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https://www.readbyqxmd.com/read/27914062/computational-design-of-ligand-binding-proteins
#1
Christine E Tinberg, Sagar D Khare
The ability to design novel small-molecule binding sites in proteins is a stringent test of our understanding of the principles of molecular recognition, and would have many practical applications, in synthetic biology and medicine. Here, we describe a computational method in the context of the macromolecular modeling suite Rosetta to designing proteins with sites featuring predetermined interactions to ligands of choice. The required inputs for the method are a model of the small molecule and the desired interactions (e...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27913648/cd36-mediated-uptake-of-surfactant-lipids-by-human-macrophages-promotes-intracellular-growth-of-mycobacterium-tuberculosis
#2
Claire E Dodd, Charlie J Pyle, Rebecca Glowinski, Murugesan V S Rajaram, Larry S Schlesinger
Mycobacterium tuberculosis imposes a large global health burden as the airborne agent of tuberculosis. Mycobacterium tuberculosis has been flourishing in human populations for millennia and is therefore highly adapted to the lung environment. Alveolar macrophages, a major host cell niche for M. tuberculosis, are not only phagocytose inhaled microbes and particulate matter but are also crucial in catabolizing lung surfactant, a lipid-protein complex that lines the alveolar spaces. Because macrophage host defense properties can be regulated by surfactant and M...
December 15, 2016: Journal of Immunology: Official Journal of the American Association of Immunologists
https://www.readbyqxmd.com/read/27911418/synthesis-and-characterization-of-fe-doped-aluminosilicate-nanotubes-with-enhanced-electron-conductive-properties
#3
Ehsan Shafia, Serena Esposito, Elnaz Bahadori, Marco Armandi, Maela Manzoli, Barbara Bonelli
The goal of the protocol is to synthesize Fe-doped aluminosilicate nanotubes of the imogolite type with the formula (OH)3Al2-xFexO3SiOH. Doping with Fe aims at lowering the band gap of imogolite, an insulator with the chemical formula (OH)3Al2O3SiOH, and at modifying its adsorption properties towards azo-dyes, an important class of organic pollutants of both wastewater and groundwater. Fe-doped nanotubes are obtained in two ways: by direct synthesis, where FeCl3 is added to an aqueous mixture of the Si and Al precursors, and by post-synthesis loading, where preformed nanotubes are put in contact with a FeCl3•6H2O aqueous solution...
November 15, 2016: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/27910245/anorectal-manometry-should-it-be-performed-in-a-seated-position
#4
G-J Wu, F Xu, L Lin, P J Pasricha, J D Z Chen
BACKGROUND: Anorectal manometry (ARM) is typically preformed in a lateral position. This non-physiological testing position has produced an unexpected negative rectoanal pressure gradient (RAPG, i.e. difference between rectal and anal pressure) with normal defecation. This study was designed (i) to study differences in ARM parameters between water-perfused and solid-state sensors and between lateral and seated positions and (ii) to investigate the roles of ARM parameters in predicting balloon expulsion...
December 1, 2016: Neurogastroenterology and Motility: the Official Journal of the European Gastrointestinal Motility Society
https://www.readbyqxmd.com/read/27903535/magnetic-resonance-imaging-of-cardiac-strain-pattern-following-transplantation-of-human-tissue-engineered-heart-muscles
#5
Xulei Qin, Johannes Riegler, Malte Tiburcy, Xin Zhao, Tony Chour, Babacar Ndoye, Michael Nguyen, Jackson Adams, Mohamed Ameen, Thomas S Denney, Phillip C Yang, Patricia Nguyen, Wolfram H Zimmermann, Joseph C Wu
BACKGROUND: The use of tissue engineering approaches in combination with exogenously produced cardiomyocytes offers the potential to restore contractile function after myocardial injury. However, current techniques assessing changes in global cardiac performance after such treatments are plagued by relatively low detection ability. Since the treatment is locally performed, this detection could be improved by myocardial strain imaging that measures regional contractility. METHODS AND RESULTS: Tissue engineered heart muscles (EHMs) were generated by casting human embryonic stem cell-derived cardiomyocytes with collagen in preformed molds...
