-after-esophagectomy
#14
Nikhil Panda, Eric N Feins, Andrea Axtell, Natalie Lui, Serguei I Melnitchouk, Dean M Donahue
Atriogastric fistulas remain a rare adverse event in patients who undergo esophagectomy with gastric pullthrough. The presentation of an atriogastric fistula ranges from self-limited gastrointestinal bleeding to life-threatening hemorrhage, end-organ dysfunction from septic emboli, or both. These fistulas are associated with significant mortality. Previous reports describe successful repairs of gastrocardiac fistulas with the use of cardiopulmonary bypass. This report describes a patient with a significant burden of cerebral embolic disease, which therefore required a unique approach to fistula repair...
August 2017: Annals of Thoracic Surgery
https://www.readbyqxmd.com/read/28734263/study-of-the-influencing-factors-of-the-blood-levels-of-toxic-elements-in-africans-from-16-countries
#15
Luis Alberto Henríquez-Hernández, Octavio P Luzardo, Luis D Boada, Cristina Carranza, José Luis Pérez Arellano, Ana González-Antuña, Maira Almeida-González, Carlos Barry-Rodríguez, Manuel Zumbado, María Camacho
Africa's economy is growing faster than any other continent and it has been estimated that the middle class in Africa now exceeds 350 million people. This has meant a parallel increase in the importation of consumer goods and in the implementation of communication and information technologies (ICT), but also in the generation of large quantities of e-waste. However, inadequate infrastructure development remains a major constraint to the continent's economic growth and these highly toxic residues are not always adequately managed...
July 19, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28734246/topological-pattern-for-the-search-of-new-active-drugs-against-methicillin-resistant-staphylococcus-aureus
#16
Jose I Bueso-Bordils, Maria T Perez-Gracia, Beatriz Suay-Garcia, Maria J Duart, Rafael V Martin Algarra, Luis Lahuerta Zamora, Gerardo M Anton-Fos, Pedro A Aleman Lopez
Molecular topology was used to develop a mathematical model capable of classifying compounds according to antimicrobial activity against methicillin resistant Staphylococcus aureus (MRSA). Topological indices were used as structural descriptors and their relation to antimicrobial activity was determined by using linear discriminant analysis. This topological model establishes new structure activity relationships which show that the presence of cyclopropyl, chlorine and ramification pairs at a distance of two bonds favor this activity, while the presence of tertiary amines decreases it...
July 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28733881/a-dft-study-of-hydrogen-and-methane-activation-by-b-c6f5-3-p-t-bu-3-and-al-c6f5-3-p-t-bu-3-frustrated-lewis-pairs
#17
Nery Villegas-Escobar, Alejandro Toro-Labbé, Marcos Becerra, Misael Real-Enriquez, Jose R Mora, Luis Rincon
This contribution presents a computational study aimed at understanding factors affecting barriers associated with the activation of the H-H bond in molecular hydrogen and the H-CH3 bond in methane mediated by intermolecular Frustrated Lewis Pairs (FLPs). The classical phosphine P(t-Bu)3 Lewis base in conjunction with two Lewis acids, B(C6F5)3 and Al(C6F5)3, were used as representative models of intermolecular FLPs. DFT calculations were performed using the dispersion corrected ωB97x-D functional, including toluene as a solvent through the PCM-SMD implicit solvent scheme...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28733780/robotic-left-lateral-sectionectomy-as-stepwise-approach-for-cirrhotic-liver
#18
Raphael L C Araujo, Luís Antônio de Castro, Fernando E C Fellipe, Diego Burgardt, Durval R Wohnrath
Laparoscopy is considered the gold standard approach to perform left lateral sectionectomy (LLS). Furthermore, laparoscopy for cirrhotic patients can reduce intraoperative bleeding and postoperative morbidity when compared to open surgery. Although robotic surgery is feasible for both minor and major liver resections, it remains a work in progress and only few series reported this approach for cirrhotic patients. We reported two cases of 62-year-old men, both with hepatitis C virus and alcoholic cirrhosis, but with compensated liver functions (MELD 9-10 and Child-Pugh A5-A6)...
July 21, 2017: Journal of Robotic Surgery
https://www.readbyqxmd.com/read/28733746/comparative-analysis-of-perioperative-outcomes-of-robotic-versus-open-transversus-abdominis-release
#19
Luis A Martin-Del-Campo, Adam S Weltz, Igor Belyansky, Yuri W Novitsky
BACKGROUND: Transversus abdominis release (TAR) has evolved as an effective approach to complex abdominal wall reconstructions. Although the role of robotics in hernia surgery is rapidly expanding, the benefits of a robotic approach for abdominal wall reconstruction have not been established well. We aimed to compare the impact of the application of robotics to the TAR procedure on the perioperative outcomes when compared to the open TAR repairs. METHODS: Case-matched comparison of patients undergoing robotic TAR (R-TAR) at two specialized hernia centers to a matched historic cohort of open TAR (O-TAR) patients was performed...
July 21, 2017: Surgical Endoscopy
https://www.readbyqxmd.com/read/28733660/probing-low-energy-hyperbolic-polaritons-in-van-der-waals-crystals-with-an-electron-microscope
#20
Alexander A Govyadinov, Andrea Konečná, Andrey Chuvilin, Saül Vélez, Irene Dolado, Alexey Y Nikitin, Sergei Lopatin, Fèlix Casanova, Luis E Hueso, Javier Aizpurua, Rainer Hillenbrand
Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material...
July 21, 2017: Nature Communications
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