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https://www.readbyqxmd.com/read/28092632/the-tilt-dependent-potential-of-mean-force-of-a-pair-of-dna-oligomers-from-all-atom-molecular-dynamics-simulations
#1
Ruggero Cortini, Xiaolin Cheng, Jeremy C Smith
Electrostatic interactions between DNA molecules have been extensively studied experimentally and theoretically, but several aspects (e.g. its role in determining the pitch of the cholesteric DNA phase) still remain unclear. Here, we performed large-scale all-atom molecular dynamics simulations in explicit water and 150 mM sodium chloride, to reconstruct the potential of mean force (PMF) of two DNA oligomers 24 base pairs long as a function of their interaxial angle and intermolecular distance. We find that the potential of mean force is dominated by total DNA charge, and not by the helical geometry of its charged groups...
January 16, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28092294/outcomes-of-a-combined-approach-of-percutaneous-coronary-revascularization-and-cardiac-valve-surgery
#2
Orlando Santana, Sandeep Singla, Christos G Mihos, Andrés M Pineda, Gregg W Stone, Paul A Kurlansky, Isaac George, Ajay J Kirtane, Craig R Smith, Nirat Beohar
A subset of patients requiring coronary revascularization and valve surgery may benefit from a combined approach of percutaneous coronary intervention (PCI) and valve surgery, as opposed to the standard median sternotomy approach of combined coronary artery bypass and valve surgery. To evaluate its potential benefits and limitations, a literature search was performed using PubMed, EMBASE, Ovid, and the Cochrane library, through March 2016 to identify all studies involving a combined approach of PCI and valve surgery in patients with coronary artery and valvular disease...
January 13, 2017: Innovations: Technology and Techniques in Cardiothoracic and Vascular Surgery
https://www.readbyqxmd.com/read/28092280/challenges-and-opportunities-to-enhance-global-drug-development-in-neonates
#3
Alexandra M Smith, Jonathan M Davis
PURPOSE OF REVIEW: This study reviews the history of neonatal drug development, recent legislative efforts designed to facilitate the study of therapeutic agents in neonates, and future steps necessary to advance drug development. RECENT FINDINGS: Although many federal regulations have been introduced over the past 15 years to encourage pediatric and neonatal drug development, the majority of medications that are used in the Neonatal Intensive Care Unit are not approved by the Food and Drug Administration (FDA) for use in neonates...
January 13, 2017: Current Opinion in Pediatrics
https://www.readbyqxmd.com/read/28091666/chemoenzymatic-synthesis-of-unmodified-heparin-oligosaccharides-cleavage-of-p-nitrophenyl-glucuronide-by-alkaline-and-smith-degradation
#4
Xing Zhang, Yongmei Xu, Po-Hung Hsieh, Jian Liu, Lei Lin, Eric P Schmidt, Robert J Linhardt
A heparin oligosaccharide having a completely natural structure was successfully synthesized through a chemoenzymatic approach using an unnatural glycosyl acceptor, p-nitrophenyl glucuronide (GlcA-pNP). The use of an inexpensive and commercially available GlcA-pNP acceptor facilitates oligosaccharide recovery and purification on C-18 resin during chemoenzymatic synthesis. Oligosaccharide chain extension and modification afforded a heptasaccharide with gluconic acid residues at its reducing and non-reducing ends...
January 16, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28091625/mplex-a-method-for-simultaneous-pathogen-inactivation-and-extraction-of-samples-for-multi-omics-profiling
#5
Kristin E Burnum-Johnson, Jennifer E Kyle, Amie J Eisfeld, Cameron P Casey, Kelly G Stratton, Juan F Gonzalez, Fabien Habyarimana, Nicholas M Negretti, Amy C Sims, Sadhana Chauhan, Larissa B Thackray, Peter J Halfmann, Kevin B Walters, Young-Mo Kim, Erika M Zink, Carrie D Nicora, Karl K Weitz, Bobbie-Jo M Webb-Robertson, Ernesto S Nakayasu, Brian Ahmer, Michael E Konkel, Vladimir Motin, Ralph S Baric, Michael S Diamond, Yoshihiro Kawaoka, Katrina M Waters, Richard D Smith, Thomas O Metz
The continued emergence and spread of infectious agents is of great concern, and systems biology approaches to infectious disease research can advance our understanding of host-pathogen relationships and facilitate the development of new therapies and vaccines. Molecular characterization of infectious samples outside of appropriate biosafety containment can take place only subsequent to pathogen inactivation. Herein, we describe a modified Folch extraction using chloroform/methanol that facilitates the molecular characterization of infectious samples by enabling simultaneous pathogen inactivation and extraction of proteins, metabolites, and lipids for subsequent mass spectrometry-based multi-omics measurements...