November 2016: Circulation. Cardiovascular Imaging
https://www.readbyqxmd.com/read/27897199/hydroxychavicol-a-phytochemical-targeting-cutaneous-fungal-infections
#6
Intzar Ali, Naresh Kumar Satti, Prabhu Dutt, Rajendra Prasad, Inshad Ali Khan
The present study was designed to investigate the potency of hydroxychavicol on selected cutaneous human pathogenic fungi by the use of in vitro and in vivo assays and mechanistic characterization along with toxicological effects. Hydroxychavicol consistently displayed a fungicidal effect against all fungal species tested. Inoculum concentrations over the range of 10(4) to 10(7) CFU/ml did not significantly alter its antifungal potential and time-kill curve results revealed concentration-dependent killing...
November 29, 2016: Scientific Reports
https://www.readbyqxmd.com/read/27895048/parecoxib-inhibits-glioblastoma-cell-proliferation-migration-and-invasion-by-up-regulating-mirna-29c
#7
Lin-Yong Li, Jie Xiao, Qiang Liu, Kun Xia
Glioblastoma (GBM) is one of the most lethal brain cancers worldwide, and there is an urgent need for development of novel therapeutic approaches. Parecoxib is a well-known cyclooxygenase-2 (COX-2) inhibitor, had already been developed for postoperative analgesia with high efficience and low adverse reaction. Recent study suggested that parecoxib potently enhances immunotherapeutic efficacy of GBM, but its effects on GBM growth, migration and invasion had never been studied before. In the present study, MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) and, BrdU (5-Bromo-2-deoxyUridine) incorporation assays were used to evaluate the cell proliferation of GBM cells...
November 28, 2016: Biology Open
https://www.readbyqxmd.com/read/27893559/personalized-reconstruction-of-traumatic-orbital-defects-based-on-precise-three-dimensional-orientation-and-measurements-of-the-globe
#8
Li Huang, Lisong Lin, Zhihong Wang, Bin Shi, Xiaofeng Zhu, Yu Qiu, Yue Huang, Xueyuan Yu, Yunyang Liao
OBJECTIVE: The aim of the study was to precisely assess the severity of traumatic orbital defects and techniques for personalized orbital reconstruction. METHODS: A retrospective study was conducted in 97 patients with traumatic orbital defects who were treated in our hospital between July 2003 and June 2012. Pre- and postoperative spiral computed tomography scans were performed in all patients. A spatial orientation technique was used to measure the three-dimensional position of the globe and calculate the changes in the orbital volume...
November 23, 2016: Journal of Craniofacial Surgery
https://www.readbyqxmd.com/read/27893522/zone-i-of-tear-microdesiccates-is-a-lipid-containing-structure
#9
Felipe Traipe, Leonidas Traipe, Daniela Salinas-Toro, Daniela López, Felipe Valenzuela, Claudio Pérez, Cristian Cartes, Francisca Zuazo, Patricia Varela, Héctor Toledo-Araya, Remigio López-Solís
PURPOSE: Morphological features of tear microdesiccates on glass surfaces have been associated with tear fluid status. Tear-film lipids play a critical role in the pathophysiology of some ocular surface disorders. Tear microdesiccates display 4 distinctive morphological domains (zones I, II, III, and transition band). In this study, we investigated the lipid location in tear microdesiccates. METHODS: Tear from individual healthy eyes (assessed by symptoms, signs, and slit-lamp examination) was collected using absorbing minisponges...
November 23, 2016: Cornea
https://www.readbyqxmd.com/read/27891337/high-seroprevalence-of-dengue-virus-infection-in-blood-donors-from-delhi-a-single-centre-study
#10
Pragya Ranjan, Vidhya Natarajan, Meenu Bajpai, Ekta Gupta
INTRODUCTION: The risk of transfusion transmitted dengue has been increasingly recognized. Blood donors in an endemic area like Delhi may serve as a potential vehicle for transmission of the infection. Moreover, prevalence of infection in them would be representative of the true picture of dengue in a population. AIM: To determine the prevalence of dengue virus infection in blood donors in a tertiary care centre. MATERIALS AND METHODS: A total of 200 blood donors were recruited in the study after obtaining informed consent in the Institute of Liver and Biliary Sciences, New Delhi in July and August 2012...
