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https://www.readbyqxmd.com/read/29151271/development-of-spin-orbit-coupling-for-stochastic-configuration-interaction-techniques
#1
Paul Murphy, Jeremy P Coe, Martin J Paterson
To perform spin-orbit coupling calculations on atoms and molecules, good zeroth-order wavefunctions are necessary. Here, we present the software development of the Monte Carlo Configuration Interaction (MCCI) method, to enable calculation of such properties, where MCCI iteratively constructs a multireference wavefunction using a stochastic procedure. In this initial work, we aim to establish the efficacy of this technique in predicting the splitting of otherwise degenerate energy levels on a range of atoms and small diatomic molecules...
November 19, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/29151228/previously-implanted-intra-peritoneal-mesh-increases-morbidity-during-re-laparoscopy-a-retrospective-case-matched-cohort-study
#2
A Sharma, P Chowbey, N S Kantharia, M Baijal, V Soni, R Khullar
PURPOSE: Laparoscopic ventral hernia repair (LVHR) with intra-peritoneal mesh placement is standard surgical treatment of abdominal wall hernias. During laparoscopic re-intervention, we examined adhesions that develop after previous intra-peritoneal mesh placement and ascertained morbidity and risk of adverse events. METHODS: This is a retrospective, case-matched comparison of three patient groups-previous intra-peritoneal mesh (Group A), previous abdominal surgery (Group B) and no previous abdominal surgery (Group C)...
November 18, 2017: Hernia: the Journal of Hernias and Abdominal Wall Surgery
https://www.readbyqxmd.com/read/29151212/cpmg-experiments-for-protein-minor-conformer-structure-determination
#3
Anusha B Gopalan, D Flemming Hansen, Pramodh Vallurupalli
CPMG relaxation dispersion NMR experiments have emerged as a powerful method to characterize protein minor states that are in exchange with a visible dominant conformation, and have lifetimes between ~0.5 and 5 milliseconds (ms) and populations greater than 0.5%. The structure of the minor state can, in favorable cases, be determined from the parameters provided by the CPMG relaxation dispersion experiments. Here, we go through the intricacies of setting up these powerful CPMG experiments.
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29151200/a-closer-look-at-racism-and-heterosexism-in-medical-students-clinical-decision-making-related-to-hiv-pre-exposure-prophylaxis-prep-implications-for-prep-education
#4
Sarah K Calabrese, Valerie A Earnshaw, Douglas S Krakower, Kristen Underhill, Wilson Vincent, Manya Magnus, Nathan B Hansen, Trace S Kershaw, Kenneth H Mayer, Joseph R Betancourt, John F Dovidio
Social biases among healthcare providers could limit PrEP access. In this survey study of 115 US medical students, we examined associations between biases (racism and heterosexism) and PrEP clinical decision-making and explored prior PrEP education as a potential buffer. After viewing a vignette about a PrEP-seeking MSM patient, participants reported anticipated patient behavior (condomless sex, extra-relational sex, and adherence), intention to prescribe PrEP to the patient, biases, and background characteristics...
November 18, 2017: AIDS and Behavior
https://www.readbyqxmd.com/read/29151196/oral-cancer-radiotherapy-affects-enamel-microhardness-and-associated-indentation-pattern-morphology
#5
R Seyedmahmoud, Y Wang, G Thiagarajan, J P Gorski, R Reed Edwards, J D McGuire, M P Walker
OBJECTIVES: The aim of this study is to determine the effects of in vitro and in vivo high-dose radiotherapy on microhardness and associated indentation pattern morphology of enamel. MATERIALS AND METHODS: The inner, middle, and outer microhardness of enamel was evaluated using three experimental groups: control (non-radiated); in vitro irradiated; in vivo irradiated. In vitro specimens were exposed to simulated radiotherapy, and in vivo specimens were extracted teeth from oral cancer patients previously treated with radiotherapy...
November 18, 2017: Clinical Oral Investigations
https://www.readbyqxmd.com/read/29151182/electrical-cardioversion-of-patients-with-implanted-pacemaker-or-cardioverter-defibrillator-results-of-a-survey-of-german-centers-and-systematic-review-of-the-literature
#6
J Lüker, A Sultan, T Plenge, J van den Bruck, C-H Heeger, S Meyer, K Mischke, R R Tilz, D Vollmann, G Nölker, B Schäffer, S Willems, D Steven
AIMS: A relevant number of patients presenting for electrical cardioversion carry a pacemaker (PM) or ICD. Case reports suggest a potential hazard of external cardioversion/defibrillation. The incidence of shock related device complications is unknown. No guidelines or recommendations by international medical societies for a cardioversion protocol of cardiovascular implantable electronic device (CIED) patients exist. We conducted a nationwide survey to gather real-world clinical data on the current clinical approach towards these patients during electrical cardioversion and to estimate the incidence of shock-related complications...
