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Fulvio Perrella, Umberto Raucci, Maria Gabriella Chiariello, Marco Chino, Ornella Maglio, Angela Lombardi, Nadia Rega
Fe(III)-Mimochrome VI (MC6) is a recently reported artificial heme-peptide conjugate system with a high peroxidase-like activity. By design, its structure features a five-coordinated Fe(III)-deuteroporphyrin active site, embedded in a compact α-helix-heme-α-helix "sandwich" motif. Up to now, no detailed MC6 structural characterization is available. In this work we propose a theoretical investigation based on molecular dynamics (MD) simulations and hybrid quantum mechanics/molecular mechanics (QM/MM) optimizations, aimed to shed light on several Fe(III)-MC6 structural features and to validate the de novo designed fold...
August 9, 2018: Biopolymers
A Núñez Reiz
The introduction of clinical information systems (CIS) in Intensive Care Units (ICUs) offers the possibility of storing a huge amount of machine-ready clinical data that can be used to improve patient outcomes and the allocation of resources, as well as suggest topics for randomized clinical trials. Clinicians, however, usually lack the necessary training for the analysis of large databases. In addition, there are issues referred to patient privacy and consent, and data quality. Multidisciplinary collaboration among clinicians, data engineers, machine-learning experts, statisticians, epidemiologists and other information scientists may overcome these problems...
August 1, 2018: Medicina Intensiva
Frédéric Aubriet, Thierry Ghislain, Jasmine Hertzog, Alexander Sonnette, Anthony Dufour, Guillain Mauviel, Vincent Carré
The pyrolysis of the lignocellulosic biomass is a promising process to produce biofuels or green chemicals. Specific analytical methods have to be developed in order to better understand the composition of biomass and of its pyrolysis products and therefore to optimize the design of pyrolysis processes. For this purpose, different biomasses (Douglas and Miscanthus) and one biochar were analyzed by laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI FT-ICR MS). This method allowed the biomass and biochar to be analyzed without any sample preparation and with a spatial resolution of about 100 μm...
July 30, 2018: Journal of the American Society for Mass Spectrometry
Isabella Massimi, Laura Alemanno, Maria L Guarino, Raffaella Guerriero, Luigi Frati, Luigi Biasucci, Fabio M Pulcinelli
Background: A mechanism involved in high on-aspirin treatment residual platelet reactivity is platelet multidrug resistance protein 4 (MRP4) overexpression. Aspirin enhances platelet MRP4 expression with a PPARα-dependent mechanism and reduces miR-21 expression that, in turn, downregulates PPARα expression. Objective: The aim of our study was to verify the relationship between miR-21 and MRP4-PPARα levels induced by aspirin treatment. Methods: We evaluated the changes in MRP4-PPARα, mRNA, MRP4 protein, and miR-21 expression induced by aspirin in: (i) in vitro-treated megakaryoblastic cell line (DAMI), (ii) primary megakaryocytes cultures and derived platelets, (iii) healthy volunteers' platelets treated with aspirin, and (iv) aspirinated patients (aspirin-treated patients) and in a control population (control)...
July 2018: Research and Practice in Thrombosis and Haemostasis
Benji Wang, Yuqiang Gong, Binyu Ying, Bihuan Cheng
Background: Several studies have suggested that serum ionized calcium (iCa) is associated with mortality in critical illness. However, evidence regarding the predictive significance of serum total calcium (tCa) in critical illness remains scarce. The aim of this study was to assess the association of tCa levels with mortality in critical illness. Methods: We employed the MIMIC-III v1.3 database. tCa was measured upon ICU admission and its relationship with mortality was determined using smooth curve fitting...
2018: BioMed Research International
Andrea Gualandi, Giacomo Rodeghiero, Emanuele Della Rocca, Francesco Bertoni, Marianna Marchini, Rossana Perciaccante, Thomas Paul Jansen, Paola Ceroni, Pier Giorgio Cozzi
Here we report the application of readily prepared and available coumarin dyes for photoredox catalysis, which are able to mimic powerful reductant [Ir(iii)] complexes. Coumarin derivatives 9 and 10 were employed as photoreductants in pinacol coupling and in other reactions, in the presence of Et3N as a sacrificial reducing agent. As the electronic, photophysical, and steric properties of coumarins could be varied, a wide applicability to several classes of photoredox reactions is predicted.
July 24, 2018: Chemical Communications: Chem Comm
Peng Lan, Kong-Han Pan, Shuo-Jia Wang, Qiu-Cheng Shi, Yun-Xian Yu, Ying Fu, Yan Chen, Yan Jiang, Xiao-Ting Hua, Jian-Cang Zhou, Yun-Song Yu
Iron is an essential nutrient for bacterial survival and thus higher iron levels may precipitate bacterial infections. We investigated the association between the serum iron level and prognosis in patients with sepsis by using the single-centre Medical Information Mart for Intensive Care III (MIMIC-III) database. Sepsis patients with iron parameters measured on ICU admission were included and stratified according to quartiles of serum iron levels. A total of 1,891 patients diagnosed with sepsis according to the Sepsis-3 criteria were included in this study, 324 of whom were septic shock...
