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Drug OR Interaction

A-Reum Kim, Jee Young Sung, Seung Bae Rho, Yong-Nyun Kim, Kyungsil Yoon
Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) methylates the lysine 9 residue of histone H3 and induces heterochromatin formation, resulting in transcriptional repression or silencing of target genes. SUV39H1 and SUV39H2 have a role in embryonic development, and SUV39H1 was shown to suppress cell cycle progression associated with Rb. However, the function of human SUV39H2 has not been extensively studied. We observed that forced expression of SUV39H2 decreased cell proliferation by inducing G₁ cell cycle arrest...
February 15, 2019: Biomolecules & Therapeutics
Zimo Yin, Haixin Ai, Li Zhang, Guofei Ren, Yuming Wang, Qi Zhao, Hongsheng Liu
The prediction of compound cytotoxicity is an important part of the drug discovery process. However, it usually appears as poor predictive performance because the datasets are high-throughput and have a class-imbalance problem. In this study, several strategies of performing a structure-activity relationship study for a cytotoxic endpoint in the AID364 dataset were explored to solve the class-imbalance problem. Random forest adaboost was used as the base learners for 10 types of molecular fingerprints and an ensemble method and six data-balancing methods were applied to balance the classes...
February 14, 2019: Journal of Applied Toxicology: JAT
Carolin Winkelmann, Thomas Neumann, Jan Zeidler, Anne Prenzler, Bodo Vogt, Frank K Wacker
BACKGROUND:  Health technology assessments (HTAs) are an interdisciplinary method to support sustainable, evidence-based healthcare decisions. They systematically assess medical products, procedures, and technologies with respect to medical, economic, legal, social, and ethical aspects. METHOD:  This review analyzes the current use of HTAs in radiology in Germany and discusses challenges associated with HTAs. In particular, incentive structures of various players in the healthcare field involved in HTA implementation are considered for both the inpatient and outpatient sectors...
February 14, 2019: RöFo: Fortschritte Auf Dem Gebiete der Röntgenstrahlen und der Nuklearmedizin
Benedikt Scharf, Dinh Van Tuan, Igor Zutic, Hanan Dery
Monolayer transition-metal dichalcogenides (ML-TMDs) offer exciting opportunities to test the manifestations of many-body interactions through changes in the charge density. Tuning the charge density by a gate voltage leads to profound changes in the optical spectra of excitons in ML-TMDs. We review the band-gap renormalization and dynamical screening as a function of charge density, and then incorporate these effects through various approximations that model long-wavelength charge excitations in the Bethe-Salpeter Equation (BSE)...
February 14, 2019: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Nguyen Tien Son, Pontus Stenberg, Valdas Jokubavicius, Takeshi Ohshima, Jawad Ul Hassan, Ivan Gueorguiev Ivanov
The negative silicon vacancy (V_Si^-) in SiC has recently emerged as a promising defect for quantum bits and room-temperature quantum sensing. However, its electronic structure is still not well characterized. While the isolated Si vacancy is expected to give rise to only two paramagnetic centers corresponding to two inequivalent lattice sites in 4H-SiC, there have been five electron paramagnetic resonance (EPR) centers assigned to V_Si^- in the past: the so-called isolated no-zero-field splitting (ZFS) V_Si^- center and another four axial configurations with small ZFS: TV1a, TV2a, TV1b, and TV2b...
February 14, 2019: Journal of Physics. Condensed Matter: An Institute of Physics Journal
R Selva Kumar, S K Ashok Kumar, Kari Vijayakrishna, Akell Sivaramakrishna, C V S Brahmnanda Rao, N Sivaraman, Suban K Sahoo
A simple phosphoryl quinolone (L) based sensor has been synthesized for the selective recognition of Lu3+ by spectrofluorimetric method. In methanol-water (1:1, v/v), the ligand L exhibits a weak emission peak at 400 nm upon excitation at 280 nm. Upon interaction with various f-metal and other selected metals from s, p, and d-block elements, the fluorescence of L is selectively enhanced in the presence of Lu3+ due to the chelation enhanced fluorescence (CHEF) effects. The quantum yield (φ) of L (φ = 0...
February 5, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Małgorzata Dawidowska, Roman Jaksik, Monika Drobna, Bronisława Szarzyńska-Zawadzka, Maria Kosmalska, Łukasz Sędek, Ludomiła Machowska, Anna Lalik, Monika Lejman, Marek Ussowicz, Krzysztof Kałwak, Jerzy R Kowalczyk, Tomasz Szczepański, Michał Witt
T-cell acute lymphoblastic leukemia (T-ALL) is an aggressive malignancy originating from T-cell precursors. The genetic landscape of T-ALL has been largely characterized by next-generation sequencing. Yet, the transcriptome of miRNAs (miRNome) of T-ALL has been less extensively studied. Using small RNA sequencing, we characterized the miRNome of 34 pediatric T-ALL samples, including the expression of isomiRs and the identification of candidate novel miRNAs (not previously annotated in miRBase). For the first time, we show that immunophenotypic subtypes of T-ALL present different miRNA expression profiles...
