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https://www.readbyqxmd.com/read/28735497/conceptual-dft-analysis-of-the-regioselectivity-of-1-3-dipolar-cycloadditions-nitrones-as-a-case-of-study
#1
Ramón Alain Miranda-Quintana, Marco Martínez González, David Hernández-Castillo, Luis A Montero-Cabrera, Paul W Ayers, Christophe Morell
The regioselectivity of the 1,3-dipolar cycloaddition of a model nitrone with a set of dipolarophiles, presenting diverse electronic effects, is analyzed using conceptual density functional theory (DFT) methods. We deviate from standard approaches based on frontier molecular orbitals and formulations of the local hard/soft acid/base principle and use instead the dual descriptor. A detailed analysis is carried out to determine the influence of the way to calculate the dual descriptor, the computational procedure, basis set and choice of method to condensate the values of this descriptor...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28735386/the-performance-and-microbial-communities-of-biodegradation-electron-transfer-with-sulfur-metabolism-integrated-process-for-flue-gas-desulfurization-wastewater-treatment
#2
Chao Wei, Wenjie He, Li Wei, Jun Ma, Chunying Li
The biodegradation-electron transfer with sulfur metabolism integrated (BESI(®)) process was used for the treatment of real flue gas desulfurization wastewater. The BESI(®) process consists of an anaerobic activated sludge reactor, an anoxic activated sludge reactor, and an aerobic bio-film reactor. The performance of the integrated process was evaluated by the removal efficiencies of organics and nitrogen pollutants. The sulfate in the wastewater was used as an abundant sulfur source to drive the integrated process...
July 22, 2017: Bioprocess and Biosystems Engineering
https://www.readbyqxmd.com/read/28735352/long-noncoding-rna-expression-profiles-in-chondrogenic-and-hypertrophic-differentiation-of-mouse-mesenchymal-stem-cells
#3
Zhen Cao, Song Huang, Jianmei Li, Yun Bai, Ce Dou, Chuan Liu, Fei Kang, Xiaoshan Gong, Haibin Ding, Tianyong Hou, Shiwu Dong
Long noncoding RNAs (lncRNAs) are important regulators for a variety of biological processes. Chondrogenic differentiation of mesenchymal stem cells (MSCs) is a crucial stage in chondrogenesis while chondrocyte hypertrophy is related to endochondral ossification and osteoarthritis. However, the effects of lncRNAs on chondrogenic and hypertrophic differentiation of mouse MSCs are unclear. To explore the potential mechanisms of lncRNAs during chondrogenesis and chondrocyte hypertrophy, microarray was performed to investigate the expression profiles of lncRNA and mRNA in MSCs, pre-chondrocytes, and hypertrophic chondrocytes...
July 22, 2017: Functional & Integrative Genomics
https://www.readbyqxmd.com/read/28735351/multiple-correlation-analyses-revealed-complex-relationship-between-dna-methylation-and-mrna-expression-in-human-peripheral-blood-mononuclear-cells
#4
Fang-Fei Xie, Fei-Yan Deng, Long-Fei Wu, Xing-Bo Mo, Hong Zhu, Jian Wu, Yu-Fan Guo, Ke-Qin Zeng, Ming-Jun Wang, Xiao-Wei Zhu, Wei Xia, Lan Wang, Pei He, Peng-Fei Bing, Xin Lu, Yong-Hong Zhang, Shu-Feng Lei
DNA methylation is an important regulator on the mRNA expression. However, a genome-wide correlation pattern between DNA methylation and mRNA expression in human peripheral blood mononuclear cells (PBMCs) is largely unknown. The comprehensive relationship between mRNA and DNA methylation was explored by using four types of correlation analyses and a genome-wide methylation-mRNA expression quantitative trait locus (eQTL) analysis in PBMCs in 46 unrelated female subjects. An enrichment analysis was performed to detect biological function for the detected genes...
July 22, 2017: Functional & Integrative Genomics
https://www.readbyqxmd.com/read/28735348/analysis-of-the-cd8-t-cell-anti-hiv-activity-in-heterologous-cell-co-cultures-reveals-the-benefit-of-multiple-hla-class-i-matches
#5
M Scott Killian, Fernando Teque, Ramu Sudhagoni
CD8(+) T lymphocytes can reduce the production of human immunodeficiency virus 1 (HIV-1) by CD4(+) T cells by cytotoxic and non-cytotoxic mechanisms. To investigate the involvement of human leukocyte antigen (HLA) class I compatibility in anti-HIV responses, we co-cultured primary CD8(+) T cells, isolated from the peripheral blood of HIV-1-infected individuals, with panels of autologous and heterologous acutely HIV-1-infected primary CD4(+) T cells. Altogether, CD8(+) T cell anti-HIV activity was evaluated in more than 200 co-cultures...