July 23, 2018: Scientific Reports
Jessica M Gilbertie, Julie M Long, Alicia G Schubert, Alix K Berglund, Thomas P Schaer, Lauren V Schnabel
Platelet-rich plasma (PRP) preparations are being used with moderate success to treat osteoarthritis (OA) in humans and in veterinary species. Such preparations are hindered, however, by being autologous in nature and subject to tremendous patient and processing variability. For this reason, there has been increasing interest in the use of platelet lysate preparations instead of traditional PRP. Platelet lysate preparations are acellular, thereby reducing concerns over immunogenicity, and contain high concentrations of growth factors and cytokines...
2018: Frontiers in Veterinary Science
Zhi-De Hu, Yuan-Lan Huang, Mei-Ying Wang, Ge-Ji-Le Hu, Yan-Qiu Han
BACKGROUND: The accuracy of total calcium and its corrected value for predicting critically high and critically low ionized calcium in critical illness is controversial. The aim of this study was to investigate whether the concentration of total serum calcium, either corrected for albumin or not, could predict critically high or low values in critical illness. METHODS: This report describes a retrospective study using the Medical Information Mart for Intensive Care (MIMIC) III database...
July 16, 2018: Journal of Clinical Laboratory Analysis
Xiaopan Gao, Zhixia Mu, Xia Yu, Bo Qin, Justyna Wojdyla, Meitian Wang, Sheng Cui
Gram-negative bacteria utilize the type III secretion system (T3SS) to inject effector proteins into the host cell cytoplasm, where they subvert cellular functions and assist pathogen invasion. The conserved type III-associated ATPase is critical for the separation of chaperones from effector proteins, the unfolding of effector proteins and translocating them through the narrow channel of the secretion apparatus. However, how ATP hydrolysis is coupled to the mechanical work of the enzyme remains elusive. Herein, we present a complete description of nucleoside triphosphate binding by surface presentation antigens 47 (Spa47) from Shigella flexneri , based on crystal structures containing ATPγS, a catalytic magnesium ion and an ordered water molecule...
2018: Frontiers in Microbiology
Abiodun D Ogunniyi, Zlatko Kopecki, Elizabeth E Hickey, Manouchehr Khazandi, Emma Peel, Katherine Belov, Alexandra Boileau, Sanjay Garg, Henrietta Venter, Wei Yee Chan, Peter B Hill, Stephen W Page, Allison J Cowin, Darren J Trott
There are very few articles in the literature describing continuous models of bacterial infections that mimic disease pathogenesis in humans and animals without using separate cohorts of animals at each stage of disease. In this work, we developed bioluminescent mouse models of partial-thickness scald wound infection and sepsis that mimic disease pathogenesis in humans and animals using a recombinant luciferase-expressing Staphylococcus aureus strain (Xen29). Two days post-scald wound infection, mice were treated twice daily with a 2% topical mupirocin ointment for 7 days...
2018: PloS One
Yong Fan, Yuzhuo Zhao, Peiyao Li, Xiaoli Liu, Lijing Jia, Kaiyuan Li, Cong Feng, Fei Pan, Tanshi Li, Zhengbo Zhang, Desen Cao
OBJECTIVE: To study the distribution of diseases in Medical Information Mart for Intensive Care (MIMIC-III) database in order to provide reference for clinicians and engineers who use MIMIC-III database to solve clinical research problems. METHODS: The exploratory data analysis technologies were used to explore the distribution characteristics of diseases and emergencies of patients (excluding newborns) in MIMIC-III database were explored; then, neonatal gestational age, weight, length of hospital stay in intensive care unit (ICU) were analyzed with the same method...
June 2018: Zhonghua Wei Zhong Bing Ji Jiu Yi Xue
Anne Z Eriksen, Rasmus Eliasen, Julia Oswald, Paul J Kempen, Fredrik Melander, Thomas L Andresen, Michael Young, Petr Baranov, Andrew J Urquhart
A common event in optic neuropathies is the loss of axons and death of retinal ganglion cells (RGCs) resulting in irreversible blindness. Mammalian target of rapamycin (mTOR) signaling pathway agonists have been shown to foster axon regeneration and RGC survival in animal models of optic nerve damage. However, many challenges remain in developing therapies that exploit cell growth and tissue remodeling including (i) activating/inhibiting cell pathways synergistically, (ii) avoiding tumorigenesis, and (iii) ensuring appropriate physiological tissue function...
July 18, 2018: ACS Nano
Min Li, Zhihui Fei, Min Zeng, Fangxiang Wu, Yaohang Li, Yi Pan, Jianxin Wang
ICD-9 (the Ninth Revision of International Classification of Diseases) is widely used to describe a patient's diagnosis. Accurate automated ICD-9 coding is important because manual coding is expensive, time-consuming and inefficient. Inspired by the recent successes of deep learning, in this study, we present a deep learning framework called DeepLabeler to automatically assign ICD-9 codes. DeepLabeler combines the convolutional neural network with the 'Document to Vector' technique to extract and encode local and global features...
