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https://www.readbyqxmd.com/read/28735497/conceptual-dft-analysis-of-the-regioselectivity-of-1-3-dipolar-cycloadditions-nitrones-as-a-case-of-study
#1
Ramón Alain Miranda-Quintana, Marco Martínez González, David Hernández-Castillo, Luis A Montero-Cabrera, Paul W Ayers, Christophe Morell
The regioselectivity of the 1,3-dipolar cycloaddition of a model nitrone with a set of dipolarophiles, presenting diverse electronic effects, is analyzed using conceptual density functional theory (DFT) methods. We deviate from standard approaches based on frontier molecular orbitals and formulations of the local hard/soft acid/base principle and use instead the dual descriptor. A detailed analysis is carried out to determine the influence of the way to calculate the dual descriptor, the computational procedure, basis set and choice of method to condensate the values of this descriptor...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28735465/approximal-morphology-as-predictor-of-approximal-caries-in-primary-molar-teeth
#2
A Cortes, S Martignon, V Qvist, Kim Rud Ekstrand
OBJECTIVE: To evaluate the predictive power of the morphology of the distal surface on 1st and mesial surface on 2nd primary molar teeth on caries development in young children. SAMPLE AND METHODS: Out of 101 3-to 4-year-old children from an on-going study, 62 children, for whom parents' informed consent was given, participated. Upper and lower molar teeth of one randomly selected side received a 2-day temporarily separation. Bitewing radiographs and silicone impressions of interproximal area (IPA) were obtained...
July 22, 2017: Clinical Oral Investigations
https://www.readbyqxmd.com/read/28735457/impact-of-sentinel-lymph-node-biopsy-by-ultrasound-guided-core-needle-biopsy-for-patients-with-suspicious-node-positive-breast-cancer
#3
Rikiya Nakamura, Naohito Yamamoto, Toshiko Miyaki, Makiko Itami, Nobumitsu Shina, Masayuki Ohtsuka
PURPOSE: The purpose of this study was to investigate the accuracy of preoperative diagnostic tools for axillary lymph nodes (LNs) staging of breast cancer. MATERIALS AND METHODS: A total of 2464 consecutive patients with operable breast cancer were prospectively identified at our institution between April 2012 and March 2017. Patients with suspicious axillary LN of breast cancer were assessed using preoperative ultrasound(US) or computed tomography (CT), underwent fine-needle aspiration cytology (FNA) or core needle biopsy (CNB)...
July 22, 2017: Breast Cancer: the Journal of the Japanese Breast Cancer Society
https://www.readbyqxmd.com/read/28735366/further-validation-of-the-affective-bias-test-for-predicting-antidepressant-and-pro-depressant-risk-effects-of-pharmacological-and-social-manipulations-in-male-and-female-rats
#4
Justyna K Hinchcliffe, Sarah A Stuart, Michael Mendl, Emma S J Robinson
RATIONALE: Affective biases are hypothesised to contribute to the cause and treatment of mood disorders. We have previously found that affective biases, associated with learning and memory, are observed following acute treatments with a range of antidepressant and pro-depressant manipulations. OBJECTIVE: This study aimed to test if similar biases are observed in male and female Sprague Dawley (SD) rats. We also test whether the stress hormone, corticosterone, induces a negative bias in the affective bias test (ABT) consistent with its putative role in the development of depression...
July 22, 2017: Psychopharmacology
https://www.readbyqxmd.com/read/28735330/expiration-date-prediction-of-biocontrol-agent-prepared-with-bacillus-subtilis-b579-using-the-accelerated-aging-method
#5
Yu Zheng, Xiaoyang Jiao, Fang Chen, Xuelian Wang, Min Wang
The expiration date of biopesticidal products is an essential feature of their use and storage. In the present work, the expiration date of biocontrol agent was predicted using the accelerated aging method. The available bacteria in Bacillus subtilis B579 biocontrol agent were 3.7 ± 0.2 × 10(11) CFU/g. It is calculated that the expiration date of the agent was about 17 months at 25°C. During this period, the available bacteria retained more than 90% of the value in the initial product. Thus, this work suggests the expiration date of biocontrol agents composed with spores could be estimated using the accelerated aging method...