July 22, 2017: Immunogenetics
https://www.readbyqxmd.com/read/28735299/identification-of-the-first-dominant-mutation-of-lama5-gene-causing-a-complex-multisystem-syndrome-due-to-dysfunction-of-the-extracellular-matrix
#6
Simone Sampaolo, Filomena Napolitano, Alfonsina Tirozzi, Mafalda Giovanna Reccia, Luca Lombardi, Olimpia Farina, Adriano Barra, Ferdinando Cirillo, Mariarosa Anna Beatrice Melone, Fernando Gianfrancesco, Giuseppe Di Iorio, Teresa Esposito
BACKGROUND: The laminin alpha 5 gene (LAMA5) plays a master role in the maintenance and function of the extracellular matrix (ECM) in mammalian tissues, which is critical in developmental patterning, stem cell niches, cancer and genetic diseases. Its mutations have never been reported in human disease so far. The aim of this study was to associate the first mutation in LAMA5 gene to a novel multisystem syndrome. METHODS: A detailed characterisation of a three-generation family, including clinical, biochemical, instrumental and morphological analysis, together with genetics and expression (WES and RNAseq) studies, was performed...
July 22, 2017: Journal of Medical Genetics
https://www.readbyqxmd.com/read/28735242/transcriptomic-analysis-of-the-larva-taenia-multiceps
#7
W H Li, N Z Zhang, L Yue, Y Yang, L Li, H B Yan, T T Li, Z G Qu, W Z Jia, B Q Fu
Taenia multiceps is an adult worm affiliated to Taeniidae family, Platyhelminthes phylum. The larvae of the parasite (Coenurus cerebralis) parasitic in the brain and spinal cord in domestic and wild ruminants or humans can led to a fatal central nervous system (CNS) disease. The aims of the present study were to define the transcriptome profiles of the larvae of T. multiceps by RNA-Seq approach, and to generate large functional gene datasets that could be used to predict the key molecular pathways linked to this cestode...
July 12, 2017: Research in Veterinary Science
https://www.readbyqxmd.com/read/28735170/effects-of-different-solvents-on-the-conformations-of-apoptotic-cytochrome-c-structural-insights-from-molecular-dynamics-simulation
#8
Gurusamy Muneeswaran, Subramanian Kartheeswaran, Kaliappan Muthukumar, Christopher D Dharmaraj, Chandran Karunakaran
Cytochrome c (cyt-c) upon binding with cardiolipin acquires peroxidase activity and is strictly connected to the pathogenesis of many human diseases including neurodegenerative and cardiovascular diseases. Interaction of cyt-c with cardiolipin mimics partial unfolding/conformational changes of cyt-c in different solvent environments. Dynamic pictures of these conformational changes of cyt-c are crucial in understanding their physiological roles in mitochondrial functions. Therefore, atomistic molecular dynamics (MD) simulations have been carried out to investigate the effect of different solvents (water, urea/water, MeOH and DMSO) on the structure and conformations of apoptotic cyt-c (Fe(3+))...
July 14, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28735169/aberrant-link-between-empathy-and-social-attribution-style-in-borderline-personality-disorder
#9
Philipp Homan, Marianne C Reddan, Tobias Brosch, Harold W Koenigsberg, Daniela Schiller
In social interactions, we often need to quickly infer why other people do what they do. More often than not, we infer that behavior is a result of personality rather than circumstances. It is unclear how the tendency itself may contribute to psychopathology and interpersonal dysfunction. Borderline personality disorder (BPD) is characterized by severe interpersonal dysfunction. Here, we investigated if this dysfunction is related to the tendency to over-attribute behaviors to personality traits. Healthy controls and patients with BPD judged positive and negative behaviors presented within a situational constraint during functional magnetic resonance imaging...
