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https://www.readbyqxmd.com/read/28636351/heats-of-formation-of-medium-size-organic-compounds-from-contemporary-electronic-structure-methods
#1
Yury Minenkov, Heng Wang, Zhandong Wang, S Mani Sarathy, Luigi Cavallo
Computational electronic structure calculations are routinely undertaken to predict thermodynamic properties of the various species. However, the application of highly accurate wave function theory methods, such as the "gold standard" coupled cluster approach including single, double and partly triple excitations in perturbative fashion, CCSD(T), to large molecules is limited due to high computational cost. In this work, the promising domain based local pair natural orbital coupled cluster approach, DLPNO-CCSD(T), has been tested to reproduce 113 accurate formation enthalpies of medium-size molecules (few dozens heavy atoms) important for bio- and combustion chemistry via the reaction based Feller-Peterson-Dixon approach...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28634659/effects-of-single-moor-baths-on-physiological-stress-response-and-psychological-state-a-pilot-study
#2
M Stier-Jarmer, D Frisch, C Oberhauser, G Immich, M Kirschneck, A Schuh
Moor mud applications in the form of packs and baths are widely used therapeutically as part of balneotherapy. They are commonly given as therapy for musculoskeletal disorders, with their thermo-physical effects being furthest studied. Moor baths are one of the key therapeutic elements in our recently developed and evaluated 3-week prevention program for subjects with high stress level and increased risk of developing a burnout syndrome. An embedded pilot study add-on to this core project was carried out to assess the relaxing effect of a single moor bath...
June 20, 2017: International Journal of Biometeorology
https://www.readbyqxmd.com/read/28633325/malus-hupehensis-mir168-targets-to-argonaute1-and-contributes-to-the-resistance-against-botryosphaeria-dothidea-infection-by-altering-defense-responses
#3
Xinyi Yu, Yingjun Hou, Weiping Chen, Sanhong Wang, Peihong Wang, Shenchun Qu
MicroRNA-mediated post transcriptional regulation plays a fundamental role in various plant physiological processes, including responses to pathogens. MicroRNA168 has been implicated as an essential factor of miRNA pathways by targeting ARGONAUTE1 (AGO1), the core component of the RNA-induced silencing complex (RISC). A fluctuation in AGO1 expression influences various plant-pathogen interactions, and the homeostasis of AGO1 and miR168 accumulation is maintained by a complicated feedback regulatory loop. In this study, the connection between miR168 and the resistance of M...
June 13, 2017: Plant & Cell Physiology
https://www.readbyqxmd.com/read/28633005/autophagy-impairment-mediated-by-s-nitrosation-of-atg4b-leads-to-neurotoxicity-in-response-to-hyperglycemia
#4
Yazi Li, Yuying Zhang, Lei Wang, Ping Wang, Yanhong Xue, Xiaopeng Li, Xinhua Qiao, Xu Zhang, Tao Xu, Guanghui Liu, Peng Li, Chang Chen
The majority of diabetic patients develop neuropathy and there is an increasing prevalence of neurodegeneration in the central nervous system (CNS). However, the mechanism behind is poorly understood. Here we first observed that macroautophagy/autophagy was suppressed in the hippocampus of diabetic GK rats with hyperglycemia, whereas it was unchanged in ob/ob mice without hyperglycemia. Autophagy could be directly inhibited by high glucose in mouse primary hippocampal neurons. Moreover, autophagy was protective in high-glucose-induced neurotoxicity...
June 20, 2017: Autophagy
https://www.readbyqxmd.com/read/28629813/recruitment-failure-of-scleractinian-corals-in-a-subtropical-marginal-environment-three-year-monitoring-in-a-hong-kong-marine-park
#5
Apple Pui Yi Chui, Put Ang
Coral recruitment was monitored for three years, using terracotta tiles, in two core coral areas in Tung Ping Chau Marine Park where coral coverage is one of the richest in Hong Kong. Results revealed an extremely low recruitment success of corals, with only 10 recruits recorded on 384 tile pairs, equivalent to 0.19 recruits m(-2)yr(-1) throughout the study period. Recruits of Platygyra acuta pre-seeded on tiles that were subsequently grown in situ experienced very high mortality following settlement, with average mortality of 80% within half a month and <0...