January 16, 2017: Analyst
https://www.readbyqxmd.com/read/28091435/influence-of-helicobacter-pylori-infection-on-the-prevalence-and-patterns-of-upper-gastrointestinal-symptoms-in-nigerians-with-diabetes-mellitus
#6
A Oluyemi, E Anomneze, S Smith, O Fasanmade
BACKGROUND: Infection with Helicobacter pylori infection is widespread in our environment. However, whether this fact has any bearing on the prevalence and pattern of symptoms referable to the upper gastrointestinal (GI) system in our population of diabetes mellitus (DM) patients has not been much studied. AIM: We embarked on this study to evaluate if H. pylori infection played any significant role in the prevalence and patterns of upper GI symptoms in type 2 DM patients in Lagos, Nigeria...
February 2017: Nigerian Journal of Clinical Practice
https://www.readbyqxmd.com/read/28091342/childhood-interleukin-6-c-reactive-protein-and-atopic-disorders-as-risk-factors-for-hypomanic-symptoms-in-young-adulthood-a-longitudinal-birth-cohort-study
#7
J F Hayes, G M Khandaker, J Anderson, D Mackay, S Zammit, G Lewis, D J Smith, D P J Osborn
No abstract text is available yet for this article.
January 16, 2017: Psychological Medicine
https://www.readbyqxmd.com/read/28090753/inferring-infection-hazard-in-wildlife-populations-by-linking-data-across-individual-and-population-scales
#8
Kim M Pepin, Shannon L Kay, Ben D Golas, Susan S Shriner, Amy T Gilbert, Ryan S Miller, Andrea L Graham, Steven Riley, Paul C Cross, Michael D Samuel, Mevin B Hooten, Jennifer A Hoeting, James O Lloyd-Smith, Colleen T Webb, Michael G Buhnerkempe
Our ability to infer unobservable disease-dynamic processes such as force of infection (infection hazard for susceptible hosts) has transformed our understanding of disease transmission mechanisms and capacity to predict disease dynamics. Conventional methods for inferring FOI estimate a time-averaged value and are based on population-level processes. Because many pathogens exhibit epidemic cycling and FOI is the result of processes acting across the scales of individuals and populations, a flexible framework that extends to epidemic dynamics and links within-host processes to FOI is needed...
January 16, 2017: Ecology Letters
https://www.readbyqxmd.com/read/28090665/can-patel-s-%C3%AF-accurately-estimate-directionality-of-connections-in-brain-networks-from-fmri
#9
Yunzhi Wang, Olivier David, Xiaoping Hu, Gopikrishna Deshpande
PURPOSE: Investigating directional interactions between brain regions plays a critical role in fully understanding brain function. Consequently, multiple methods have been developed for noninvasively inferring directional connectivity in human brain networks using functional MRI (fMRI). Recent simulations by Smith et al showed that Patel's τ, a method based on higher-order statistics, was the best approach for inferring directional interactions from fMRI. Because simulations make restrictive assumptions about reality, we set out to verify this finding using experimental fMRI data obtained from a three-region network in a rat model with electrophysiological validation...
January 16, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28090653/genome-wide-study-links-pnpla3-variant-with-elevated-hepatic-transaminase-after-acute-lymphoblastic-leukemia-therapy
#10
Yiwei Liu, Christian A Fernandez, Colton Smith, Wenjian Yang, Cheng Cheng, John C Panetta, Nancy Kornegay, Chengcheng Liu, Laura B Ramsey, Seth E Karol, Laura J Janke, Eric C Larsen, Naomi Winick, William L Carroll, Mignon L Loh, Elizabeth A Raetz, Stephen P Hunger, Meenakshi Devidas, Jun J Yang, Charles G Mullighan, Jinghui Zhang, William E Evans, Sima Jeha, Ching-Hon Pui, Mary V Relling
Remission induction therapy for acute lymphoblastic leukemia (ALL) includes medications that may cause hepatotoxicity, including asparaginase. We used a genome-wide association study (GWAS) to identify loci associated with elevated alanine transaminase (ALT) levels after induction therapy in children with ALL enrolled on St. Jude Children's Research Hospital (SJCRH) protocols. Germline DNA was genotyped using arrays and exome sequencing. Adjusting for age, body mass index, ancestry, asparaginase preparation and dosage, the PNPLA3 rs738409 (C>G) I148M variant, previously associated with fatty liver disease risk, had the strongest genetic association with ALT (P = 2...
