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https://www.readbyqxmd.com/read/28910530/an-efficient-implicit-solvation-method-for-full-potential-dft
#1
Markus Sinstein, Christoph Scheurer, Sebastian Matera, Volker Blum, Karsten Reuter, Harald Oberhofer
With the advent of efficient electronic structure methods, effective continuum solvation methods have emerged as a way to, at least partially, include solvent effects into simulations without the need for expensive sampling over solvent degrees of freedom. The multipole moment expansion (MPE) model, while based on ideas initially put forward almost 100 years ago, has recently been updated for the needs of modern electronic structure calculations. Indeed, for an all-electron code relying on localized basis sets and---more importantly---a multipole moment expansion of the electrostatic potential, the MPE method presents a particularly cheap way of solving the macroscopic Poisson equation to determine the electrostatic response of a medium surrounding a solute...
September 14, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28876956/pd-catalyzed-thiophene-aryl-coupling-reaction-via-c-h-bond-activation-in-deep-eutectic-solvents
#2
Angela Punzi, Donato I Coppi, Sergio Matera, Maria A M Capozzi, Alessandra Operamolla, Roberta Ragni, Francesco Babudri, Gianluca M Farinola
Direct arylation of 5-octylthieno[3,4-c]pyrrole-4,6-dione with a series of functionalized aryl iodides via C-H bond activation is demonstrated in a deep eutectic solvent made of choline chloride and urea in non-anhydrous conditions and without exclusion of air. This is the first demonstration of a thiophene-aryl coupling via direct arylation in deep eutectic solvents.
September 6, 2017: Organic Letters
https://www.readbyqxmd.com/read/28855442/evaluating-the-statistical-methodology-of-randomized-trials-on-dentin-hypersensitivity-management
#3
Domenica Matranga, Federico Matera, Giuseppe Pizzo
The present study aimed to evaluate the characteristics and quality of statistical methodology used in clinical studies on dentin hypersensitivity management. An electronic search was performed for data published from 2009 to 2014 by using PubMed, Ovid/MEDLINE, and Cochrane Library databases. The primary search terms were used in combination. Eligibility criteria included randomized clinical trials that evaluated the efficacy of desensitizing agents in terms of reducing dentin hypersensitivity. A total of 40 studies were considered eligible for assessment of quality statistical methodology...
August 31, 2017: Journal of Oral Science
https://www.readbyqxmd.com/read/28840493/orthorexia-nervosa-relationship-with-obsessive-compulsive-symptoms-disordered-eating-patterns-and-body-uneasiness-among-italian-university-students
#4
Anna Brytek-Matera, Maria Luisa Fonte, Eleonora Poggiogalle, Lorenzo Maria Donini, Hellas Cena
INTRODUCTION: The present study aimed to investigate the relationship between ORTO-15 score and obsessive-compulsive symptoms, disordered eating patterns and body uneasiness among female and male university students and to examine the predictive model of ORTO-15 in both groups. METHODS: One hundred and twenty students participated in the present study (mean age 22.74 years, SD 7.31). The ORTO-15 test, the Maudsley Obsessive-Compulsive Questionnaire, the Eating Attitudes Test-26 and the Body Uneasiness Test were used for the present study...
August 24, 2017: Eating and Weight Disorders: EWD
https://www.readbyqxmd.com/read/28820906/exposure-to-fine-particulate-matter-in-the-air-alters-placental-structure-and-the-renin-angiotensin-system
#5
Sônia de Fátima Soto, Juliana Oliveira de Melo, Guilherme D'Aprile Marchesi, Karen Lucasechi Lopes, Mariana Matera Veras, Ivone Braga de Oliveira, Regiane Machado de Souza, Isac de Castro, Luzia Naôko Shinohara Furukawa, Paulo Hilário Nascimento Saldiva, Joel C Heimann
METHODS: Female Wistar rats were exposed to filtered air (F) or to concentrated fine particulate matter (P) for 15 days. After mating, the rats were divided into four groups and again exposed to F or P (FF, FP, PF, PP) beginning on day 6 of pregnancy. At embryonic day 19, the placenta was collected. The placental structure, the protein and gene expression of TGFβ1, VEGF-A, and its receptor Flk-1 and RAS were evaluated by indirect ELISA and quantitative real-time PCR. RESULTS: Exposure to P decreased the placental mass, size, and surface area as well as the TGFβ1, VEGF-A and Flk-1 content...
