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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/29151238/predictability-of-hypoadrenalism-occurrence-and-duration-after-adrenalectomy-for-acth-independent-hypercortisolism
#2
V Morelli, L Minelli, C Eller-Vainicher, S Palmieri, E Cairoli, A Spada, M Arosio, I Chiodini
OBJECTIVE: To evaluate if the parameters of hypothalamic-pituitary-adrenal (HPA) axis activity could predict the occurrence and duration of post-surgical hypocortisolism (PSH) in patients with Cushing's syndrome (CS) and with adrenal incidentaloma (AI). METHODS: We studied 80 patients (54 females, age 53.3 ± 11 years), who underwent adrenalectomy for CS (17 patients) or for AI (53 patients). Before surgery, we measured adrenocorticotroph hormone (ACTH), urinary free cortisol (UFC) and serum cortisol after 1 mg dexamethasone suppression test (1 mg-DST) levels...
November 18, 2017: Journal of Endocrinological Investigation
https://www.readbyqxmd.com/read/29151225/association-between-different-dietary-polyphenol-subclasses-and-the-improvement-in-cardiometabolic-risk-factors-evidence-from-a-randomized-controlled-clinical-trial
#3
Claudia Vetrani, Marilena Vitale, Lutgarda Bozzetto, Giuseppe Della Pepa, Sara Cocozza, Giuseppina Costabile, Anna Mangione, Paola Cipriano, Giovanni Annuzzi, Angela A Rivellese
AIMS: Due to their different chemical structures and metabolism, polyphenol subclasses may have specific impact on cardiometabolic risk factors. Our aim was to evaluate whether the intake of different polyphenol subclasses is associated with clinical outcomes beneficially improved by polyphenols in a nutritional trial performed by our group (postprandial lipid response, glucose homeostasis, early insulin secretion and oxidative stress). METHODS: The present study is a secondary analysis of a nutritional intervention study with a diet naturally rich in polyphenols...
November 18, 2017: Acta Diabetologica
https://www.readbyqxmd.com/read/29151207/rapid-prediction-of-multi-dimensional-nmr-data-sets-using-fandas
#4
Siddarth Narasimhan, Deni Mance, Cecilia Pinto, Markus Weingarth, Alexandre M J J Bonvin, Marc Baldus
Solid-state NMR (ssNMR) can provide structural information at the most detailed level and, at the same time, is applicable in highly heterogeneous and complex molecular environments. In the last few years, ssNMR has made significant progress in uncovering structure and dynamics of proteins in their native cellular environments [1-4]. Additionally, ssNMR has proven to be useful in studying large biomolecular complexes as well as membrane proteins at the atomic level [5]. In such studies, innovative labeling schemes have become a powerful approach to tackle spectral crowding...
2018: Methods in Molecular Biology
https://www.readbyqxmd.com/read/29151195/risk-factors-in-preschool-children-for-predicting-asthma-during-the-preschool-age-and-the-early-school-age-a-systematic-review-and-meta-analysis
#5
REVIEW
Yixia Bao, Zhimin Chen, Enmei Liu, Li Xiang, Deyu Zhao, Jianguo Hong
PURPOSE OF REVIEW: The aim of this study was to identify risk factors of asthma among children < 6 years old (preschool age) for predicting asthma during the preschool age and early school age (≤ 10 years of age). METHOD OF THE STUDY: MEDLINE, Cochrane, EMBASE, and Google Scholar databases were searched until June 30, 2017. Prospective or retrospective cohort and case-control studies were included. Studies had to have evaluated risk factors or a predictive model for developing asthma in children ≤ 6 years of age or persistent asthma in early school age...
November 18, 2017: Current Allergy and Asthma Reports
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
#6
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/29151173/the-relationship-between-childhood-trauma-and-alcohol-use-initiation-in-black-and-white-adolescent-girls-considering-socioeconomic-status-and-neighborhood-factors
#7
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/29151170/the-function-of-the-cellular-prion-protein-in-health-and-disease
#8
REVIEW
Joel C Watts, Matthew E C Bourkas, Hamza Arshad
The essential role of the cellular prion protein (PrP(C)) in prion disorders such as Creutzfeldt-Jakob disease is well documented. Moreover, evidence is accumulating that PrP(C) may act as a receptor for protein aggregates and transduce neurotoxic signals in more common neurodegenerative disorders, such as Alzheimer's disease. Although the pathological roles of PrP(C) have been thoroughly characterized, a general consensus on its physiological function within the brain has not yet been established. Knockout studies in various organisms, ranging from zebrafish to mice, have implicated PrP(C) in a diverse range of nervous system-related activities that include a key role in the maintenance of peripheral nerve myelination as well as a general ability to protect against neurotoxic stimuli...