January 16, 2017: Clinical Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/28090102/virtual-patient-case-sharing-across-two-schools-of-pharmacy
#11
Michael A Smith, Laura A Siemianowski, Neal Benedict
Objective. To expand the use of virtual patients at 2 schools of pharmacy through virtual patient case sharing. Design. Faculty members at two schools of pharmacy collaborated to expand the use of virtual patients. Two simulation programs, vpSim and DecisionSim (Decision Simulation, LLC, Chadsford, PA), were used to create interactive patient cases for a required course and an elective course at the different schools. Each school developed cases for their own use and then shared the cases with the other school...
November 25, 2016: American Journal of Pharmaceutical Education
https://www.readbyqxmd.com/read/28089973/malignancies-in-patients-with-anti-rna-polymerase-iii-antibodies-and-systemic-sclerosis-analysis-of-the-eular-scleroderma-trials-and-research-cohort-and-possible-recommendations-for-screening
#12
Maria-Grazia Lazzaroni, Ilaria Cavazzana, Enrico Colombo, Rucsandra Dobrota, Jasmin Hernandez, Roger Hesselstrand, Cecilia Varju, Gabriella Nagy, Vanessa Smith, Paola Caramaschi, Valeria Riccieri, Eric Hachulla, Alexandra Balbir-Gurman, Emmanuel Chatelus, Katarzyna Romanowska-Próchnicka, Ana Carolina Araújo, Oliver Distler, Yannick Allanore, Paolo Airò
OBJECTIVE: To analyze the characteristics of anti-RNA polymerase III antibodies (anti-RNAP3)- positive patients with systemic sclerosis (SSc) in the European League Against Rheumatism Scleroderma Trials and Research group (EUSTAR) registry with a focus on the risk of cancer and the characteristics of malignancies, and the aim to provide guidelines about potential cancer screening in these patients. METHODS: (1) Analysis of the EUSTAR database: 4986 patients with information on their anti-RNAP3 status were included...
January 15, 2017: Journal of Rheumatology
https://www.readbyqxmd.com/read/28089957/the-epigenetic-clock-and-physical-development-during-childhood-and-adolescence-longitudinal-analysis-from-a-uk-birth-cohort
#13
Andrew J Simpkin, Laura D Howe, Kate Tilling, Tom R Gaunt, Oliver Lyttleton, Wendy L McArdle, Susan M Ring, Steve Horvath, George Davey Smith, Caroline L Relton
BACKGROUND: Statistical models that use an individual's DNA methylation levels to estimate their age (known as epigenetic clocks) have recently been developed, with 96% correlation found between epigenetic and chronological age. We postulate that differences between estimated and actual age [age acceleration (AA)] can be used as a measure of developmental age in early life. METHODS: We obtained DNA methylation measures at three time points (birth, age 7 years and age 17 years) in 1018 children from the Avon Longitudinal Study of Parents and Children (ALSPAC)...
January 15, 2017: International Journal of Epidemiology
https://www.readbyqxmd.com/read/28089699/investigation-of-piperazine-benzamides-as-human-%C3%AE-3-adrenergic-receptor-agonists-for-the-treatment-of-overactive-bladder
#14
Bart H Harper, Liping Wang, Cheng Zhu, Nam F Kar, Bing Li, Christopher R Moyes, Stephen D Goble, Melissa Costa, Karen Dingley, Jerry Di Salvo, Sookhee N Ha, Amanda Hurley, Xiaofang Li, Randy R Miller, Hiroshi Nagabukuro, Gino M Salituro, Sean Smith, Mary Struthers, Jeffrey J Hale, Scott D Edmondson, Richard Berger
The synthesis of a novel class of piperazine benzamide (reverse amides) targeting the human β3-adrenergic receptor for the treatment of overactive bladder (OAB) is described. The SAR studies directed towards maintaining well established β3 potency and selectivities while improving the overall pharmacokinetic profile in the reverse amide class will be evaluated. The results and consequences associated with functional activity at the norepinephrine transporter (NET) will also be discussed.
December 11, 2016: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28089615/commentary-pediatric-psychopharmacology-for-the-primary-care-clinician
#15
Andrew Smith
No abstract text is available yet for this article.