June 16, 2017: Marine Pollution Bulletin
https://www.readbyqxmd.com/read/28626912/structural-characterisation-of-acetogenins-from-annona-muricata-by-supercritical-fluid-chromatography-coupled-to-high-resolution-tandem-mass-spectrometry
#6
Laurent Laboureur, Natacha Bonneau, Pierre Champy, Alain Brunelle, David Touboul
INTRODUCTION: Acetogenins are plant polyketides known to be cytotoxic and proposed as antitumor candidates. They are also suspected to be alimentary neurotoxins. Their occurrence as complex mixtures renders their dereplication and structural identification difficult using liquid chromatography coupled to tandem mass spectrometry and efforts are required to improve the methodology. OBJECTIVE: To develop a supercritical fluid chromatography (SFC) high-resolution tandem mass spectrometry method, involving lithium post-column cationisation, for the structural characterisation of Annonaceous acetogenins in crude extracts...
June 19, 2017: Phytochemical Analysis: PCA
https://www.readbyqxmd.com/read/28625553/heterogeneous-ribosomes-preferentially-translate-distinct-subpools-of-mrnas-genome-wide
#7
Zhen Shi, Kotaro Fujii, Kyle M Kovary, Naomi R Genuth, Hannes L Röst, Mary N Teruel, Maria Barna
Emerging studies have linked the ribosome to more selective control of gene regulation. However, an outstanding question is whether ribosome heterogeneity at the level of core ribosomal proteins (RPs) exists and enables ribosomes to preferentially translate specific mRNAs genome-wide. Here, we measured the absolute abundance of RPs in translating ribosomes and profiled transcripts that are enriched or depleted from select subsets of ribosomes within embryonic stem cells. We find that heterogeneity in RP composition endows ribosomes with differential selectivity for translating subpools of transcripts, including those controlling metabolism, cell cycle, and development...
June 7, 2017: Molecular Cell
https://www.readbyqxmd.com/read/28624986/temperature-corrected-post-mortem-1-5%C3%A2-t-mri-quantification-of-non-pathologic-upper-abdominal-organs
#8
Nicole Schwendener, Christian Jackowski, Frederick Schuster, Anders Persson, Marcel J Warntjes, Wolf -Dieter Zech
OBJECTIVES: The present study aimed to evaluate if simultaneous temperature-corrected T1, T2, and proton density (PD) 1.5 T post-mortem MR quantification [quantitative post-mortem magnetic resonance imaging (QPMMRI)] is feasible for characterizing and discerning non-pathologic upper abdominal organs (liver, spleen, pancreas, kidney) with regard to varying body temperatures. METHODS: QPMMRI was performed on 80 corpses (25 females, 55 males; mean age 56.2 years, SD 17...
June 17, 2017: International Journal of Legal Medicine
https://www.readbyqxmd.com/read/28623607/presenilin-1-targeted-morpholino-induces-cognitive-deficits-increased-brain-a%C3%AE-1-42-and-decreased-synaptic-marker-psd-95-in-zebrafish-larvae
#9
Laura Roesler Nery, Natalia Eltz Silva, Raphaela Fonseca, Monica Ryff Moreira Vianna
Presenilins are transmembrane proteases required for the proteolytic cleavage of Notch and also act as the catalytic core of the γ-secretase complex, which is responsible for the final cleavage of the amyloid precursor protein into Amyloid-β (Aβ) peptides of varying lengths. Presenilin-1 gene (psen1) mutations are the main cause of early-onset autosomal-dominant Familial Alzheimer Disease. Elucidating the roles of Presenilin-1 and other hallmark proteins involved in Alzheimer's disease is crucial for understanding the disease etiology and underlying molecular mechanisms...
June 16, 2017: Neurochemical Research
https://www.readbyqxmd.com/read/28623092/ctip-ctp1-sae2-molecular-form-fit-for-function
#10
REVIEW
Sara N Andres, R Scott Williams
Vertebrate CtIP, and its fission yeast (Ctp1), budding yeast (Sae2) and plant (Com1) orthologs have emerged as key regulatory molecules in cellular responses to DNA double strand breaks (DSBs). By modulating the nucleolytic 5'-3' resection activity of the Mre11/Rad50/Nbs1 (MRN) DSB repair processing and signaling complex, CtIP/Ctp1/Sae2/Com1 is integral to the channeling of DNA double strand breaks through DSB repair by homologous recombination (HR). Nearly two decades since its discovery, emerging new data are defining the molecular underpinnings for CtIP DSB repair regulatory activities...