2017: PloS One
https://www.readbyqxmd.com/read/28769001/selected-physicochemical-and-biological-properties-of-ethyl-ascorbic-acid-compared-to-ascorbic-acid
#6
Iwona Golonka, Monika Oleksy, Adam Junka, Agnieszka Matera-Witkiewicz, Marzenna Bartoszewicz, Witold Musiał
The aim of the work was the evaluation of selected biological and physicochemical, applicative properties of ethylated ascorbic acid (AAE) compared to ascorbic acid (AA). Thermogravimetry (TG), differential thermogravimetry (DTG), and differential thermal analysis (DTA) were conducted, followed by the evaluation of AAE decomposition by the UV-Vis spectroscopic method including the influence of temperature and pH. Scavenging, antimicrobial activity and cytotoxicity against L929 fibroblasts were also performed...
2017: Biological & Pharmaceutical Bulletin
https://www.readbyqxmd.com/read/28753070/impact-of-mucolytic-agents-on-copd-exacerbations-a-pair-wise-and-network-meta-analysis
#7
Mario Cazzola, Paola Rogliani, Luigino Calzetta, Nicola A Hanania, Maria Gabriella Matera
Mucolytics are potentially useful for the management of chronic obstructive pulmonary disease (COPD), although there is conflicting advice on their use in different guideline documents. Furthermore, there is paucity of data comparing the efficacy of the different mucolytic agents in reducing the odds of COPD exacerbations. We performed pair-wise and network meta-analyses to evaluate the impact of mucoly-tics in COPD. Randomized clinical trials lasting at least 3 months and investigating the effects of mucolytics on COPD exacerbations were identified from published studies and repository databases...
October 2017: COPD
https://www.readbyqxmd.com/read/28745522/pharmacological-characterization-of-the-interaction-between-tiotropium-and-olodaterol-administered-at-5-5-concentration-ratio-in-equine-bronchi
#8
Luigino Calzetta, Paola Rogliani, Maurizio Mattei, Pietro Alfonsi, Giuseppe Cito, Elena Pistocchini, Mario Cazzola, Maria Gabriella Matera
Equine airways represent a suitable ex vivo model to study the functional impact of pharmacological treatments on human chronic obstructive pulmonary disorders, such as asthma and chronic obstructive pulmonary disease (COPD). We aimed to characterize the pharmacological interaction between the long-acting muscarinic antagonist (LAMA) tiotropium and the long-acting β2-agonist (LABA) olodaterol in equine airways. The effect of tiotropium and olodaterol, administered alone and in combination at the ratio of concentrations reproducing ex vivo the concentration-ratio delivered by the currently available fixed-dose combination (FDC) (5:5), was investigated on the cholinergic contractile tone induced by the parasympathetic activation of equine isolated airways...
July 26, 2017: COPD
https://www.readbyqxmd.com/read/28737051/pharmacokinetic-pharmacodynamic-drug-evaluation-of-benralizumab-for-the-treatment-of-asthma
#9
Maria Gabriella Matera, Luigino Calzetta, Barbara Rinaldi, Mario Cazzola
In many severe asthmatics, eosinophils cause inflammation and airways hyperresponsiveness, resulting in frequent exacerbations, impaired lung function, and reduced quality of life. Interleukin-5 (IL-5) is a key cytokine for eosinophil growth, differentiation, recruitment, activation, and survival. Anti-IL-5-based therapies (mepolizumab and reslizumab are humanized monoclonal antibodies (hmAbs) that recognize free IL-5, benralizumab is a hmAb directed at the α subunit of the IL-5R) target the IL-5-signaling in eosinophilic asthma...
September 2017: Expert Opinion on Drug Metabolism & Toxicology
https://www.readbyqxmd.com/read/28732818/adherence-to-copd-treatment-myth-and-reality
#10
REVIEW
Paola Rogliani, Josuel Ora, Ermanno Puxeddu, Maria Gabriella Matera, Mario Cazzola
COPD is a chronic disease in which effective management requires long-term adherence to pharmacotherapies but the level of adhesion to the prescribed medications is very low and this has a negative influence on outcomes. There are several approaches to detect non-adherence, such as pharmacy refill methods, electronic monitoring, and self-report measures, but they are all burdened with important limitations. Medication adherence in COPD is multifactorial and is affected by patients (health beliefs, cognitive abilities, self-efficacy, comorbidities, psychological profile, conscientiousness), physicians (method of administration, dosing regimen, polypharmacy, side effects), and society (patient-prescriber relationship, social support, access to medication, device training, follow-up)...