March 20, 2018: IEEE/ACM Transactions on Computational Biology and Bioinformatics
Alex Roehrs, Cristiano Andre da Costa, Rodrigo da Rosa Righi, Sandro Jose Rigo, Matheus Wichman
Health information technology, applied to electronic health record (EHR), has evolved with the adoption of standards for defining patient health records. However, there are many standards for defining such data, hindering communication between different healthcare providers. Even with adopted standards, patients often need to repeatedly provide their health information when they are taken care of at different locations. This problem hinders the adoption of personal health record (PHR), with the patients' health records under their own control...
May 14, 2018: IEEE Journal of Biomedical and Health Informatics
Yanfei Shen, Weizhe Ru, Xinmei Huang, Weimin Zhang
This study aimed to investigate the time-related association between cumulative fluid balance (FB) and mortality. Data were extracted from the Medical Information Mart for Intensive Care (MIMIC) III. FB data on 8584 patients at the first (FB-fir24hr) and second (FB-sec24hr) 24 hours after intensive care unit admission were analysed. Compared to the combination of FB-fir24hr ≤ 0 and FB-sec24 hr ≤ 0, the combination of FB-fir24hr > 0 and FB-sec24hr ≤ 0 had significantly higher FB, with an insignificant odds ratio (OR) for mortality...
July 10, 2018: Scientific Reports
Maria-Magdalena Georgescu, Adriana Olar, Bret C Mobley, Phyllis L Faust, Jack M Raisanen
Meningioma is a primary brain tumor arising from the neoplastic transformation of meningothelial cells. Several histological variants of meningioma have been described. Here we show that NHERF1/EBP50, an adaptor protein required for structuring specialized polarized epithelia, can distinguish meningioma variants with epithelial differentiation. NHERF1 decorates the membrane of intracytoplasmic lumens and microlumens in the secretory variant, consistent with a previously described epithelial differentiation of this subtype...
June 19, 2018: Oncotarget
P Betancourt, A Merlos, J M Sierra, O Camps-Font, J Arnabat-Dominguez, M Viñas
Bacteria living in biofilms exhibit altered growth phenotypes, while the biofilm provides benefits, the foremost of which is a certain protection against both immune system and killing effect by antimicrobials. Laser-activated irrigation (LAI) and passive ultrasonic irrigation (PUI) have been proposed as alternative methods for cleaning and disinfecting the root canal, as an adjuvant to conventional chemo-mechanical preparation in order to improve debridement and disinfection. Nevertheless, the potential antibacterial effect of LAI using 0...
July 6, 2018: Lasers in Medical Science
Paula Corrêa Silveira da Silva, Nelson Pereira Marques, Marcella Tassi Farina, Thais Marchini Oliveira, Cristiane Duque, Nádia Carolina Teixeira Marques, Vivien Thiemy Sakai
This study aimed to analyze the effects of laser irradiation on the membrane integrity and viability of stem cells from human exfoliated deciduous teeth (SHED) that were kept in serum starvation. Nutritional deficit was used to mimic the cellular stress conditions of SHED isolation for regenerative dental approaches, where laser therapy could be beneficial. SHED were cultured under serum starvation (MEMα + 1%FBS) for 1 or 24 h pre-irradiation (protocols A and B, respectively). Then, cells received low-level laser therapy (LLLT; 660 nm) at 2...
July 6, 2018: Lasers in Medical Science
Ammasai Karthikeyan, Matthias Zeller, Packianathan Thomas Muthiah
Three new metal(II)-cytosine (Cy)/5-fluorocytosine (5FC) complexes, namely bis(4-amino-1,2-dihydropyrimidin-2-one-κN3 )diiodidocadmium(II) or bis(cytosine)diiodidocadmium(II), [CdI2 (C4 H5 N3 O)2 ], (I), bis(4-amino-1,2-dihydropyrimidin-2-one-κN3 )bis(nitrato-κ2 O,O')cadmium(II) or bis(cytosine)bis(nitrato)cadmium(II), [Cd(NO3 )2 (C4 H5 N3 O)2 ], (II), and (6-amino-5-fluoro-1,2-dihydropyrimidin-2-one-κN3 )aquadibromidozinc(II)-6-amino-5-fluoro-1,2-dihydropyrimidin-2-one (1/1) or (6-amino-5-fluorocytosine)aquadibromidozinc(II)-4-amino-5-fluorocytosine (1/1), [ZnBr2 (C4 H5 FN3 O)(H2 O)]·C4 H5 FN3 O, (III), have been synthesized and characterized by single-crystal X-ray diffraction...
July 1, 2018: Acta Crystallographica. Section C, Structural Chemistry
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