October 2016: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/27890336/complications-and-revision-amputation-following-trauma-related-lower-limb-loss
#11
Eric Edison Low, Elizabeth Inkellis, Saam Morshed
INTRODUCTION: Trauma-related amputations are a common cause of limb loss in the United States. Despite the military and public health impact of trauma-related amputations, distributions of various lower limb amputations and the relative frequency of complications and revision amputations have not been well described. We used the National Trauma Data Bank (NTDB) in order to investigate the epidemiology of trauma-related lower extremity amputations among civilians in U.S. trauma centers...
November 18, 2016: Injury
https://www.readbyqxmd.com/read/27886291/a-first-principles-study-of-the-preventive-effects-of-al-and-mg-doping-on-the-degradation-in-lini0-8co0-1mn0-1o2-cathode-materials
#12
Kyoungmin Min, Seung-Woo Seo, You Young Song, Hyo Sug Lee, Eunseog Cho
First-principles calculations have been used to investigate the effects of Al and Mg doping on the prevention of degradation phenomena in Li(Ni0.8Co0.1Mn0.1)O2 cathode materials. Specifically, we have examined the effects of dopants on the suppression of oxygen evolution and cation disordering, as well as their correlation. It is found that Al doping can suppress the formation of oxygen vacancies effectively, while Mg doping prevents the cation disordering behaviors, i.e., excess Ni and Li/Ni exchange, and Ni migration...
November 25, 2016: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/27878803/tissue-doppler-echocardiography-detects-subclinical-left-ventricular-dysfunction-in-patients-undergoing-chemotherapy-for-colon-cancer-insights-from-oncoecho-multicenter-study
#13
Edyta Płońska-Gościniak, Monika Różewicz, Jarosław Kasprzak, Andrzej Wojtarowicz, Katarzyna Mizia-Stec, Tomasz Hryniewiecki, Piotr Pysz, Andrzej Kułach, Artur Bodys, Violetta Sulżyc, Wojciech Braksator, Andrzej Szyszka, Beata Zaborska, Adrianna Gościńska-Szmagała, Maciej Siński, Dariusz Kosior, Ilona Kowalik, Zbigniew Gąsior
I BACKGROUND: Colorectal cancer (CRC) is the second most common cancer in women and the third in men in Poland. The role of chemotherapy (CTX) depends on stage of CRC: adjuvant CTX is a standard treatment in stage III and should also be considered in stage II with risk factors. AIM: The aim of the paper was to assess the cardiovascular consequences of CTX in CRC enrolled to the ONCOECHO multicenter study (2012 - 2014). To identify potential cardiotoxicity we focused on myocardial function, heart rhythm and conduction disorders and adverse cardiovascular events...
November 23, 2016: Kardiologia Polska
https://www.readbyqxmd.com/read/27867347/susceptibility-of-mutant-sod1-to-form-a-destabilized-monomer-predicts-cellular-aggregation-and-toxicity-but-not-in-vitro-aggregation-propensity
#14
Luke McAlary, J Andrew Aquilina, Justin J Yerbury
Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease characterized by the rapid and progressive degeneration of upper and lower motor neurons in the spinal cord, brain stem and motor cortex. The first gene linked to ALS was the gene encoding the free radical scavenging enzyme superoxide dismutase-1 (SOD1) that currently has over 180, mostly missense, ALS-associated mutations identified. SOD1-associated fALS patients show remarkably broad mean survival times (<1 year to ~17 years death post-diagnosis) that are mutation dependent...
2016: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/27867068/evaluation-of-arch-forms-depending-on-the-angle-classification
#15
Farid Bourzgui, Asmaa Khribchi, Zineb Rachdy, Sami Housbane, Mohamed Bennani Othmani
: It is generally accepted that each individual has his or her own dental arch form. However, during orthodontic treatment, industrially preshaped archwires are widely used. The resulting use of the same arch form for all malocclusions may compromise occlusal stability after orthodontic treatment. AIM: To determine the average dental arch form of a non-consulting Moroccan population depending on the Angle classification, after digitization of plaster models of the dental arches...