August 2017: Respiratory Medicine
https://www.readbyqxmd.com/read/28716723/pharmacological-characterization-of-the-interaction-between-umeclidinium-and-vilanterol-in-human-bronchi
#11
Luigino Calzetta, Paola Rogliani, Francesco Facciolo, Erino Rendina, Mario Cazzola, Maria Gabriella Matera
The long-acting β2-agonist (LABA) / long-acting muscarinic antagonist (LAMA) fixed dose combination (FDC) therapy represents the cornerstone for the treatment of chronic obstructive pulmonary disease (COPD). Nevertheless, conflicting clinical findings still exist on the real benefit of the LABA/LAMA FDCs. Therefore, we investigated whether combining the LABA vilanterol with the LAMA umeclidinium may induce synergistic bronchorelaxant effect in isolated airways. The effect of umeclidinium and vilanterol, administered alone, in combination at the ratio of concentrations reproducing the doses delivered by Anoro(®) Ellipta(®) (55:22), or at isoeffective low concentrations, was investigated on the cholinergic contractile tone induced by the parasympathetic activation of human isolated airways...
July 14, 2017: European Journal of Pharmacology
https://www.readbyqxmd.com/read/28670125/risk-factors-for-the-existence-of-attention-deficit-hyperactivity-disorder-symptoms-in-children-with-autism-spectrum-disorders
#12
Anna Linda Lamanna, Francesco Craig, Emilia Matera, Marta Simone, Maura Buttiglione, Lucia Margari
Over the years, several authors have reported symptoms of attention deficit hyperactivity disorder (ADHD) in patients with autism spectrum disorders (ASD); however, studies on the risk factors of ADHD symptoms in children with ASD are lacking. The aim of this cross-sectional study was to identify the risk factors for the development of ADHD symptoms in children with ASD. The sample consisted of 67 children with ASD who were assessed with Conner's Parent Rating Scale-Revised (CPRS-R), and with a semi-structured detailed interview administered to parents, to collect a series of clinical data such as coexisting somatic and neuropsychiatric problems and familial and pre/peri/postpartum risk factors...
2017: Neuropsychiatric Disease and Treatment
https://www.readbyqxmd.com/read/28644674/constraints-on-oscillation-parameters-from-%C3%AE-_-e-appearance-and-%C3%AE-_-%C3%AE-disappearance-in-nova
#13
P Adamson, L Aliaga, D Ambrose, N Anfimov, A Antoshkin, E Arrieta-Diaz, K Augsten, A Aurisano, C Backhouse, M Baird, B A Bambah, K Bays, B Behera, S Bending, R Bernstein, V Bhatnagar, B Bhuyan, J Bian, T Blackburn, A Bolshakova, C Bromberg, J Brown, G Brunetti, N Buchanan, A Butkevich, V Bychkov, M Campbell, E Catano-Mur, S Childress, B C Choudhary, B Chowdhury, T E Coan, J A B Coelho, M Colo, J Cooper, L Corwin, L Cremonesi, D Cronin-Hennessy, G S Davies, J P Davies, P F Derwent, R Dharmapalan, P Ding, Z Djurcic, E C Dukes, H Duyang, S Edayath, R Ehrlich, G J Feldman, M J Frank, M Gabrielyan, H R Gallagher, S Germani, T Ghosh, A Giri, R A Gomes, M C Goodman, V Grichine, R Group, D Grover, B Guo, A Habig, J Hartnell, R Hatcher, A Hatzikoutelis, K Heller, A Himmel, A Holin, J Hylen, F Jediny, M Judah, G K Kafka, D Kalra, S M S Kasahara, S Kasetti, R Keloth, L Kolupaeva, S Kotelnikov, I Kourbanis, A Kreymer, A Kumar, S Kurbanov, K Lang, W M Lee, S Lin, J Liu, M Lokajicek, J Lozier, S Luchuk, K Maan, S Magill, W