November 18, 2017: Acta Neuropathologica
https://www.readbyqxmd.com/read/29151154/visit-to-visit-variability-of-systolic-blood-pressure-predicts-all-cause-mortality-in-patients-received-percutaneous-coronary-intervention-with-drug-eluting-stents
#9
Suk Min Seo, Woo-Baek Chung, Ik Jun Choi, Yoon-Seok Koh, Sang-Hyun Ihm, Pum-Jun Kim, Wook Sung Chung, Ki-Bae Seung
Blood pressure (BP) and its variability are associated with atherosclerotic disease and cardiovascular events. The prognostic implications of outpatient clinic visit-to-visit blood pressure variability (BPV) are unknown in patients undergoing percutaneous coronary intervention (PCI) with drug-eluting stents (DES). A total of 1,463 patients undergoing PCI with DES were consecutively enrolled from January 2009 to December 2013. We analyzed the 1,234 patients, who measured clinic BP more than three times during the first year after PCI...
November 18, 2017: Heart and Vessels
https://www.readbyqxmd.com/read/29151146/mapping-and-confirmation-of-loci-for-salt-tolerance-in-a-novel-soybean-germplasm-fiskeby-iii
#10
Tuyen D Do, Tri D Vuong, David Dunn, Scotty Smothers, Gunvant Patil, Dennis C Yungbluth, Pengyin Chen, Andrew Scaboo, Dong Xu, Thomas E Carter, Henry T Nguyen, J Grover Shannon
The confirmation of a major locus associated with salt tolerance and mapping of a new locus, which could be beneficial for improving salt tolerance in soybean. Breeding soybean for tolerance to high salt conditions is important in some regions of the USA and world. Soybean cultivar Fiskeby III (PI 438471) in maturity group 000 has been reported to be highly tolerant to multiple abiotic stress conditions, including salinity. In this study, a mapping population of 132 F2 families derived from a cross of cultivar Williams 82 (PI 518671, moderately salt sensitive) and Fiskeby III (salt tolerant) was analyzed to map salt tolerance genes...
November 18, 2017: TAG. Theoretical and Applied Genetics. Theoretische und Angewandte Genetik
https://www.readbyqxmd.com/read/29151140/effects-of-oxygen-availability-on-oxidative-stress-biomarkers-in-the-mediterranean-mussel-mytilus-galloprovincialis
#11
Alessia Giannetto, Maria Maisano, Tiziana Cappello, Sabrina Oliva, Vincenzo Parrino, Antonino Natalotto, Giuseppe De Marco, Salvatore Fasulo
In aquatic environments, hypoxia and oxygen-deficient areas are increasing worldwide. Transitions in oxygen levels can influence the production of reactive oxygen species (ROS), eventually leading to oxidative stress. The transcriptional response of oxidative stress biomarkers was evaluated by qPCR in gill tissue from Mytilus galloprovincialis experimentally subjected to 48-h air exposure followed by 48-h re-oxygenation, as compared to normoxic control mussels. Superoxide dismutases (CuZnsod and Mnsod), catalase (cat), and glutathione S-transferase (gst) were over-expressed early after 8-h air exposure and returned to normoxic levels during re-oxygenation...
November 18, 2017: Marine Biotechnology
https://www.readbyqxmd.com/read/29151136/whole-milk-consumption-and-risk-of-cardiovascular-disease-and-mortality-isfahan-cohort-study
#12
Mohammad Talaei, Naeimeh Hosseini, Rob M van Dam, Masoumeh Sadeghi, Shahram Oveisgharan, Minoo Dianatkhah, Nizal Sarrafzadegan
BACKGROUND: The association between milk intake and cardiovascular disease (CVD) and mortality risk is still controversial but data from Middle-Eastern populations are scarce. We aimed to study these associations in an Iranian population. METHODS: We used the Isfahan Cohort Study, a population-based prospective study of 6504 adult Iranians. In this analysis, we included 5432 participants free of CVD at baseline with at least one follow-up. Data on whole milk intake and other dietary factors were collected by a food frequency questionnaire at baseline...
November 18, 2017: European Journal of Nutrition
https://www.readbyqxmd.com/read/29151135/classification-of-g-protein-coupled-receptors-based-on-a-rich-generation-of-convolutional-neural-network-n-gram-transformation-and-multiple-sequence-alignments
#13
Man Li, Cheng Ling, Qi Xu, Jingyang Gao
Sequence classification is crucial in predicting the function of newly discovered sequences. In recent years, the prediction of the incremental large-scale and diversity of sequences has heavily relied on the involvement of machine-learning algorithms. To improve prediction accuracy, these algorithms must confront the key challenge of extracting valuable features. In this work, we propose a feature-enhanced protein classification approach, considering the rich generation of multiple sequence alignment algorithms, N-gram probabilistic language model and the deep learning technique...
November 18, 2017: Amino Acids
https://www.readbyqxmd.com/read/29151119/whole-body-magnetic-resonance-imaging-for-detection-of-skeletal-metastases-in-children-and-young-people-with-primary-solid-tumors-systematic-review
#14
A M Smets, E E Deurloo, T J E Slager, J Stoker, S Bipat
BACKGROUND: Many solid neoplasms have a propensity for osteomedullary metastases of which detection is important for staging and subsequent treatment. Whole-body magnetic resonance imaging (WB-MRI) has been shown to accurately detect osteomedullary metastases in adults, but these findings cannot be unconditionally extrapolated to staging of children with malignant solid tumors. OBJECTIVE: To conduct a literature review on the sensitivity of WB-MRI for detecting skeletal metastases in children with solid tumors...