November 18, 2017: Clinical Research in Cardiology: Official Journal of the German Cardiac Society
https://www.readbyqxmd.com/read/29151181/screening-hcv-genotype-specific-epitope-peptides-based-on-conserved-sequence-analysis-and-b-cell-epitope-prediction-in-hcv-e2-region
#7
Rui Hua, Xiaoyu Jiang, Lingxia Qi, Shanshan Guan, Ziyu Kuai, Yongbo Qiao, Yan Xu, Xin Gong, Yuhua Shi, Wei Kong, Junqi Niu, Hao Zhang, Yaming Shan
The high mutation rate of the hepatitis C virus (HCV) genome increases the genotype diversity and renders the detection of the virus more difficult. Therefore, prediction and assessment of highly conserved and strongly antigenic epitope polypeptide sequences have become a focus of current research. The E2 region is the target binding region of neutralizing antibodies. HCV genomics, especially the high mutation rate of E2 region sequence, makes its genotyping more and more diverse, and the detection of HCV and genotype is becoming more and more strict...
November 18, 2017: Immunologic Research
https://www.readbyqxmd.com/read/29151180/from-bench-to-the-hemodialysis-clinic-protein-bound-uremic-toxins-modulate-nf-%C3%AE%C2%BAb-nrf2-expression
#8
Milena B Stockler-Pinto, Christophe O Soulage, Natália A Borges, Ludmila F M F Cardozo, Carla J Dolenga, Lia S Nakao, Roberto Pecoits-Filho, Denis Fouque, Denise Mafra
PURPOSE: Uremic toxins produced by gut microbiota (indoxyl sulfate-IS, p-cresyl sulfate-p-CS, and indole-3-acetic acid-IAA) accumulate in hemodialysis (HD) patients and exhibit potent inflammatory effects. However, the impact of these toxins on nuclear E2-related factor 2 (Nrf2) and nuclear factor-kappa B (NF-κB) expression in HD patients remains poorly defined. The aim of this study was to evaluate the association between uremic toxins and Nrf2/NF-κB expression in vitro (RAW 264.7 macrophage-like cells) and in peripheral blood mononuclear cells from HD patients...
November 18, 2017: International Urology and Nephrology
https://www.readbyqxmd.com/read/29151177/mechanisms-of-drought-induced-dissipation-of-excitation-energy-in-sun-and-shade-adapted-drought-tolerant-mosses-studied-by-fluorescence-yield-change-and-global-and-target-analysis-of-fluorescence-decay-kinetics
#9
Hisanori Yamakawa, Ivo H M van Stokkum, Ulrich Heber, Shigeru Itoh
Some mosses stay green and survive long even under desiccation. Dissipation mechanisms of excess excitation energy were studied in two drought-tolerant moss species adapted to contrasting niches: shade-adapted Rhytidiadelphus squarrosus and sun-adapted Rhytidium rugosum in the same family. (1) Under wet conditions, a light-induced nonphotochemical quenching (NPQ) mechanism decreased the yield of photosystem II (PSII) fluorescence in both species. The NPQ extent saturated at a lower illumination intensity in R...
November 18, 2017: Photosynthesis Research
https://www.readbyqxmd.com/read/29151173/the-relationship-between-childhood-trauma-and-alcohol-use-initiation-in-black-and-white-adolescent-girls-considering-socioeconomic-status-and-neighborhood-factors
#10
Carolyn E Sartor, Rachel L Bachrach, Stephanie D Stepp, Kimberly B Werner, Alison E Hipwell, Tammy Chung
PURPOSE: To assess whether the higher prevalence of childhood trauma exposure but lower prevalence of alcohol use in Black vs. White adolescent girls reflects a lower magnitude of association between trauma and alcohol use initiation in Black girls; and additionally, whether low socioeconomic status (SES) and neighborhood factors account in part for the link between trauma and early alcohol use. METHODS: Data were drawn from annual interviews conducted with an urban sample of girls and their primary caregivers from ages 5-8 (baseline) through age 17 (n = 2068, 57...