January 2, 2017: Polish Journal of Microbiology
https://www.readbyqxmd.com/read/28735258/risk-of-rehospitalisation-and-death-for-vulnerable-new-zealand-children
#6
Jane Oliver, Tim Foster, Amanda Kvalsvig, Deborah A Williamson, Michael G Baker, Nevil Pierse
OBJECTIVES: There is considerable need to improve the effectiveness of healthcare to reduce morbidity and mortality. Child hospitalisations are influenced by determinants of health, including the home environment. Our aims were: (1) To investigate whether children hospitalised with potentially avoidable conditions thought to be associated with the home have an increased risk of rehospitalisation and death, (2) To investigate whether children hospitalised with particular subgroups of potentially avoidable conditions have an increased risk of rehospitalisation and death, (3) To assess the usefulness of these subgroups for identifying at-risk children...
July 22, 2017: Archives of Disease in Childhood
https://www.readbyqxmd.com/read/28735242/transcriptomic-analysis-of-the-larva-taenia-multiceps
#7
W H Li, N Z Zhang, L Yue, Y Yang, L Li, H B Yan, T T Li, Z G Qu, W Z Jia, B Q Fu
Taenia multiceps is an adult worm affiliated to Taeniidae family, Platyhelminthes phylum. The larvae of the parasite (Coenurus cerebralis) parasitic in the brain and spinal cord in domestic and wild ruminants or humans can led to a fatal central nervous system (CNS) disease. The aims of the present study were to define the transcriptome profiles of the larvae of T. multiceps by RNA-Seq approach, and to generate large functional gene datasets that could be used to predict the key molecular pathways linked to this cestode...
July 12, 2017: Research in Veterinary Science
https://www.readbyqxmd.com/read/28735235/linear-solvation-energy-relationship-to-predict-the-adsorption-of-aromatic-contaminants-on-graphene-oxide
#8
Sujie Shan, Ying Zhao, Huan Tang, Fuyi Cui
In this study, adsorption capability of aromatic contaminants on graphene oxide (GO) was predicted using linear solvation energy relationship (LSER) model for the first time. Adsorption data of 44 aromatic compounds collected from literature and our experimental results were used to establish LSER models with multiple linear regression. High value of R(2) (0.919), strong robustness (QLoo(2) = 0.862), and desirable predictability (Qext(2) = 0.834) demonstrated the model worked well for predicting the adsorption of small aromatic contaminants (descriptor V<3...
July 14, 2017: Chemosphere
https://www.readbyqxmd.com/read/28735210/moisture-content-prediction-in-poultry-litter-using-artificial-intelligence-techniques-and-monte-carlo-simulation-to-determine-the-economic-yield-from-energy-use
#9
José Octavio Rico-Contreras, Alberto Alfonso Aguilar-Lasserre, Juan Manuel Méndez-Contreras, Jhony Josué López-Andrés, Gabriela Cid-Chama
The objective of this study is to determine the economic return of poultry litter combustion in boilers to produce bioenergy (thermal and electrical), as this biomass has a high-energy potential due to its component elements, using fuzzy logic to predict moisture and identify the high-impact variables. This is carried out using a proposed 7-stage methodology, which includes a statistical analysis of agricultural systems and practices to identify activities contributing to moisture in poultry litter (for example, broiler chicken management, number of air extractors, and avian population density), and thereby reduce moisture to increase the yield of the combustion process...
July 20, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28735171/encoding-of-coordination-complexes-with-xml
#10
P Vinoth, P Sankar
An in-silico system to encode structure, bonding and properties of coordination complexes is developed. The encoding is achieved through a semantic XML markup frame. Composition of the coordination complexes is captured in terms of central atom and ligands. Structural information of central atom is detailed in terms of electron status of valence electron orbitals. The ligands are encoded with specific reference to the electron environment of ligand centre atoms. Behaviour of ligands to form low or high spin complexes is accomplished by assigning a Ligand Centre Value to every ligand based on the electronic environment of ligand centre atom...
July 13, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28735154/accuracy-of-c-reactive-protein-as-a-bacterial-infection-marker-in-critically-immunosuppressed-patients-a-systematic-review-and-meta-analysis
#11
REVIEW
Vanessa Martins de Oliveira, Rafael Barberena Moraes, Airton Tetelbom Stein, Eliana Márcia Wendland
BACKGROUND: There is a need for a better understanding of the role of C-reactive protein (CRP) as a valid marker for the detection of bacterial infections in critically immunosuppressed patients. A high negative predictive value of CRP is also needed to rule out sepsis and bacterial infections in immunocompetent patients. However, few studies have evaluated the performance of CRP in immunocompromised hosts. The aim of the present study was to evaluate the performance of CRP as a marker of infection in critically immunosuppressed patients...
