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https://www.readbyqxmd.com/read/28800152/prediction-of-the-reduction-potential-in-transition-metal-containing-complexes-how-expensive-for-what-accuracy
#1
Guangchao Liang, Nathan J DeYonker, Xuan Zhao, Charles Edwin Webster
Accurate computationally derived reduction potentials are important for catalyst design. In this contribution, relatively inexpensive density functional theory methods are evaluated for computing reduction potentials of a wide variety of organic, inorganic, and organometallic complexes. Astonishingly, SCRF single points on B3LYP optimized geometries with a reasonably small basis set/ECP combination works quite well--B3LYP with the BS1 [modified-LANL2DZ basis set/ECP (effective core potential) for metals, LANL2DZ(d,p) basis set/LANL2DZ ECP for heavy nonmetals (Si, P, S, Cl, and Br), and 6-31G(d') for other elements (H, C, N, O, and F)] and implicit PCM solvation models, SMD (solvation model based on density) or IEFPCM (integral equation formalism polarizable continuum model with Bondi atomic radii and α = 1...
August 11, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28793253/non-classical-protein-excretion-is-boosted-by-psm%C3%AE-induced-cell-leakage
#2
Patrick Ebner, Arif Luqman, Sebastian Reichert, Ksenia Hauf, Peter Popella, Karl Forchhammer, Michael Otto, Friedrich Götz
Release of cytoplasmic proteins into the supernatant occurs both in bacteria and eukaryotes. Because the underlying mechanism remains unclear, the excretion of cytoplasmic proteins (ECP) has been referred to as "non-classical protein secretion." We show that none of the known specific protein transport systems of Gram-positive bacteria are involved in ECP. However, the expression of the cationic and amphipathic α-type phenol-soluble modulins (PSMs), particularly of PSMα2, significantly increase ECP, while PSMβ peptides or δ-toxin have no effect on ECP...
August 8, 2017: Cell Reports
https://www.readbyqxmd.com/read/28792420/primary-culture-of-zhikong-scallop-chlamys-farreri-hemocytes-as-an-in-vitro-model-for-studying-host-pathogen-interactions
#3
Aichang Ji, Xueyu Li, Sha Fang, Zhenkui Qin, Changming Bai, Chongming Wang, Zhifeng Zhang
Primary cultured cells can be a useful tool in studies on physiology, virology, and toxicology. Hemocytes play an important role in animal rapid response to pathogen invasion. In this study, an appropriate medium for primary culture of hemocytes of the bivalve Chlamys farreri was developed by adding 5% fetal bovine serum and 1% C. farreri serum to Leibovitz L-15 medium. These primary cultured hemocytes were maintained for more than 40 d in vitro and were classified into 3 types: (1) granulocytes containing numerous granules in the cytoplasm, (2) hyalinocytes with no or few granules, (3) a small percentage of macrophage-like cells...
August 9, 2017: Diseases of Aquatic Organisms
https://www.readbyqxmd.com/read/28782257/how-to-perform-extracorporeal-photopheresis-via-port-catheter
#4
Katharina Schwede, Stephanie Nagel, Jan-Christoph Simon, Mirjana Ziemer
BACKGROUND: Extracorporeal photopheresis (ECP) is commonly performed via peripheral venous access catheter. If this is not possible, a tunneled central venous catheter may be considered. However, this access mode may be associated with high complication rates. Port catheters and permanent arteriovenous fistulas in principle could serve as alternative options; however, treatment opinions are limited. STUDY DESIGN AND METHODS: We report on four adult patients with poor peripheral vein conditions in whom we performed ECP via port catheter...
August 7, 2017: Transfusion
https://www.readbyqxmd.com/read/28776000/pharmacy-professionals-dispensing-practice-knowledge-and-attitude-towards-emergency-contraceptives-in-gondar-town-northwestern-ethiopia-a-cross-sectional-study
#5
Sewunet Admasu Belachew, Dawit Kumilachew Yimenu, Begashaw Melaku Gebresillassie
BACKGROUND: Pharmacy professionals, as the most available members of medical team, have an important role in educating patients about the effective and appropriate use of contraceptives. The purpose of this study was to assess pharmacy professionals' dispensing practice, knowledge, and attitude towards emergency contraceptives use in Gondar town, northwestern Ethiopia. METHODS: An institution based cross-sectional study was employed from May 14 to June 14, 2016, on 60 pharmacy professionals, who have been working in 8 randomly selected pharmacies and 6 drug stores...