February 11, 2019: Neoplasia: An International Journal for Oncology Research
Clara Rodriguez-Sabate, Ingrid Morales, Jesus N Lorenzo, Manuel Rodriguez
The motor symptoms in Parkinson's disease (PD) have been linked to changes in the excitatory/inhibitory interactions of centers involved in the cortical-subcortical closed-loop circuits which connect basal ganglia (BG) and the brain cortex. This approach may explain some motor symptoms of PD but not others, which has driven the study of BG from new perspectives. Besides their cortical-subcortical linear circuits, BG have a number of subcortical circuits which directly or indirectly connect each BG with all the others...
February 3, 2019: NeuroImage: Clinical
Kuan-Ju Chen, Hsin-Ling Chen, Chen-Chi Tang, Hsu-Heng Wu, Jeng-Shiung Jan
Biomimetic synthesis of silica/polymer hybrid nanomaterials inspired by silica-condensing microorganisms has gained significant advances in recent years and the as-prepared hybrid materials have been explored for a variety of applications. In this work, silica/polypeptide hybrid nanoparticles (NPs) and coating films can be facilely fabricated by silica mineralization of poly(l-lysine)-block-poly(l-threonine)/poly(l-glutamic acid) (PLL-b-PLT/PGA) fibril complexes assembled in solutions or on substrates at benign conditions...
February 6, 2019: Journal of Colloid and Interface Science
Noor Atatreh, Amal M Youssef, Mohammad A Ghattas, Mohammad Al Sorkhy, Sara Alrawashdeh, Khaled B Al-Harbi, Ibrahim M El-Ashmawy, Tariq I Almundarij, Amani A Abdelghani, Alaa S Abd-El-Aziz
In this study, the acid chlorides of pyrazolo[3,4-d]pyrimidine compounds were prepared and reacted with a number of nucleophiles. The novel compounds were experimentally tested via enzyme assay and they showed cyclooxygenase-2 inhibition activity in the middle micro molar range (4b had a COX-1 IC50 of 26 µM and a COX-2 IC50 of 34 µM, 3b had a COX-1 IC50 of 19 µM and a COX-2 IC50 of 31 µM, 3a had a COX-2 IC50 of 42 µM). These compounds were analyzed via docking and were predicted to interact with some of the COX-2 key residues...
February 5, 2019: Bioorganic Chemistry
Zeyun Li, Songfeng Zhao, Yongliang Yuan, Lizhen Zhang, Zhizhen Song, Xin Tian, Xiaojian Zhang
Motolimod (VTX-2337) is an agonist of toll-like receptor 8 (TLR8) with potential immune-stimulating and antineoplastic activities. The purpose of this study was to investigate the in vitro metabolic profiles of VTX-2337. The average in vitro T1/2 values were 6.93, 8.71, 7.39, 2.85, and 10.58 min in the liver microsomes of mouse, rat, dog, monkey and human respectively, suggesting that VTX-2337 suffered from extensive metabolism. The metabolites were further profiled and identified by using ultra-high performance liquid chromatography coupled with diode array detector and Q-Exactive-Orbitrap tandem mass spectrometer (UHPLC-DAD-Q-Exactive-Orbitrap-MS) operated in positive ion mode...
February 7, 2019: Journal of Pharmaceutical and Biomedical Analysis
Nina Sillner, Alesia Walker, Eva-Maria Harrieder, Philippe Schmitt-Kopplin, Michael Witting
The fecal metabolome is a complex mixture of endogenous, microbial metabolites, and food derived compounds. Hydrophilic interaction liquid chromatography (HILIC) enables the analysis of polar compounds, which is a valuable alternative to reversed-phase liquid chromatography in the field of metabolomics due to its ability to retain a greater portion of the polar metabolome. The objective of the study was to find the optimal chromatographic solution to perform non-targeted metabolomics of feces by means of HILIC ultra-high-pressure liquid chromatography mass spectrometry (UHPLC-Q-TOF-MS)...