A Mann, M L Marshak, K Matera, V Matveev, D P Méndez, M D Messier, H Meyer, T Miao, W H Miller, S R Mishra, R Mohanta, A Moren, L Mualem, M Muether, S Mufson, R Murphy, J Musser, J K Nelson, R Nichol, E Niner, A Norman, T Nosek, Y Oksuzian, A Olshevskiy, T Olson, J Paley, P Pandey, R B Patterson, G Pawloski, D Pershey, O Petrova, R Petti, S Phan-Budd, R K Plunkett, R Poling, B Potukuchi, C Principato, F Psihas, A Radovic, R A Rameika, B Rebel, B Reed, D Rocco, P Rojas, V Ryabov, K Sachdev, P Sail, O Samoylov, M C Sanchez, R Schroeter, J Sepulveda-Quiroz, P Shanahan, A Sheshukov, J Singh, J Singh, P Singh, V Singh, J Smolik, N Solomey, E Song, A Sousa, K Soustruznik, M Strait, L Suter, R L Talaga, M C Tamsett, P Tas, R B Thayyullathil, J Thomas, X Tian, S C Tognini, J Tripathi, A Tsaris, J Urheim, P Vahle, J Vasel, L Vinton, A Vold, T Vrba, B Wang, M Wetstein, D Whittington, S G Wojcicki, J Wolcott, N Yadav, S Yang, J Zalesak, B Zamorano, R Zwaska
Results are reported from an improved measurement of ν_{μ}→ν_{e} transitions by the NOvA experiment. Using an exposure equivalent to 6.05×10^{20} protons on target, 33 ν_{e} candidates are observed with a background of 8.2±0.8 (syst.). Combined with the latest NOvA ν_{μ} disappearance data and external constraints from reactor experiments on sin^{2}2θ_{13}, the hypothesis of inverted mass hierarchy with θ_{23} in the lower octant is disfavored at greater than 93% C.L. for all values of δ_{CP}.
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28641717/soluble-cd14-subtype-a-new-biomarker-in-predicting-the-outcome-of-critically-ill-septic-patients
#14
Giovanni Matera, Angela Quirino, Cinzia Peronace, Pio Settembre, Vito Marano, Maria T Loria, Nadia Marascio, Luisa Galati, Giorgio S Barreca, Aida Giancotti, Bruno Amantea, Maria C Liberto, Alfredo Focà
BACKGROUND: We evaluated the role of presepsin (soluble CD14 subtype, sCD14-ST) in predicting the outcome of critically ill septic patients in parallel with procalcitonin and C-reactive protein. METHODS: This study was an observational, prospective study that enrolled 58 surgical and medical intensive care unit patients with suspected sepsis. All studied subjects were retrospectively stratified into survivors and nonsurvivors based on 28 days survival and according to microbiological results in blood culture positive and negative groups...
June 2017: American Journal of the Medical Sciences
https://www.readbyqxmd.com/read/28606478/withdrawal-of-inhaled-corticosteroids-in-copd-a-meta-analysis
#15
Luigino Calzetta, Maria Gabriella Matera, Fulvio Braido, Marco Contoli, Angelo Corsico, Fabiano Di Marco, Pierachille Santus, Nicola Scichilone, Mario Cazzola, Paola Rogliani
BACKGROUND: Conflicting findings exist on the benefit of withdrawal of inhaled corticosteroid (ICS) in chronic obstructive pulmonary disease (COPD). We performed a quantitative synthesis in order to assess real impact of ICS discontinuation in COPD patients. METHODS: We carried out a meta-analysis via random-effects model on the available clinical evidence to evaluate the effect of ICS discontinuation in COPD. Randomized clinical trials and observational real-life studies investigating the effects of ICS withdrawal on the risk of COPD exacerbation, lung function (forced expiratory volume in 1 s [FEV1]) and quality of life (St...