2017: International Journal of Reproductive Medicine
https://www.readbyqxmd.com/read/28774825/extracorporeal-photochemotherapy-in-heart-transplant-rejection-a-single-center-experience
#6
REVIEW
Chiara Savignano, Cristina Rinaldi, Vincenzo Tursi, Cecilia Dolfini, Miriam Isola, Ugolino Livi, Vincenzo De Angelis
BACKGROUND: The addition of extracorporeal photochemotherapy (ECP) to standard immunosuppressive therapy has been suggested to be beneficial in the treatment of recurrent/persistent heart rejection. METHODS: We reviewed medical data of heart transplant recipients who received ECP between 2010 and 2016 at our institution. RESULTS: During the study period, eight patients underwent nine ECP courses. The median time from transplant to ECP was 18 months (range 9-54)...
July 10, 2017: Transfusion and Apheresis Science
https://www.readbyqxmd.com/read/28772839/practical-cluster-models-for-a-layered-%C3%AE-niooh-material
#7
Valeria Butera, Maytal Caspary Toroker
Due to the high oxygen evolution reaction (OER) activity, stability, and abundance of NiOx materials, they are found to be promising catalysts, competitive with expensive metal oxides such as IrO₂ and RuO₂. From a theoretical point of view, studies reported in the literature so far are mostly based on density functional theory using periodic slab models for the bulk and surface of β-NiOOH, one of the active NiOx phases. However, cluster models are a valid method to investigate many aspects about structure, charge carrier transport properties, and OER activity of β-NiOOH...
April 29, 2017: Materials
https://www.readbyqxmd.com/read/28766313/interventions-for-emergency-contraception
#8
REVIEW
Jie Shen, Yan Che, Emily Showell, Ke Chen, Linan Cheng
BACKGROUND: Emergency contraception (EC) is using a drug or copper intrauterine device (Cu-IUD) to prevent pregnancy shortly after unprotected intercourse. Several interventions are available for EC. Information on the comparative effectiveness, safety and convenience of these methods is crucial for reproductive healthcare providers and the women they serve. This is an update of a review previously published in 2009 and 2012. OBJECTIVES: To determine which EC method following unprotected intercourse is the most effective, safe and convenient to prevent pregnancy...
August 2, 2017: Cochrane Database of Systematic Reviews
https://www.readbyqxmd.com/read/28755579/estradiol-cypionate-aided-treatment-for-experimentally-induced-ascending-placentitis-in-mares
#9
Bruna R Curcio, Igor F Canisso, Fernanda M Pazinato, Luciana A Borba, Lorena S Feijó, Vitoria Muller, Ilusca S Finger, Ramiro E Toribio, Carlos E W Nogueira
The overall goal of this study was to assess the efficacy of various therapeutic combinations of estradiol cypionate (ECP, a long-acting estrogen) and altrenogest (ALT, a long-acting progestin) in addition to basic treatment for placentitis with trimethoprim-sulfamethoxazole (TMS) and flunixin meglumine (FM). Specific outcomes measured in this experiment were (i) time from induction of bacterial placentitis to delivery, and foal parameters (high-risk, survival, and birth weight); and (ii) serum steroid concentrations (progesterone, 17α-hydroxyprogesterone, 17β-estradiol, and cortisol) in response to treatment...
March 29, 2017: Theriogenology
https://www.readbyqxmd.com/read/28750792/heat-shock-proteins-70kda-eosinophil-cationic-protein-and-nitric-oxide-during-chronic-superficial-keratitis-in-dogs
#10
Renata Urban-Chmiel, Ireneusz Balicki, Andrzej Wernicki
The objective of the study is to determine the levels of eosinophil cationic protein (ECP), heat shock proteins 70, and nitric oxide ions measured as nitrite ions (Griess reaction) in dogs with chronic superficial keratitis (CSK). The study was conducted on 24 dogs with CSK. Blood sera from the animals were tested for concentrations of heat shock proteins 70, ECP, and nitrite ions before treatment and again 5 weeks and 6 months after treatment. Dogs with CSK were treated for 6 months with various regimes involving the use of ophthalmic drops containing dexamethasone, dimethyl sulfoxide, and cyclosporine...
