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Piotr Klukowski, Michal Augoff, Maciej Zieba, Maciej Drwal, Adam Gonczarek, Michal J Walczak
Motivation: Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking would accelerate the structure calculation, and analysis of dynamics and interactions of macromolecules. Recent advancement in handling big data, together with an outburst of machine learning techniques, offer an opportunity to tackle the peak picking problem substantially faster than manual picking and on par with human accuracy...
March 14, 2018: Bioinformatics
Yue Guo, Renyi Wu, John M Gaspar, Davit Sargsyan, Zheng-Yuan Su, Chengyue Zhang, Linbo Gao, David Cheng, Wenji Li, Chao Wang, Ran Yin, Mingzhu Fang, Michael P Verzi, Ronald P Hart, Ah-Ng Kong
Inflammation is highly associated with colon carcinogenesis. Epigenetic mechanisms could play an important role in the initiation and progression of colon cancer. Curcumin, a dietary phytochemical, shows promising effects in suppressing colitis-associated colon cancer in AOM-DSS mice. However, the potential epigenetic mechanisms of curcumin in colon cancer remain unknown. In this study, the anti-cancer effect of curcumin in suppressing colon cancer in an 18-week AOM-DSS colon cancer mouse model was confirmed...
March 14, 2018: Carcinogenesis
Kazushi Yamamoto, Yui Iwagaki, Kouichi Watanabe, Tomonori Nochi, Hisashi Aso, Tsuyoshi Tsuduki
OBJECTIVES: We examined a moderate-fat (MF) diet that is enriched with fish oil (FO) and assessed whether lipid absorption was inhibited in senescence-accelerated prone mice (SAM-P8). METHODS: All mice (N = 70) were fed a normal diet that contained 4 g soybean oil/100 g of diet for 6 mo and then divided the mice into four groups (n = 10 or 20/group). Mice in the baseline group were euthanized at 6 mo old, those in the control group continued on a normal diet until 15 mo of age, those in the MF diet group switched to an MF diet (8 g soybean oil/100 g of diet) until 15 mo of age, and those in the MF + FO group switched to an MF diet that was enriched with FO (6...
December 2, 2017: Nutrition
Alberto Perez, Florian Sittel, Gerhard Stock, Ken A Dill
The molecular actions of proteins occur along reaction coordinates. Current computer methods have limited ability to explore them. We describe a fast protocol called MELD-path that: (1) efficiently samples relevant conformational states via MELD, an accelerator of Molecular Dynamics (MD), (2) seeds multiple short MD trajectories from MELD states, then (3) constructs Markov State Models (MSM) that give the routes and kinetics. We tested the method against extensive (multi μs) MD simulations of the right-handed- to left-handed-helix transition of a 9-mer peptide of AIB, the symmetry of which allows us to establish convergence...
March 16, 2018: Journal of Chemical Theory and Computation
Tatsuya Soeno, Tomoharu Mochizuki, Osamu Tanifuji, Hiroshi Koga, Takayuki Murayama, Hiroki Hijikata, Yuki Takahashi, Naoto Endo
INTRODUCTION: Instability after total knee arthroplasty is a critical problem. The purpose of this study was to clarify the stability of implanted knees during walking by comparing differences in dynamic instability during knee acceleration between individuals with or without previously experienced subjective instability, as measured by self-reported questionnaire. MATERIALS AND METHODS: We examined 92 knees with medial pivot implants. Mean patient age and follow-up duration were 78...
2018: PloS One
Poovizhi Ponnammal, Parijat Kanaujia, Yin Yani, Wai Kiong Ng, Reginald B H Tan
In order to improve the aqueous solubility and dissolution of Tacrolimus (TAC), amorphous solid dispersions of TAC were prepared by hot melt extrusion with three hydrophilic polymers, Polyvinylpyrrolidone vinyl acetate (PVP VA64), Soluplus® and Hydroxypropyl Cellulose (HPC), at a drug loading of 10% w / w . Molecular modeling was used to determine the miscibility of the drug with the carrier polymers by calculating the Hansen Solubility Parameters. Powder X-ray diffraction and differential scanning calorimetry (DSC) studies of powdered solid dispersions revealed the conversion of crystalline TAC to amorphous form...
March 16, 2018: Pharmaceutics
Enrico Gugliandolo, Roberta Fusco, Giovanna Ginestra, Ramona D'amico, Carlo Bisignano, Giuseppina Mandalari, Salvatore Cuzzocrea, Rosanna Di Paola
BACKGROUND: Colonization with Pseudomonas aeruginosa (PA), the most common pathogen isolated mainly in patients with cystic fibrosis, is particularly difficult to eradicate and is associated with acceleration of decline in lung function and with poorer prognosis. PA LPS is recognized by toll like receptors 4 (TLR4) and has been shown to induce lung inflammation in vivo. In addition, regulation of this process is essential for proper pathogen clearance and to prevent excessive inflammatory response resulting in tissue damage...