November 18, 2017: Pediatric Radiology
https://www.readbyqxmd.com/read/29151106/survival-outcome-of-intermediate-grade-salivary-gland-carcinoma
#15
Gi Cheol Park, Jong-Lyel Roh, Kyung-Ja Cho, Yong Gi Jung, Hyoun Wook Lee, Tae Gyu Kim, Seung-Ho Choi, Soon Yuhl Nam, Sang Yoon Kim
OBJECTIVE: Histological grade is the most important factor for defining treatment strategies and predicting prognosis for salivary gland carcinoma (SGC). We examined factors affecting long-term recurrence and survival among intermediate-grade SGC (IGSGC) patients to define optimal treatment modalities and outcomes. METHODS: We reviewed the clinical and pathological data on 108 IGSGC patients who underwent definitive surgery with or without postoperative radiotherapy...
November 18, 2017: Oncology
https://www.readbyqxmd.com/read/29151104/clinical-efficacy-and-safety-of-first-line-dasatinib-therapy-and-the-relevance-of-velocity-of-bcr-abl1-transcript-decline-for-achievement-of-molecular-responses-in-newly-diagnosed-chronic-phase-chronic-myeloid-leukemia-report-from-the-juntendo-yamanashi-cooperative
#16
Tomoiku Takaku, Noriyoshi Iriyama, Toru Mitsumori, Eriko Sato, Akihiko Gotoh, Keita Kirito, Masaaki Noguchi, Michiaki Koike, Junichi Sakamoto, Koji Oba, Norio Komatsu
OBJECTIVE: The use of tyrosine kinase inhibitors led to an improvement in the prognoses of patients with chronic myeloid leukemia (CML). The aims of this study were to investigate the efficacy and safety of dasatinib in Japanese patients and to explore the factors that affect the achievement of molecular responses. METHODS: The primary endpoint was a major molecular response (MMR) by 12 months. The halving time for BCR-ABL1 transcripts was calculated using transcript levels...
November 18, 2017: Oncology
https://www.readbyqxmd.com/read/29151086/analysis-of-the-cytomorphological-features-in-atypical-urine-specimens-following-application-of-the-paris-system-for-reporting-urinary-cytology
#17
Ryan Glass, Lisa Rosen, Karen Chau, Sylvat Sheikh-Fayyaz, Peter Farmer, Constantinos Coutsouvelis, Farah Slim, Ryan Brenkert, Kasturi Das, Stephen Raab, Rubina Cocker
BACKGROUND: This study investigates the use of The Paris System (TPS) for Reporting Urinary Cytopathology and examines the performance of individual and combined morphological features in atypical urine cytologies. METHODS: We reviewed 118 atypical cytologies with subsequent bladder biopsies for the presence of several morphological features and reclassified them into Paris System categories. The sensitivity and specificity of individual and combined features were calculated along with the risk of malignancy...
November 18, 2017: Acta Cytologica
https://www.readbyqxmd.com/read/29151064/the-oral-cavity-potential-source-of-stem-cells
#18
Rafał Brożek, Maciej Kurpisz, Ryszard Koczorowski
The purpose of this review is to present the current knowledge regarding the hierarchy of stem cells originating from the oral cavity, which could have a potential value when applied to regenerative stomatology. It must be particularly emphasized that the heterogenous nature of its biology and function within oral compartment may predispose them to different types of applications. Stem cells can be perceived as immature, primitive and unspecialized types of cells with the ability to proliferate, self-renew and differentiate into specialized progeny according to the compartmental signaling...
October 19, 2017: Postȩpy Higieny i Medycyny Doświadczalnej
https://www.readbyqxmd.com/read/29151058/nudging-informed-consent-and-bullshit
#19
William Simkulet
Some philosophers have argued that during the process of obtaining informed consent, physicians should try to nudge their patients towards consenting to the option the physician believes best, where a nudge is any influence that is expected to predictably alter a person's behaviour without (substantively) restricting her options. Some proponents of nudging even argue that it is a necessary and unavoidable part of securing informed consent. Here I argue that nudging is incompatible with obtaining informed consent...
November 18, 2017: Journal of Medical Ethics
https://www.readbyqxmd.com/read/29151053/protocol-of-the-sepsivit-study-a-prospective-observational-study-to-determine-whether-continuous-heart-rate-variability-measurement-during-the-first-48-hours-of-hospitalisation-provides-an-early-warning-for-deterioration-in-patients-presenting-with-infection
#20
Vincent M Quinten, Matijs van Meurs, Maurits H Renes, Jack J M Ligtenberg, Jan C Ter Maaten
INTRODUCTION: One in five patients with sepsis deteriorates within 48 hours after hospital admission. Regrettably, a clear tool for the early detection of deterioration is still lacking. The SepsiVit study aims to determine whether continuous heart rate variability (HRV) measurement can provide an early warning for deterioration in patients presenting with suspected infection or sepsis to the emergency department (ED). METHODS AND ANALYSIS: The protocol of a prospective observational study in the ED...
November 17, 2017: BMJ Open
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