June 9, 2017: DNA Repair
https://www.readbyqxmd.com/read/28622589/improving-outcomes-for-babies-and-toddlers-in-child-welfare-a-model-for-infant-mental-health-intervention-and-collaboration
#11
Susan Chinitz, Hazel Guzman, Ellen Amstutz, Joaniko Kohchi, Miriam Alkon
Children under three comprise a sizable and growing proportion of foster care placements. Very young children who enter the child welfare system experience disruptions of critical attachments that are essential to this formative stage of brain development, as well as other traumatic events, leaving them at great risk for lifelong impairments. To reverse these concerning outcomes, babies who have been removed from their homes require intensive, relationship-based interventions that promote secure attachment to a primary caregiver and holistic attention the child's developmental needs...
June 13, 2017: Child Abuse & Neglect
https://www.readbyqxmd.com/read/28620998/a-survey-of-speech-language-therapy-provision-for-people-with-post-stroke-dysarthria-in-the-uk
#12
Nick Miller, Steven Bloch
BACKGROUND: A large number of people who experience a stroke are affected by dysarthria. This may be in isolation or in association with aphasia and/or dysphagia. Despite evidence highlighting the psychological and social impact of having post-stroke dysarthria and a number of clinical guidelines that make recommendations for appropriate management, little is known currently about UK service delivery issues relating to speech and language therapy (SLT) assessment and treatment for this group...
June 16, 2017: International Journal of Language & Communication Disorders
https://www.readbyqxmd.com/read/28617027/efficacy-of-peroral-endoscopic-myotomy-compared-with-other-invasive-treatment-options-for-the-different-esophageal-motor-disorders
#13
Fermín Estremera-Arévalo, Eduardo Albéniz, María Rullán, Irene Areste, Rosa Iglesias, Juan José Vila
INTRODUCTION: Peroral endoscopic myotomy (POEM) has been performed since 2008 on more than 5,000 patients. It has proven to be highly effective in the treatment of achalasia and has shown promising outcomes for other esophageal motility spastic disorders. METHODS: A literature review of the efficacy of POEM compared to the previous invasive treatments for different esophageal motility disorders was performed. The application in the pediatric and elderly populations and its role as a rescue therapy after other procedures are also outlined...
June 15, 2017: Revista Española de Enfermedades Digestivas
https://www.readbyqxmd.com/read/28615704/the-early-metabolomic-response-of-adipose-tissue-during-acute-cold-exposure-in-mice
#14
Xiyuan Lu, Ashley Solmonson, Alessia Lodi, Sara M Nowinski, Enrique Sentandreu, Christopher L Riley, Edward M Mills, Stefano Tiziani
To maintain core body temperature in cold conditions, mammals activate a complex multi-organ metabolic response for heat production. White adipose tissue (WAT) primarily functions as an energy reservoir, while brown adipose tissue (BAT) is activated during cold exposure to generate heat from nutrients. Both BAT and WAT undergo specific metabolic changes during acute cold exposure. Here, we use an untargeted metabolomics approach to characterize the initial metabolic response to cold exposure in multiple adipose tissue depots in mice...
June 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28615324/hihimap-single-cell-quantitation-of-histones-and-histone-post-translational-modifications-across-the-cell-cycle-by-high-throughput-imaging
#15
Linda Zane, Fleur Chapus, Gianluca Pegoraro, Tom Misteli
We describe HiHiMap (High-throughput Histone Mapping), a high-throughput imaging method to measure histone and histone post-translational modifications (PTM) in single cells. HiHiMap uses imaging-based quantification of DNA and Cyclin A to stage individual cells in the cell cycle to determine the levels of histone or histone PTMs in each stage of the cell cycle. As proof-of-principle, we apply HiHiMap to measure the level of 21 core histones, histone variants and PTMs in primary, immortalized and transformed cells...