July 14, 2017: Journal of Psychiatric Research
https://www.readbyqxmd.com/read/28735123/surgery-for-cerebellar-hemorrhage-a-nsqip-database-analysis-of-patient-outcomes-and-factors-associated-with-30-day-mortality-and-prolonged-ventilation
#10
Gregory D Arnone, Darian R Esfahani, Matt Wonais, Prateek Kumar, Justin K Scheer, Ali Alaraj, Sepideh Amin-Hanjani, Fady T Charbel, Ankit I Mehta
OBJECTIVE: Primary cerebellar hemorrhage accounts for 10% of all intracranial hemorrhages. Given the confined space of the posterior fossa, cerebellar hemorrhage management sometimes necessitates suboccipital decompression and hematoma evacuation. In this study, we examine outcomes following surgery for primary cerebellar hemorrhage, and identify risk factors associated with adverse outcomes. METHODS: A retrospective review of the 2005-2014 ACS-NSQIP database was performed, with CPT Code 61315 (suboccipital craniectomy or craniotomy for evacuation of cerebellar hemorrhage) queried between 2005 and 2014...
July 19, 2017: World Neurosurgery
https://www.readbyqxmd.com/read/28735121/survival-patterns-of-5750-srs-treated-brain-metastasis-patients-as-a-function-of-the-number-of-lesions
#11
Mir Amaan Ali, Brian R Hirshman, Bayard Wilson, Kate T Carroll, James A Proudfoot, Steven J Goetsch, John F Alksne, Kenneth Ott, Hitoshi Aiyama, Osamu Nagano, Bob S Carter, Gerald Fogarty, Angela Hong, Toru Serizawa, Masaaki Yamamoto, Clark C Chen
BACKGROUND: The number of brain metastases (BM) plays an important role in the decision between stereotactic radiosurgery (SRS) and whole brain radiation therapy (WBRT). METHODS: We analyzed the survival of 5750 SRS-treated BM patients as a function of BM number. Survival analyses were performed using Kaplan-Meier analysis as well as univariate and multivariate Cox proportional hazards models. RESULTS: BM patients were first categorized as those with 1, 2-4, and 5-10 BM based on the scheme proposed by Yamamoto et al (Lancet Oncology 2014)...
July 19, 2017: World Neurosurgery
https://www.readbyqxmd.com/read/28735111/screening-disrupted-molecular-functions-and-pathways-associated-with-clear-cell-renal-cell-carcinoma-using-gibbs-sampling
#12
Ning Nan, Qi Chen, Yu Wang, Xu Zhai, Chuan-Ce Yang, Bin Cao, Tie Chong
OBJECTIVE: To explore the disturbed molecular functions and pathways in clear cell renal cell carcinoma (ccRCC) using Gibbs sampling. METHODS: Gene expression data of ccRCC samples and adjacent non-tumor renal tissues were recruited from public available database. Then, molecular functions of expression changed genes in ccRCC were classed to Gene Ontology (GO) project, and these molecular functions were converted into Markov chains. Markov chain Monte Carlo (MCMC) algorithm was implemented to perform posterior inference and identify probability distributions of molecular functions in Gibbs sampling...
July 13, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28735099/subcellular-expression-of-aquaporin-4-in-substantia-nigra-of-normal-and-mptp-treated-mice
#13
Agnete Prydz, Katja Stahl, Maja Puchades, Nina Davarpaneh, Maria Nadeem, Ole Petter Ottersen, Vidar Gundersen, Mahmood Amiry-Moghaddam
Aquaporin-4 (AQP4) is the predominant water channel in mammalian CNS where it is localized at the perivascular astrocytic foot processes abutting brain microvessels. Several lines of evidence suggest that AQP4 is involved in important homeostatic functions and that mislocalization of the perivascular pool of AQP4 is implicated in several different brain disorders. A recent study suggests that the differential susceptibility of midbrain dopaminergic neurons to the parkinsonogenic toxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) depends on the expression of AQP4...
July 19, 2017: Neuroscience
https://www.readbyqxmd.com/read/28735094/dedicated-tool-to-assess-the-impact-of-a-rhetorical-task-on-human-body-temperature
#14
Robert Koprowski, Sławomir Wilczyński, Katarzyna Martowska, Dominik Gołuch, Emilia Wrocławska-Warchala
Functional infrared thermal imaging is a method widely used in medicine, including analysis of the mechanisms related to the effect of emotions on physiological processes. The article shows how the body temperature may change during stress associated with performing a rhetorical task and proposes new parameters useful for dynamic thermal imaging measurements MATERIALS AND METHODS: 29 healthy male subjects were examined. They were given a rhetorical task that induced stress. Analysis and processing of collected body temperature data in a spatial resolution of 256×512pixels and a temperature resolution of 0...