March 2017: Topics in Companion Animal Medicine
https://www.readbyqxmd.com/read/28742098/pathological-manifestations-in-lymphatic-filariasis-correlate-with-lack-of-inhibitory-properties-of-igg4-antibodies-on-ige-activated-granulocytes
#11
Ulrich F Prodjinotho, Charlotte von Horn, Alex Y Debrah, Linda Batsa Debrah, Anna Albers, Laura E Layland, Achim Hoerauf, Tomabu Adjobimey
Helminth parasites are known to be efficient modulators of their host's immune system. To guarantee their own survival, they induce alongside the classical Th2 a strong regulatory response with high levels of anti-inflammatory cytokines and elevated plasma levels of IgG4. This particular antibody was shown in different models to exhibit immunosuppressive properties. How IgG4 affects the etiopathology of lymphatic filariasis (LF) is however not well characterized. Here we investigate the impact of plasma and affinity-purified IgG/IgG4 fractions from endemic normals (EN) and LF infected pathology patients (CP), asymptomatic microfilaraemic (Mf+) and amicrofilaraemic (Mf-) individuals on IgE/IL3 activated granulocytes...
July 2017: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/28721311/from-kaua-i-to-hawai-i-island-interisland-differences-in-emergency-contraceptive-pill-availability
#12
Holly Bullock, Mary Tschann, Jennifer Elia, Bliss Kaneshiro, Jennifer Salcedo
Emergency contraceptive pills (ECPs) are medications used after unprotected intercourse, underprotected intercourse, or sexual assault to decrease the risk of pregnancy. Availability of ECPs in Hawai'i's retail pharmacies was last assessed in 2007, following over-the-counter access to levonorgestrel ECPs (LNG-ECP) for women age 18 years or older and prior to U.S. Food and Drug Administration (FDA) approval of prescription-only ulipristal acetate (UPA). We conducted a county-by-county subanalysis from a larger observational population-based study on statewide availability of ECPs in Hawai'i's pharmacies...
July 2017: Hawai'i Journal of Medicine & Public Health: a Journal of Asia Pacific Medicine & Public Health
https://www.readbyqxmd.com/read/28684769/eosinophil-cationic-protein-ecp-a-predictive-marker-of-bullous-pemphigoid-severity-and-outcome
#13
Delphine Giusti, Gregory Gatouillat, Sébastien Le Jan, Julie Plée, Philippe Bernard, Frank Antonicelli, Bach Nga Pham
Bullous Pemphigoid (BP) is an inflammatory rare autoimmune bullous dermatosis, which outcome cannot be predicted through clinical investigations. Eosinophils are the main immune infiltrated cells in BP. However, the release of Major Basic Protein (MBP), Eosinophil Derived Neurotoxin (EDN), and Eosinophil Cationic Protein (ECP) upon eosinophil activation has still not been evaluated with respect to BP development. MBP, EDN and ECP were measured by ELISA in serum (n = 61) and blister fluid (n = 20) of patients with BP at baseline, and in serum after 2 months of treatment (n = 41)...
July 6, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28680325/in-vitro-effects-of-different-8-methoxypsoralen-treatment-protocols-for-extracorporeal-photopheresis-on-mononuclear-cells
#14
Holger Budde, Ulrike Berntsch, Joachim Riggert, Tobias J Legler
Extracorporeal photopheresis (ECP) is an important second-line therapy for graft-versus-host disease. A central therapeutic mechanism is the induction of immune tolerance through apoptosis in patient's leukocytes, caused by ex vivo incubation with 8-methoxypsoralen (8-MOP) and subsequent UVA irradiation. We hypothesized that different 8-MOP incubation times and an additional 8-MOP removal step could influence the apoptosis kinetics of leukocytes in general and in particular could lead to different apoptotic levels in the leukocyte subpopulations...
2017: Central-European Journal of Immunology
https://www.readbyqxmd.com/read/28662986/therapy-options-for-chronic-lung-allograft-dysfunction-bronchiolitis-obliterans-syndrome-following-first-line-immunosuppressive-strategies-a-systematic-review
#15
Christian Benden, Maria Haughton, Saoirse Leonard, Lars C Huber
BACKGROUND: Long-term success of lung transplantation is limited by the development of chronic lung allograft dysfunction (CLAD), of which bronchiolitis obliterans syndrome (BOS) is the most common form. This systematic review sought to identify the current evidence base for CLAD-BOS therapies after initial immunosuppressive treatment strategies. METHODS: The MEDLINE, Embase, and Cochrane Library databases from inception to May 3, 2016, were searched using keywords relating to CLAD-BOS, study designs, and treatments of interest, including extracorporeal photopheresis (ECP), aerosolized cyclosporine, total lymphoid irradiation (TLI), alemtuzumab, and montelukast...