July 15, 2017: Journal of Critical Care
https://www.readbyqxmd.com/read/28735063/serum-uric-acid-as-a-simple-risk-factor-in-patients-with-rheumatic-heart-disease-undergoing-valve-replacement-surgery
#12
Xue-Biao Wei, Lei Jiang, Yuan-Hui Liu, Du Feng, Peng-Cheng He, Jiyan Chen, Dan-Qing Yu, Ning Tan
BACKGROUND: We evaluated the relationship between admission serum uric acid (SUA) and in-hospital and one-year mortality after valve replacement surgery (VRS) for patients with rheumatic heart disease (RHD). METHODS: One-thousand five-hundred thirty-six consecutive patients with RHD undergoing VRS were divided into 4 groups based on the quartiles of SUA on admission. The association between SUA and adverse outcomes was analyzed. RESULTS: The in-hospital mortality (2...
July 19, 2017: Clinica Chimica Acta; International Journal of Clinical Chemistry
https://www.readbyqxmd.com/read/28734909/prognostic-value-of-exercise-stress-echocardiography-in-asymptomatic-patients-with-aortic-valve-stenosis
#13
Coppelia Goublaire, Maria Melissopoulou, David Lobo, Naozumi Kubota, Constance Verdonk, Claire Cimadevilla, Isabelle Codogno, Eric Brochet, Alec Vahanian, David Messika-Zeitoun
OBJECTIVES: This study sought to evaluate the prognostic value of mean pressure gradient (MPG) increase and peak systolic pulmonary artery pressure (SPAP) measured during exercise stress echocardiography in asymptomatic patients with aortic stenosis (AS). BACKGROUND: Exercise testing is recommended in asymptomatic AS patients, but the additional value of exercise-stress echocardiography, especially the prognostic value of MPG increase and peak SPAP, is still debated...
July 13, 2017: JACC. Cardiovascular Imaging
https://www.readbyqxmd.com/read/28734907/predicting-relapse-in-schizophrenia-is-bdnf-a-plausible-biological-marker
#14
Anilkumar Pillai, Nina R Schooler, Diya Peter, Stephen W Looney, Donald C Goff, Alexander Kopelowicz, John Lauriello, Theo Manschreck, Alan Mendelowitz, Del D Miller, Joanne B Severe, Daniel R Wilson, Donna Ames, Juan Bustillo, John M Kane, Peter F Buckley
Understanding the biological processes that underlie why patients relapse is an issue of fundamental importance to the detection and prevention of relapse in schizophrenia. Brain Derived Neurotrophic Factor (BDNF), a facilitator of brain plasticity, is reduced in patients with schizophrenia. In the present study, we examined whether decreases in plasma BDNF levels could be used as a biological predictor of relapse in schizophrenia. A total of 221 patients were prospectively evaluated for relapse over 30months in the Preventing Relapse in Schizophrenia: Oral Antipsychotics Compared to Injectables: eValuating Efficacy (PROACTIVE) study...
July 19, 2017: Schizophrenia Research
https://www.readbyqxmd.com/read/28734854/pulse-pressure-variation-as-a-guide-for-volume-expansion-in-dogs-undergoing-orthopedic-surgery
#15
Denise T Fantoni, Keila K Ida, André M Gimenes, Matheus M Mantovani, Jacqueline R Castro, Geni C F Patrício, Aline M Ambrósio, Denise A Otsuki
OBJECTIVE: To investigate whether pulse pressure variation (PPV) can predict fluid responsiveness in healthy dogs during clinical surgery. STUDY DESIGN: Prospective clinical study. ANIMALS: Thirty-three isoflurane-anesthetized dogs with arterial hypotension during orthopedic surgery. METHODS: Fluid challenge with lactated Ringer's solution (15 mL kg(-1) in 15 minutes) was administered in mechanically ventilated dogs (tidal volume 10 mL kg(-1)) with hypotension [mean arterial pressure (MAP) < 65 mmHg]...
March 22, 2017: Veterinary Anaesthesia and Analgesia
https://www.readbyqxmd.com/read/28734846/matrix-gla-protein-t-138c-polymorphism-is-associated-with-carotid-intima-media-thickness-and-predicts-mortality-in-patients-with-diabetic-nephropathy
#16
Stefanos Roumeliotis, Athanasios Roumeliotis, Stylianos Panagoutsos, Efstathia Giannakopoulou, Nikolaos Papanas, Vangelis G Manolopoulos, Ploumis Passadakis, Anna Tavridou
AIMS: We sought to determine the predictive value of Matrix Gla Protein MGP T-138C polymorphism in relation to all-cause mortality, cardiovascular mortality and cardiovascular events in patients with diabetic nephropathy (DN). METHODS: MGP T-138C polymorphism was assessed in 40 diabetic patients without nephropathy and 118 patients at different stages of DN, including patients on hemodialysis. Measurement of carotid intima-media thickness (cIMT) was performed using real-time B-mode ultrasonography...