November 18, 2017: Social Psychiatry and Psychiatric Epidemiology
https://www.readbyqxmd.com/read/29151145/pendimethalin-induces-oxidative-stress-dna-damage-and-mitochondrial-dysfunction-to-trigger-apoptosis-in-human-lymphocytes-and-rat-bone-marrow-cells
#11
Sabiha M Ansari, Quaiser Saquib, Sabry M Attia, Eslam M Abdel-Salam, Hend A Alwathnani, Mohammad Faisal, Abdulrahman A Alatar, Abdulaziz A Al-Khedhairy, Javed Musarrat
Pendimethalin (PM) is a dinitroaniline herbicide extensively applied against the annual grasses and broad-leaved weeds. There is no report available on PM-induced low-dose genotoxicity in human primary cells and in vivo test models. Such data gap has prompted us to evaluate the genotoxic potential of PM in human lymphocytes and rats. PM selectively binds in the minor groove of DNA by forming covalent bonds with G and C nitrogenous bases, as well as with the ribose sugar. PM induces micronucleus formation (MN) in human lymphocytes, indicating its clastogenic potential...
November 18, 2017: Histochemistry and Cell Biology
https://www.readbyqxmd.com/read/29151123/a-coxsackievirus-b-vaccine-protects-against-virus-induced-diabetes-in-an-experimental-mouse-model-of-type-1-diabetes
#12
Virginia M Stone, Minna M Hankaniemi, Emma Svedin, Amirbabak Sioofy-Khojine, Sami Oikarinen, Heikki Hyöty, Olli H Laitinen, Vesa P Hytönen, Malin Flodström-Tullberg
AIMS/HYPOTHESIS: Epidemiological studies suggest a role for Coxsackievirus B (CVB) serotypes in the pathogenesis of type 1 diabetes, but their actual contribution remains elusive. In the present study, we have produced a CVB1 vaccine to test whether vaccination against CVBs can prevent virus-induced diabetes in an experimental model. METHODS: NOD and SOCS1-tg mice were vaccinated three times with either a formalin-fixed non-adjuvanted CVB1 vaccine or a buffer control...
November 18, 2017: Diabetologia
https://www.readbyqxmd.com/read/29151080/changes-in-u937-cell-viability-induced-by-stress-factors-possible-role-of-calmodulin
#13
K K Wojcik-Piotrowicz, J Kaszuba-Zwoinska, E Rokita, B Nowak, P Thor
Current studies were aimed to elucidate influence of magnetic field (MF) stimulation on cell viability and its effect on expression of calmodulin (CaM) and Hsp70 protein which plays a role of cell stress indicator and is a Ca(2+)-dependent CaM-binding protein. For the experimental model we have chosen U937 cell line exposed to chemical- and/or physical stress factors. Puromycin (PMC) was used as a chemical apoptosis inducer. Alternating (AC) (6.5rms mT, 35 Hz) magnetic field combined with 6 mT static (DC) component, or pulsed electromagnetic field (45 ± 5)mT, 50 Hz (PEMF) acted as physical stressors...
August 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
https://www.readbyqxmd.com/read/29151079/mechanisms-of-vasorelaxation-induced-by-total-flavonoids-of-euphorbia-humifusa-in-rat-aorta
#14
T T Wang, Z Q Zhou, S Wang, X W Ji, B Wu, L Y Sun, J F Wen, D G Kang, H S Lee, K W Cho, S N Jin
Euphorbia humifusa Willd. (EH), rich in flavonoids, has long been used for the treatment of bacillary dysentery and enteritis in China, and is known to have antioxidant, hypotensive and hypolipidemic properties. However, the vasorelaxant effect of total flavonoids of EH (TFEH) and action mechanisms are not clearly defined yet. The aim of the present study was to investigate the effects of TFEH on the vascular tension and its underlying mechanisms. Experiments were performed in rat thoracic aorta using the organ bath system...
August 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
https://www.readbyqxmd.com/read/29151078/therapeutic-effect-of-exogenous-ghrelin-in-the-healing-of-gingival-ulcers-is-mediated-by-the-release-of-endogenous-growth-hormone-and-insulin-like-growth-factor-1
#15
J Cieszkowski, Z Warzecha, P Ceranowicz, D Ceranowicz, B Kusnierz-Cabala, M Pedziwiatr, M Dembinski, T Ambrozy, T Kaczmarzyk, M Pihut, M Wieckiewicz, R Olszanecki, A Dembinski
Ghrelin, an acylated 28-amino acid polypeptide, was primary isolated from the stomach, and the stomach is a main source of circulating ghrelin. Ghrelin strongly and dose-dependently stimulates release of growth hormone from the anterior pituitary, as well as increases food intake and fat deposition. Previous studies showed that ghrelin exhibits protective and therapeutic effect in different parts of the gastrointestinal system, including the oral cavity. The aim of present study was to examine the role of growth hormone and insulin-like growth factor-1 (IGF-1) in the healing of gingival ulcers...