March 15, 2018: Shock
Siti Azdiah Abdul Aziz, Megan Mcstea, Nor Syuhada Ahmad Bashah, Meng Li Chong, Sasheela Ponnampalavanar, Sharifah Faridah Syed Omar, Helmi Sulaiman, Iskandar Azwa, Maw Pin Tan, Adeeba Kamarulzaman, Reena Rajasuriar, Shahrul Bahyah Kamaruzzaman
OBJECTIVES: In a clinic-based, treated HIV-infected cohort, we identified individuals with sarcopenia and compared with age, sex and ethnically matched controls; and investigated associated risk factors and health outcomes. DESIGN: Sarcopenia (age-related muscle loss) causes significant morbidity to the elderly, leading to frequent hospitalizations, disability and death. Few have characterized sarcopenia in the HIV-infected who experience accelerated aging. METHODS: Sarcopenia was defined as low muscle mass with weak grip strength and/or slow gait speed using lower 20th percentiles of controls...
March 15, 2018: AIDS
Eugène Zoumenou, Martin Chobli, Bernard le Polain de Waroux, Philippe Louis Baele
Belgium has been collaborating for 20 years with Abomey-Calavi University in Cotonou, Republic of Benin, to train anesthesiologists for Sub-Saharan, French-speaking African countries. With 123 graduates from 15 countries and 46 residents still in training, this program has succeeded in reversing the trend of a decreasing anesthesiology workforce in those countries, thus improving the quality of anesthesia and patient safety. Belgian government sources, as well as hospitals and anesthesia teams, provided most of the financial resources...
April 2018: Anesthesia and Analgesia
Bastian Ramms, Philip L S M Gordts
PURPOSE OF REVIEW: Apolipoprotein (apo) C-III is a key player in triglyceride-rich lipoprotein metabolism and strongly associated with elevated plasma triglyceride levels. Several new studies added important insights on apoC-III and its physiological function confirming its promise as a valid therapeutic target. RECENT FINDINGS: APOC3 is expressed in liver and intestine and regulates triglyceride-rich lipoprotein (TRL) catabolism and anabolism. The transcriptional regulation in both organs requires different regulatory elements...
March 15, 2018: Current Opinion in Lipidology
Jimena López-Arrabé, Pat Monaghan, Alejandro Cantarero, Winnie Boner, Lorenzo Pérez-Rodríguez, Juan Moreno
Oxidative stress can contribute to an acceleration of telomere erosion, leading to cellular senescence and aging. Increased investment in reproduction is known to accelerate senescence, generally resulting in reduced future reproductive potential and survival. To better understand the role played by oxidative status and telomere dynamics in the conflict between maintenance and reproduction, it is important to determine how these factors are related in parents and their offspring. We investigated the relationship between oxidative status and telomere measurements in pied flycatchers (Ficedula hypoleuca)...
May 2018: Physiological and Biochemical Zoology: PBZ
E Curry, S Fabbri, J Maxson, P Musumeci, A Gover
Terahertz (THz) radiation promises breakthrough advances in compact advanced accelerators due to the gigavolts-per-meter fields achievable, but the challenge of maintaining overlap and synchronism between beams and short laser-generated THz pulses has so far limited interactions to the few-millimeter scale. We implement a novel scheme for simultaneous group and phase velocity matching of nearly single-cycle THz radiation with a relativistic electron beam for meter-scale inverse free-electron laser interaction in a magnetic undulator, resulting in energy modulations of up to 150 keV using modest THz pulse energies (≤1  μJ)...
March 2, 2018: Physical Review Letters
Bartłomiej Czech, Lampros Lamprou, Samuel McCandlish, James Sully
The Berry connection describes transformations induced by adiabatically varying Hamiltonians. We study how zero modes of the modular Hamiltonian are affected by varying the region that supplies the modular Hamiltonian. In the vacuum of a 2D conformal field theory, global conformal symmetry singles out a unique modular Berry connection, which we compute directly and in the dual three-dimensional anti-de Sitter (AdS_{3}) picture. In certain cases, Wilson loops of the modular Berry connection compute lengths of curves in AdS_{3}, reproducing the differential entropy formula...