November 17, 2016: International Orthodontics
https://www.readbyqxmd.com/read/27864779/activity-of-novel-inhibitors-of-staphylococcus-aureus-biofilms
#16
Seung-Gyun Woo, So-Yeon Lee, So-Min Lee, Kyoung-Hee Lim, Eun-Ju Ha, Yong-Bin Eom
Staphylococcus aureus is one of the most important pathogens causing chronic biofilm infections. These are becoming more difficult to treat owing to drug resistance, particularly because S. aureus biofilms limit the efficacy of antimicrobial agents, leading to high morbidity and mortality. In the present study, we screened for inhibitors of S. aureus biofilm formation using a natural product library from the Korea Chemical Bank (KCB). Screening by crystal violet-based biomass staining assay identified hit compounds...
November 18, 2016: Folia Microbiologica
https://www.readbyqxmd.com/read/27862391/influence-of-metal-ligand-and-solvent-on-supramolecular-polymerizations-with-transition-metal-compounds-a-theoretical-study
#17
Naidel A M S Caturello, Zsolt Csók, Rodrigo Q Albuquerque
The nature of intermolecular interactions governing supramolecular polymerizations is very important for controlling their cooperativity. In order to address this problem, supramolecular columns made of Pt(II) and Pd(II) complexes of oligo(phenylene ethynylene)-based pyridine (OPE) and tetrazolylpyridine ligands (TEP) were investigated through the dispersion-corrected PM6 method. Aromatic, CH-π, M-Cl and metallophilic interactions helped stabilize the supramolecules studied, and their geometries and associated cooperativities were in excellent agreement with experimental data...
November 10, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27859979/diabetes-conflict-outstrips-the-positive-impact-of-self-efficacy-on-youth-adherence-and-glycemic-control-in-type-1-diabetes
#18
Amy E Noser, Lindsay Huffhines, Mark A Clements, Susana R Patton
OBJECTIVE: To examine whether self-efficacy buffers the deleterious consequences of diabetes-specific family conflict on self-monitoring blood glucose (SMBG) and glycated hemoglobin (HbA1c) in youth with type 1 diabetes mellitus (T1DM). METHODS: A total of 129 youth with T1DM (aged 10-16 years) completed measures of diabetes-specific family conflict and self-efficacy for diabetes management, and their blood glucose meter data and HbA1c were extracted from the electronic medical record...
November 17, 2016: Pediatric Diabetes
https://www.readbyqxmd.com/read/27859715/the-excited-state-intramolecular-proton-transfer-properties-of-three-tris-n-salicylideneaniline-based-chromophores-with-extended-conjugation
#19
Pradeepkumar Jagadesean, Tyler Whittemore, Toni Beirl, Claudia Turro, Psaras McGrier
The synthesis and photophysical properties of three tris(salicylideneaniline) (TSA) compounds containing 1,3,5-triarylbenzene, -tristyrylbenzene and -triarylethynylbenzene core units are reported. The TSA compounds undergo efficient excited state intramolecular proton transfer (ESIPT) in solution and in solid state due to the preformed C=N---H-O hydrogen bonded motifs of the structures. Steady state fluorescence emission spectra of the TSA molecules revealed dual bands in only DMSO, and large Stokes shifts in other polar aprotic and protic solvents...
November 17, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27851946/the-epidermal-growth-factor-receptor-forms-location-dependent-complexes-in-resting-cells
#20
Sibel Yavas, Radek Macháň, Thorsten Wohland
The epidermal growth factor receptor (EGFR) is a prototypical receptor tyrosine kinase involved in cell growth and proliferation and associated with various cancers. It is commonly assumed that after activation by binding of epidermal growth factor to the extracellular domain it dimerizes, followed by autophosphorylation of tyrosine residues at the intracellular domain. However, its oligomerization state before activation is controversial. In the absence of ligands, EGFR has been found in various, inconsistent amounts of monomeric, inactive dimeric, and oligomeric forms...
November 15, 2016: Biophysical Journal
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