June 14, 2017: Molecular Biology of the Cell
https://www.readbyqxmd.com/read/28613203/-renal-tumors-percutaneous-ablation-by-microwave-initial-experience
#16
Juan Sebastian Toro-Gutierrez, Juan Jose Espejo-Herrero, Maria Sagrario Lombardo-Galera, Maria Eugenia Pérez-Montilla, Miguel Canis-López, Luis Zurera-Tendero, Juan Manuel Rubio
OBJECTIVE: To analyze retrospectively the safety and effectiveness of percutaneous microwave ablation of solid renal tumors, and also review different approach techniques. METHODS: It is a retrospective study approved by the ethics committee of both hospitals. 14 tumors with a mean size of 37 mm (12-50 mm) were treated in a single session, under general anesthesia and with CT guidance, in 14 patients (9 men) with a mean age of 66 years, using the ablation system AMICA by different approaches (trans pulmonary, trans peritoneal and retroperitoneal)...
June 2017: Archivos Españoles de Urología
https://www.readbyqxmd.com/read/28612657/improving-care-for-advanced-copd-through-practice-change-experiences-of-participation-in-a-canadian-spread-collaborative
#17
Jennifer Y Verma, Claudia Amar, Shannon Sibbald, Graeme M Rocker
Chronic obstructive pulmonary disease (COPD) is a leading cause of death, morbidity, and health-care spending. The Halifax, Nova Scotia-based INSPIRED COPD Outreach Program™ has proved highly beneficial for patients and the health-care system. With direct investment of <$1-million CAD, a pan-Canadian quality improvement collaborative (QIC) supported the spread of INSPIRED to 19 teams in the 10 Canadian provinces contingent upon participation in evaluation. The collaborative evaluation followed a mixed-methods summative approach relying on collated quantitative data, team documents, and surveys sent to core members of the 19 teams...
January 1, 2017: Chronic Respiratory Disease
https://www.readbyqxmd.com/read/28612113/gluten-and-casein-free-diet-and-autism-spectrum-disorders-in-children-a-systematic-review
#18
REVIEW
Anna Piwowarczyk, Andrea Horvath, Jan Łukasik, Ewa Pisula, Hania Szajewska
PURPOSE: Effective treatments for core symptoms of autism spectrum disorders (ASD) are lacking. We systematically updated evidence on the effectiveness of a gluten-free and casein-free (GFCF) diet as a treatment for ASD in children. METHODS: The Cochrane Library, MEDLINE, and EMBASE databases were searched up until August 2016, for randomized controlled trials (RCTs); additional references were obtained from reviewed articles. RESULTS: Six RCTs (214 participants) were included...
June 13, 2017: European Journal of Nutrition
https://www.readbyqxmd.com/read/28605895/hydrogel-patches-on-live-cells-through-surface-mediated-polymerization
#19
Pei-Jung Wu, Jacob L Lilly, Roberto Arreaza, Brad J Berron
Many naturally-occurring cells possess an intrinsic ability to cross biological barriers that block conventional drug delivery, and these cells offer a possible mode of active transport across the blood brain barrier or into the core of tumor masses. While many technologies exist to form complete, nanoparticle loaded coatings on cells, a complete coating on the cell surface would disrupt the interaction of cells with their environments. To address this issue, cell surface patches that partially cover cell surfaces might provide a superior approach for cell mediated therapeutic delivery...
June 12, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28605595/efficient-co-delivery-of-paclitaxel-and-curcumin-by-novel-bottlebrush-copolymer-based-micelles
#20
Qing Yao, David C Gutierrez, Ngoc Ha Hoang, Dongin Kim, Ruoning Wang, Christopher Hobbs, Lin Zhu
The novel self-assembling bottlebrush polyethylene glycol - polynorbornene - thiocresol block copolymers (PEG-PNB-TC) were synthesized by the Ring Opening Metathesis Polymerization (ROMP), followed by functionalization of the polymer backbone via the thio-bromo "Click" post-polymerization strategy. The PEG-PNB-TC copolymers could easily self-assemble into the nanoscale core-shell polymeric micelles. The hydrophobic anticancer drugs, such as paclitaxel (PTX), could be loaded into their hydrophobic core to form a stable drug-loaded micelle with a superior drug loading capacity of up to ~ 35 % (wt/wt)...
June 12, 2017: Molecular Pharmaceutics
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