March 2, 2018: Physical Review Letters
Nick Zwart, Shan Li Nio, Corine J Houtman, Jacob De Boer, Jeroen Kool, Timo Hamers, Marja H Lamoree
Effect-Directed Analysis (EDA) is a commonly used approach for effect-based identification of endocrine disruptive chemicals in complex (environmental) mixtures. For routine toxicity assessment of e.g. water samples however, current EDA approaches are considered time consuming and laborious. We achieved faster EDA and identification, by downscaling of sensitive cell-based hormone reporter gene assays and increasing fractionation resolution to allow testing of smaller fractions with reduced complexity. The high-resolution EDA approach is demonstrated by analysis of four environmental passive sampler extracts...
March 16, 2018: Environmental Science & Technology
Babloo Sharma, Susanne Striegler
In an effort to develop biomimetic glycosyl transfer catalysts, a polymerization protocol was developed that is applicable to the synthesis of crosslinked microgels via UV-initiated free radical polymerization of miniemulsions at ambient temperature and below. The catalytic activity of the microgels derived from butyl acrylate, EGDMA and a catalyst-precursor ligand was established using the hydrolysis of 4-methylumbelliferyl -D-galactopyranoside as a model reaction. The microgel-catalyzed hydrolysis was up to 3 × 105-fold accelerated over the background reaction and notably 38-fold faster than the hydrolysis catalyzed by its low molecular weight analog...
March 16, 2018: Biomacromolecules
Harmanpreet Singh, Chateshwar Kumar, Narpinder Singh, Surinder Paul, Subheet Kumar Jain
Docosahexaenoic acid (DHA) is a vital structural component of neuronal tissue, which is critically required during pre- and post-natal brain development. Its liquid nature, fishy odor, poor bioavailability and oxidative stability are the major challenges in the development of a pharmaceutically elegant and stable formulation. In the present study, nanocapsules of DHA from microalgae oil were prepared using different combinations of wall materials (carbohydrates, polymers, gum and proteins). The encapsulation using spray drying was done to prepare a pharmaceutically stable DHA formulation...
March 16, 2018: Food & Function
Maciej Lesiak, Sylwia Zawada-Iwańczyk, Magdalena Łanocha, Aneta Klotzka, Michał Lesiak
Bioresorbable scaffolds (BRS) have been introduced to clinical practice to avoid some limitations associated with the presence of permanent metal prostheses in coronary arteries. Due to elimination of the natural vasomotion of the vessel and flow disturbance, stents impair endothelial function, increasing the risk of adverse events such as late and very late thrombosis or accelerated neoatherosclerosis. Additionally, the presence of metallic stents hinders non-invasive imaging of coronaries and may exclude the possibility of bypass graft anastomosis within the stented segment...
March 15, 2018: Minerva Cardioangiologica
Susana R Cerqueira, Yee-Shuan Lee, Mary Bartlett Bunge
In vitro models using Schwann cell and astrocyte co-cultures have been used to understand the mechanisms underlying the formation of boundaries between these cells in vivo. Schwann cell/astrocyte co-cultures also mimic the in vivo scenario of a transplant in a spinal cord injury site, thereby allowing testing of therapeutic approaches. In this chapter, we describe a triple cell culture system with Schwann cells, astrocytes, and neurons that replicates axon growth from a Schwann cell graft into an astrocyte-rich region...
2018: Methods in Molecular Biology
R Cameron Coates, Benjamin P Bowen, Ernst Oberortner, Linda Thomashow, Michalis Hadjithomas, Zhiying Zhao, Jing Ke, Leslie Silva, Katherine Louie, Gaoyan Wang, David Robinson, Angela Tarver, Matthew Hamilton, Andrea Lubbe, Meghan Feltcher, Jeffery L Dangl, Amrita Pati, David Weller, Trent R Northen, Jan-Fang Cheng, Nigel J Mouncey, Samuel Deutsch, Yasuo Yoshikuni
Increasing availability of new genomes and putative biosynthetic gene clusters (BGCs) has extended the opportunity to access novel chemical diversity for agriculture, medicine, environmental and industrial purposes. However, functional characterization of BGCs through heterologous expression is limited because expression may require complex regulatory mechanisms, specific folding or activation. We developed an integrated workflow for BGC characterization that integrates pathway identification, modular design, DNA synthesis, assembly and characterization...
March 15, 2018: Journal of Industrial Microbiology & Biotechnology
Kazuhisa Matsui, Takashi Tachibana, Katsuya Nobuhara, Yasushi Uchiyama
BACKGROUND: The glenohumeral joint is subjected to opposing forces when the direction of shoulder motion is changed, accelerating and decelerating to make the movements. The influence of motion velocity or acceleration on translation of the humeral head has not been evaluated although direction and distance of humeral head translation has been analyzed in real time in normal shoulders. We hypothesized that, in a normal shoulder, the humeral head does not deviate significantly or suddenly during active shoulder rotation regardless of motion velocity...
March 15, 2018: Journal of Experimental Orthopaedics
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