January 12, 2017: Current Problems in Pediatric and Adolescent Health Care
https://www.readbyqxmd.com/read/28089480/deep-inspiration-breath-hold-produces-a-clinically-meaningful-reduction-in-ipsilateral-lung-dose-during-locoregional-radiation-therapy-for-some-women-with-right-sided-breast-cancer
#16
Jessica L Conway, Leigh Conroy, Lindsay Harper, Marie Scheifele, Haocheng Li, Wendy L Smith, Tannis Graham, Tien Phan, Ivo A Olivotto
PURPOSE: The goal of the work described here was to determine whether deep inspiration breath-hold (DIBH) produces a clinically meaningful reduction in pulmonary dose compared with free breathing (FB) during locoregional radiation for right-sided breast cancer. METHODS AND MATERIALS: Four-field, modified-wide tangent plans with full nodal coverage were developed for 30 consecutive patients on paired DIBH and FB CT scans. Nodes were contoured according to European Society for Radiotherapy and Oncology guidelines...
October 19, 2016: Practical Radiation Oncology
https://www.readbyqxmd.com/read/28089468/obtain-a-outcome-benefits-of-tranexamic-acid-in-hip-arthroplasty-a%C3%A2-randomized-double-blinded-controlled-trial
#17
Andrew Fraval, Peter Effeney, Lena Fiddelaers, Belinda Smith, Ben Towell, Phong Tran
BACKGROUND: We examined whether the blood conserving effect of tranexamic acid (TXA) in total hip arthroplasty using the direct anterior approach, translates to an effect on functional outcomes in the perioperative period. METHODS: We conducted a single-center, randomized, double-blinded, placebo-controlled trial. One hundred one patients were randomized to receive either TXA or an equivalent volume of normal saline. The primary outcome measure was thigh swelling...
December 8, 2016: Journal of Arthroplasty
https://www.readbyqxmd.com/read/28089454/the-role-of-adenosine-challenge-in-catheter-ablation-for-atrial-fibrillation-a-systematic-review-and-meta-analysis
#18
Alex J A McLellan, Saurabh Kumar, Catherine Smith, Liang-Han Ling, Sandeep Prabhu, Jonathan M Kalman, Peter M Kistler
AIMS: Adenosine may unmask dormant PV conduction and facilitate consolidation of PV isolation. We performed a meta-analysis to determine the impact of adenosine administration on clinical outcomes in patients undergoing PVI. METHODS: References and electronic databases reporting AF ablation and adenosine following PVI were searched through to 22nd November 2015. The impact of adenosine on freedom from AF was assessed in twenty publications after radiofrequency ablation (RFA), and in four publications after cryoablation to achieve PVI...
January 8, 2017: International Journal of Cardiology
https://www.readbyqxmd.com/read/28089431/adults-with-developmental-dyslexia-show-selective-impairments-in-time-based-and-self-initiated-prospective-memory-self-report-and-clinical-evidence
#19
James H Smith-Spark, Adam P Zięcik, Christopher Sterling
BACKGROUND: Prospective memory (PM; memory for delayed intentions) would seem to be impaired in dyslexia but evidence is currently limited in scope. AIMS: There is a need, therefore, firstly, to explore PM under controlled conditions using a broader range of PM tasks than used previously and, secondly, to determine whether objectively measured and self-reported PM problems can be found in the same individuals with dyslexia. METHODS AND PROCEDURES: The responses of 30 adults with dyslexia were compared with those of 30 IQ-matched adults without dyslexia on a self-report and a clinical measure of PM...
January 12, 2017: Research in Developmental Disabilities
https://www.readbyqxmd.com/read/28089283/myc-amplification-as-a-predictive-factor-of-complete-pathologic-response-to-docetaxel-based-neoadjuvant-chemotherapy-for-breast-cancer
#20
Cynthia Brito Lins Pereira, Mariana Ferreira Leal, Eliana Saul Furquim Werneck Abdelhay, Sâmia Demachki, Paulo Pimentel Assumpção, Mirian Carvalho de Souza, Caroline Aquino Moreira-Nunes, Adriana Michiko da Silva Tanaka, Marília Cardoso Smith, Rommel Rodríguez Burbano
BACKGROUND: Neoadjuvant chemotherapy is a standard treatment for stage II and III breast cancer. The identification of biomarkers that may help in the prediction of response to neoadjuvant therapies is necessary for a more precise definition of the best drug or drug combination to induce a better response. MATERIAL AND METHODS: We assessed the role of Ki67, hormone receptors expression, HER2, MYC genes and their protein status, and KRAS codon 12 mutations as predictor factors of pathologic response to anthracycline-cyclophosphamide (AC) followed by taxane docetaxel (T) neoadjuvant chemotherapy (AC+T regimen) in 51 patients with invasive ductal breast cancer...
December 24, 2016: Clinical Breast Cancer
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