May 29, 2017: Journal of Heart and Lung Transplantation
https://www.readbyqxmd.com/read/28655179/to-err-is-perfectly-human-behavioural-and-neural-correlates-of-error-processing-and-perfectionism
#16
Antonia Barke, Stefan Bode, Peter Dechent, Carsten Schmidt-Samoa, Christina Van Heer, Jutta Stahl
The attitude towards one's own imperfection strongly varies between individuals. Here, we investigated variations in error-related activity depending on two sub-traits of perfectionism, Personal Standard Perfectionism (PSP) and Evaluative Concern Perfectionism (ECP) in a large scale functional magnetic resonance imaging study (N = 75) using a digit-flanker task. Participants with higher PSP scores showed both more post-error slowing and more neural activity in the medial-frontal gyrus including anterior cingulate cortex after errors...
June 26, 2017: Social Cognitive and Affective Neuroscience
https://www.readbyqxmd.com/read/28653398/lung-transplant-recipients-on-long-term-extracorporeal-photopheresis
#17
Bruno Isenring, Cécile Robinson, Urs Buergi, Macé M Schuurmans, Malcolm Kohler, Lars C Huber, Christian Benden
Extracorporeal photophoresis (ECP) is an increasingly used therapy to address chronic lung allograft dysfunction (CLAD) following lung transplantation. In 2008, we reported the first single-center experience showing that ECP not only reduces lung function decline in patients with bronchiolitis obliterans syndrome (BOS) but results in stabilization of patients with recurrent acute cellular rejection (ACR). In the current study, the original cohort was followed up further 5 years. In addition, patients with CLAD were retrospectively classified according to recently published phenotypes...
June 27, 2017: Clinical Transplantation
https://www.readbyqxmd.com/read/28639423/emergency-contraceptive-pill-users-risk-perceptions-for-sexually-transmitted-infections-and-future-unintended-pregnancy
#18
Mary T Hickey, Michele G Shedlin
BACKGROUND AND PURPOSE: The availability of emergency contraception pills (ECP) over the counter (OTC) has the potential to reduce the incidence of unintended pregnancy; however, the increased risk for sexually transmitted infection (STI) acquisition, related to unprotected intercourse, has not been adequately addressed. The purpose of this study is to gain insight into risk perceptions for STIs and subsequent unintended pregnancy in women who have purchased ECP OTC. METHODS: Twenty-one women, aged 18-24, attending a private university in an urban setting, who purchased and used ECP OTC participated in 1-h, individual interviews...
June 22, 2017: Journal of the American Association of Nurse Practitioners
https://www.readbyqxmd.com/read/28636358/transferable-atom-centered-potentials-for-the-correction-of-basis-set-incompleteness-errors-in-density-functional-theory
#19
A Otero-de-la-Roza, Gino A DiLabio
Recent progress in the accurate calculation of noncovalent interactions has enabled density-functional theory (DFT) to model systems relevant in biological and supramolecular chemistry. The application of DFT methods using atom-centered Gaussian basis sets to large systems is limited by the number of basis functions required to accurately model thermochemistry and, in particular, weak intermolecular interactions. Basis set incompleteness error (BSIE) arising from the use of incomplete basis sets leads to erroneous intermolecular energies, bond dissociation energies, and structures...
July 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28624905/reduced-intensity-allogeneic-hematopoietic-stem-cell-transplantation-combined-with-imatinib-has-comparable-event-free-survival-and-overall-survival-to-long-term-imatinib-treatment-in-young-patients-with-chronic-myeloid-leukemia
#20
COMPARATIVE STUDY
Yanmin Zhao, Jiasheng Wang, Yi Luo, Jimin Shi, Weiyan Zheng, Yamin Tan, Zhen Cai, He Huang
The relative merits of reduced intensity hematopoietic stem cell transplantation (RIST) for chronic myeloid leukemia (CML) in the first chronic phase (CP) in imatinib era have not been evaluated. The study was designed to compare the outcomes of combination therapy of RIST plus imatinib (RIST + IM) vs. imatinib (IM) alone for young patients with early CP (ECP) and late CP (LCP). Of the patients, 130 were non-randomly assigned to treatment with IM alone (n = 88) or RIST + IM (n = 42). The 10-year overall survival (OS) and event-free survival (EFS) were comparable between RIST + IM and IM groups...
August 2017: Annals of Hematology
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