June 30, 2017: Journal of Diabetes and its Complications
https://www.readbyqxmd.com/read/28734793/hardware-failure-in-patients-with-metastatic-cancer-to-the-spine
#17
Rachel Pedreira, Nancy Abu-Bonsrah, A Karim Ahmed, Rafael De la Garza-Ramos, C Rory Goodwin, Ziya L Gokaslan, Justin Sacks, Daniel M Sciubba
BACKGROUND: The spine is the most common site of skeletal metastases, affecting approximately 30% of individuals with cancer. The aim of surgical treatment for metastatic spine disease is generally palliative to address pain and/or neurologic compromise, significantly improving patients' quality of life. Patients with metastatic spine disease, however, represent a vulnerable cohort and may have comorbidities or previous treatments that impair the structural integrity of spinal hardware...
July 19, 2017: Journal of Clinical Neuroscience: Official Journal of the Neurosurgical Society of Australasia
https://www.readbyqxmd.com/read/28734778/diagnostic-value-of-18-f-fdg-pet-ct-for-the-follow-up-and-restaging-of-soft-tissue-sarcomas-in-adults
#18
T W Kassem, O Abdelaziz, S Emad-Eldin
PURPOSE: The purpose of this study was to evaluate the clinical utility of 2-[(18)F] fluoro-2-deoxy-D-glucose ((18)FDG) positron emission tomography (PET)/computed tomography (CT) ((18)F-FDG-PET/CT) in the follow-up of adult patients with soft tissue sarcomas. MATERIALS AND METHODS: We prospectively evaluated 37 consecutive patients with known soft tissue sarcoma with (18)F-FDG-PET/CT examination for suspected recurrence of disease. They were 21 men and 16 women with a mean age of 49...
July 19, 2017: Diagnostic and Interventional Imaging
https://www.readbyqxmd.com/read/28734710/use-of-trabecular-bone-score-tbs-as-a-complementary-approach-to-dual-energy-x-ray-absorptiometry-dxa-for-fracture-risk-assessment-in-clinical-practice
#19
Enisa Shevroja, Olivier Lamy, Lynn Kohlmeier, Fjorda Koromani, Fernando Rivadeneira, Didier Hans
Osteoporosis is a common bone disease characterized by low bone mass and altered bone microarchitecture, resulting in decreased bone strength with an increased risk of fractures. In clinical practice, physicians can assess the risk of fracture for a patient based on several risk factors. Some such as age, weight, and history of fractures after 50 years of age, parental fracture, smoking status, and alcohol intake are incorporated into FRAX, an assessment tool that estimates the 10-year probability of hip fracture and major osteoporotic fractures based on the individual's risk factors profile...
July 19, 2017: Journal of Clinical Densitometry
https://www.readbyqxmd.com/read/28734696/-18-f-fluoromisonidazole-positron-emission-tomography-fmiso-pet-may-reflect-hypoxia-and-cell-proliferation-activity-in-oral-squamous-cell-carcinoma
#20
Jun Sato, Yoshimasa Kitagawa, Shiro Watanabe, Takuya Asaka, Noritaka Ohga, Kenji Hirata, Shozo Okamoto, Tohru Shiga, Masanobu Shindoh, Yuji Kuge, Nagara Tamaki
OBJECTIVE: Hypoxia is a common feature and prognostic factor in cancer. (18)F-fluoromisonidazole (FMISO) positron emission tomography (PET) can detect tumor hypoxia noninvasively. The aim of this study was to assess the correlations between FMISO-PET and (18) F-fluorodexyglucose (FDG)-PET parameters with cell proliferation and hypoxia in patients with oral squamous cell carcinoma (OSCC). STUDY DESIGN: Twenty-three preoperative patients with OSCC were included. The tumor/muscle ratio (TMR) of FMISO-PET, the maximum standardized uptake values (SUVmax) of FDG-PET, metabolic tumor volume, and total lesion glycolysis were measured...
June 8, 2017: Oral Surgery, Oral Medicine, Oral Pathology and Oral Radiology
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