August 2017: Pulmonary Pharmacology & Therapeutics
https://www.readbyqxmd.com/read/28606109/neurophysiological-assessment-of-spinal-cord-injuries-in-dogs-using-somatosensory-and-motor-evoked-potentials
#16
REVIEW
Maria Claudia Campos Mello Inglez de Souza, Ricardo José Rodriguez Ferreira, Geni Cristina Fonseca Patricio, Julia Maria Matera
Somatosensory evoked potentials (SSEPs) and motor evoked potentials (MEPs) are non-invasive neurophysiological tests that reflect the functional integrity of sensory and motor pathways. Despite their extensive use and description in human medicine, reports in veterinary medicine are scarce. SSEPs are obtained via peripheral stimulation of sensory or mixed nerves; stimulation induces spinal and cortical responses, which are recorded when sensory pathways integrity is preserved. MEPs can be obtained via transcranial electrical or magnetic stimulation; in this case, thoracic and pelvic limb muscle responses are captured if motor pathways are preserved...
June 12, 2017: Acta Veterinaria Scandinavica
https://www.readbyqxmd.com/read/28576619/three-different-hepatozoon-species-in-domestic-cats-from-southern-italy
#17
Alessio Giannelli, Maria Stefania Latrofa, Yaarit Nachum-Biala, Adnan Hodžić, Grazia Greco, Anna Attanasi, Giada Annoscia, Domenico Otranto, Gad Baneth
Three species of Hepatozoon, namely, Hepatozoon felis, Hepatozoon canis and Hepatozoon silvestris may affect domestic and/or wild felids. Although hepatozoonosis has been documented in a wide range of mammal species, data on cats are limited. To investigate the occurrence of these pathogens in cats, blood samples were collected from animals living in three provinces of southern Italy (Bari, Lecce, and Matera), and molecularly analysed by PCR amplification and sequencing of segments of the 18S rRNA gene. Out of 196 blood samples collected, Hepatozoon spp...
August 2017: Ticks and Tick-borne Diseases
https://www.readbyqxmd.com/read/28527922/bronchodilator-therapy-for-chronic-cough
#18
REVIEW
Maria Gabriella Matera, Paola Rogliani, Alessandro Zanasi, Mario Cazzola
Experimental studies indicate that airway calibre increases the sensitivity of the afferents involved in the cough reflex but it has proved difficult to demonstrate that airway calibre increases the sensitivity of the afferents involved in the cough reflex. Therefore, bronchodilators might have a role, although rather minor, in the treatment of cough. However, although bronchodilators represent the standard of care in the treatment of airway obstruction associated with asthma or COPD, controversy persists regarding the mechanism(s) by which these agents alleviate cough...
May 17, 2017: Pulmonary Pharmacology & Therapeutics
https://www.readbyqxmd.com/read/28494140/identification-of-%C3%AE-7-nicotinic-acetylcholine-receptor-silent-agonists-based-on-the-spirocyclic-quinuclidine-%C3%AE-2-isoxazoline-scaffold-synthesis-and-electrophysiological-evaluation
#19
Marta Quadri, Carlo Matera, Almin Silnović, Maria Chiara Pismataro, Nicole A Horenstein, Clare Stokes, Roger L Papke, Clelia Dallanoce
Compound 11 (3-(benzyloxy)-1'-methyl-1'-azonia-4H-1'-azaspiro[isoxazole-5,3'-bicyclo[2.2.2]octane] iodide) was selected from a previous set of nicotinic ligands as a suitable model compound for the design of new silent agonists of α7 nicotinic acetylcholine receptors (nAChRs). Silent agonists evoke little or no channel activation but can induce the α7 desensitized Ds state, which is sensitive to a type II positive allosteric modulator, such as PNU-120596. Introduction of meta substituents into the benzyloxy moiety of 11 led to two sets of tertiary amines and quaternary ammonium salts based on the spirocyclic quinuclidinyl-Δ(2) -isoxazoline scaffold...
August 22, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28480770/an-update-on-the-pharmacotherapeutic-management-of-lower-respiratory-tract-infections
#20
REVIEW
Mario Cazzola, Paola Rogliani, Stefano Aliberti, Francesco Blasi, Maria Gabriella Matera
Our knowledge about lower respiratory tract infections (LRTIs) has improved substantially in the last years, but the management of respiratory infections is still a challenge and we are still far from using precision medicine in their treatment. Areas covered: The approaches developed in recent years to improve the pharmacotherapeutic management of LRTIs, such as novel diagnostic assays to facilitate medical decision-making, attempts for selecting an optimal empiric antibiotic regimen, and the role of new and possibly unproven adjunctive therapies, are described...
July 2017: Expert Opinion on Pharmacotherapy
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