August 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
https://www.readbyqxmd.com/read/29151074/interferon-lambda-2-promotes-mammary-tumor-metastasis-via-angiogenesis-extension-and-stimulation-of-cancer-cell-migration
#16
R Pingwara, K Witt-Jurkowska, K Ulewicz, J Mucha, K Tonecka, Z Pilch, B Taciak, K Zabielska-Koczywas, M Mori, S Berardozzi, B Botta, T P Rygiel, M Krol
Myeloid-derived suppressor cells (MDSCs) support tumor development by stimulation of angiogenesis and immune response inhibition. In our previous study, we showed that interferon lambda 2 (IFN-λ2), secreted by MDSCs, enhances production of pro-angiogenic factors by cancer cells via phosphorylation of STAT3 and therefore promotes blood vessels formation. In the present study IFN-λ2 level was evaluated by ELISA in serum of tumor-bearing mice, whereas its expression in MDSCs isolated from the lungs with metastatic tumors and normal lungs was assessed by qPCR...
August 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
https://www.readbyqxmd.com/read/29151068/crataegus-special-extract-ws-1442-up-to-date-review-of-experimental-and-clinical-experiences
#17
M Zorniak, B Szydlo, T F Krzeminski
Extracts and tinctures made from Crataegus spp. (Hawthorn) have been used as cardioprotective remedies since ancient times. WS 1442 special extract, manufactured by Dr. W. Schwabe Pharmaceuticals©, made from Crataegus spp. Leaves and flowers is one of the most studied and popular of preparations received from Hawthorn. It is integral, and most important active component of such herbal drugs as Crataegutt® novo 450, and CardioMax®. This standardized extract contains 18.75% oligomeric procyanidins (OPC), which have beneficial cardioprotective values and play a role as free-radicals scavengers, that protect the ischemic heart tissue from neutrophile elastase action successions...
August 2017: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
https://www.readbyqxmd.com/read/29151063/predation-among-microorganisms-a-huge-potential-of-interspecies-dependencies
#18
Justyna Kowalska, Marcin Włodarczyk
There are many interactions between species (including bacteria) in the environment. One of them is predation, which always leads to the death of a prey. Described in this review Bdellovibrio bacteriovorus (Deltaproteobacteria) and Micavibrio aeruginosavorus (Alfaproteobacteria) are uniflagellate, rod shaped and curved obligate predators of Gram-negative bacteria. Both species belong to the group of BALOs (Bdellovibrio and like organisms). B. bacteriovorus use periplasmic predatory strategy and M. aeruginosavorus are epibiotic hunters...
November 3, 2017: Postȩpy Higieny i Medycyny Doświadczalnej
https://www.readbyqxmd.com/read/29151055/exploring-the-effects-of-transfers-and-readmissions-on-trends-in-population-counts-of-hospital-admissions-for-coronary-heart-disease-a-western-australian-data-linkage-study
#19
Derrick Lopez, Lee Nedkoff, Matthew Knuiman, Michael S T Hobbs, Thomas G Briffa, David B Preen, Joseph Hung, John Beilby, Sushma Mathur, Anna Reynolds, Frank M Sanfilippo
OBJECTIVES: To develop a method for categorising coronary heart disease (CHD) subtype in linked data accounting for different CHD diagnoses across records, and to compare hospital admission numbers and ratios of unlinked versus linked data for each CHD subtype over time, and across age groups and sex. DESIGN: Cohort study. DATA SOURCE: Person-linked hospital administrative data covering all admissions for CHD in Western Australia from 1988 to 2013...
November 17, 2017: BMJ Open
https://www.readbyqxmd.com/read/29151051/subclinical-propionibacterium-acnes-infection-estimation-in-the-intervertebral-disc-spine-id-protocol-for-a-prospective-cohort
#20
Nelson Astur, Delio E Martins, Marcelo Wajchenberg, Mario Ferretti, Fernando G Menezes, Andre M Doi, Laercio A Rosemberg, Durval C B Santos, Alexandre S Iutaka, Luciano M R Rodrigues, Marines D V Martino, Jorge R Pagura, Eduardo N Kihara Filho, Mario Lenza
INTRODUCTION: Low back pain and vertebral endplate abnormalities are common conditions within the population. Subclinical infection caused by indolent pathogens can potentially lead to these findings, with differentiation between them notably challenging from a clinical perspective. Progressive infection of the intervertebral disc has been extensively associated with increasing low back pain, with Propionibacterium acnes specifically implicated with in relation to sciatica. The main purpose of this study is to identify if the presence of an infective pathogen within the intervertebral disc is primary or is a result of intraoperative contamination, and whether this correlates to low back pain...
November 17, 2017: BMJ Open
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