February 4, 2019: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
Marie-Claire Danner, Anne Robertson, Volker Behrends, Julia Reiss
Worldwide, antibiotic usage exceeds 100,000 tons per year and there is increasing concern over the fate of these substances. Antibiotics are ubiquitous in the environment and significant concentrations have been detected in fresh waters. In this review, we highlight important aspects of antibiotic pollution in fresh waters: that concentrations of antibiotics in the environment are substantial, that micro-organisms are susceptible to this, that bacteria can evolve resistance in the environment, and that antibiotic pollution affects natural food webs while interacting with other stressors; which taken together poses a number of challenges for environmental scientists...
February 5, 2019: Science of the Total Environment
Lise Charuaud, Emilie Jardé, Anne Jaffrézic, Marine Liotaud, Quentin Goyat, Fabien Mercier, Barbara Le Bot
In intensive livestock areas, veterinary pharmaceutical residues (VPRs) can occur in water resources, but also in tap water because treatment processes are not designed to remove these contaminants. The main objective of this study is to assess the occurrence of VPRs in water resources and tap waters in Brittany. As several identical compounds are used in both veterinary and human medicine, a toolbox (stanols and pharmaceuticals) is used to help determine the origin of contamination in the case of mixed-use molecules...
January 24, 2019: Science of the Total Environment
Xiaojun Deng
Incorporating the structure and connectivity of the river network to seasonal variations and different land use patterns can help improve the understanding the complex relationship between water quality and environmental factors. The present study first employed the grey relational analysis (GRA) to examine any existing correlations between the water quality and the structure and connectivity of river networks in the Southern Jiangsu Plain in Eastern China. All grey relational degree results were greater than the distinguishing coefficient (ρ = 0...
February 4, 2019: Science of the Total Environment
Corinna Pietsch, Uwe G Liebert
BACKGROUND: Sapovirus is a common cause of self-limiting diarrhea. In immunocompromised individuals chronic infections occur, but are incompletely investigated. OBJECTIVES: To investigate viral evolution in immunocompromised hosts during chronic sapovirus infection. STUDY DESIGN: From January 2010 to September 2018 stool samples of 5333 in-patients were analyzed for the presence of sapovirus RNA by real-time RT-PCR. In follow-up samples of chronic diarrhea cases nucleic acid sequencing of sapovirus genomes was performed...
February 7, 2019: Journal of Clinical Virology: the Official Publication of the Pan American Society for Clinical Virology
Laura Petitta, Tahira M Probst, Valerio Ghezzi, Claudio Barbaranelli
The purpose of this study was to examine contagion of positive and negative emotions among employees as an antecedent of cognitive failures and subsequent workplace accidents. Using emotional contagion theory and the neural model of emotion and cognition, we tested the proposition that higher contagion of anger (i.e., a negative emotion accompanied by dysfunctional cognition) would be associated with greater cognitive failures, whereas higher contagion of joy (i.e., a positive emotion accompanied by pleasant information processing, attention and positive cognition) would be associated with fewer cognitive failures...
February 11, 2019: Accident; Analysis and Prevention
D Bharathi, R Hari Krishna, B Siddlingeshwar, Darshan Devang Divakar, Abdulaziz Abdullah Alkheraif
In spite copper oxide being one of the essential micronutrient, copper oxide in its nano size is found to be toxic in nature; this instigates for the detection of copper oxides in trace levels. In the present study, we demonstrate simple cost effective detection method for CuO/Cu2 O using carbon quantum dots (CQD) by fluorescence quenching technique. CuO/Cu2 O nanoparticles are synthesised by mere variation of fuel ratio by solution combustion technique. The resulting oxides are characterized by various analytical and spectroscopic techniques...
February 4, 2019: Journal of Hazardous Materials
Michelle Ninochka D'Souza, Naveen Kumar Chandappa Gowda, Vishal Tiwari, Rosana Ottakandathil Babu, Praveen Anand, Sudhriti Ghosh Dastidar, Randhir Singh, Owen G James, Bhuvaneish Selvaraj, Rakhi Pal, Arati Ramesh, Sumantra Chattarji, Siddharthan Chandran, Akash Gulyani, Dasaradhi Palakodeti, Ravi S Muddashetty
No abstract text is available yet for this article.
February 11, 2019: iScience
I T Mendes, A L M Ruela, F C Carvalho, J T J Freitas, R Bonfilio, G R Pereira
Donepezil is one of the main compounds used in the therapy of Alzheimer's disease. Oral administration of this drug presents many drawbacks, resulting in treatment non-adherence among patients. Thus, the development of transdermal formulations for donepezil delivery is important. The aim of this study was to prepare and to evaluate nanostructured lipid carrier-based gels (NLC gel) able to improve the skin delivery of donepezil free base (DPB). The components of nanostructured lipid carriers (NLCs) were selected after evaluating their enhancing effects using in vitro DPB skin delivery assays...
February 6, 2019: Colloids and Surfaces. B, Biointerfaces
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