July 19, 2017: International Journal of Psychophysiology
https://www.readbyqxmd.com/read/28735064/associations-of-fibroblast-growth-factor-21-with-cardiovascular-risk-and-%C3%AE-cell-function-in-patients-who-had-no-history-of-diabetes
#15
Jun-Sing Wang, Wayne Huey-Herng Sheu, Wen-Jane Lee, I-Te Lee, Shih-Yi Lin, Wen-Lieng Lee, Kae-Woei Liang, Shing-Jong Lin
BACKGROUND: We investigated the associations of fibroblast growth factor 21 (FGF-21) with cardiovascular risk and β-cell function in patients who had no history of diabetes. METHODS: We enrolled 269 outpatients who had been referred for an oral glucose tolerance test (OGTT). Plasma glucose, insulin, and FGF-21 were measured before and at 2h after the OGTT. β-cell function was assessed using the insulinogenic index, corrected for insulin resistance. Patients' 10-year coronary heart disease (CHD) risk was assessed using the Chinese Multi-provincial Cohort Study functions...
July 19, 2017: Clinica Chimica Acta; International Journal of Clinical Chemistry
https://www.readbyqxmd.com/read/28735012/fgwas-functional-genome-wide-association-analysis
#16
Chao Huang, Paul Thompson, Yalin Wang, Yang Yu, Jingwen Zhang, Dehan Kong, Rivka R Colen, Rebecca C Knickmeyer, Hongtu Zhu
Functional phenotypes (e.g., subcortical surface representation), which commonly arise in imaging genetic studies, have been used to detect putative genes for complexly inherited neuropsychiatric and neurodegenerative disorders. However, existing statistical methods largely ignore the functional features (e.g., functional smoothness and correlation). The aim of this paper is to develop a functional genome-wide association analysis (FGWAS) framework to efficiently carry out whole-genome analyses of functional phenotypes...
July 19, 2017: NeuroImage
https://www.readbyqxmd.com/read/28735011/assessment-and-elimination-of-the-effects-of-head-movement-on-meg-resting-state-measures-of-oscillatory-brain-activity
#17
Eirini Messaritaki, Loes Koelewijn, Diana C Dima, Gemma M Williams, Gavin Perry, Krish D Singh
Magnetoencephalography (MEG) is increasingly being used to study brain function because of its excellent temporal resolution and its direct association with brain activity at the neuronal level. One possible cause of error in the analysis of MEG data comes from the fact that participants, even MEG-experienced ones, move their head in the MEG system. Head movement can cause source localization errors during the analysis of MEG data, which can result in the appearance of source variability that does not reflect brain activity...
July 19, 2017: NeuroImage
https://www.readbyqxmd.com/read/28735008/trehalose-induced-structural-modulation-of-bovine-serum-albumin-at-ambient-temperature
#18
Ahana Das, Pijush Basak, Rudradip Pattanayak, Turban Kar, Rajib Majumder, Debadrita Pal, Anindita Bhattacharya, Maitree Bhattacharyya, Samudra Prosad Banik
Trehalose is a well-known protein stabilizing osmolyte. The present study has been designed to understand the interaction of trehalose with BSA at ambient temperature. Steady state fluorescence and life-time analysis along with CD, DLS and ITC have been employed to show that trehalose causes surface-associated structural perturbation of BSA to promote its compaction. Trehalose at 0.1M concentration resulted in increased solvent exposure of one of the two tryptophans of BSA with a 5nm redshift in emission and enhanced susceptibility to acrylamide quenching with an increase in KSV from 2...
July 19, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28734986/exogenous-hedgehog-antagonist-delays-but-does-not-prevent-fracture-healing-in-young-mice
#19
Xiaochen Liu, Jennifer A McKenzie, Clayton W Maschhoff, Michael J Gardner, Matthew J Silva
Fracture healing recapitulates many aspects of developmental osteogenesis. The hedgehog (Hh) signaling pathway, essential to skeletal development, is upregulated during fracture healing, although its importance is unclear. Our goal was to assess the functional importance of Hh signaling in endochondral fracture healing. We created closed, transverse diaphyseal femur fractures in mice, stabilized with an intramedullary pin, and administered a systemic Hh inhibitor or vehicle. Because Hh pathway activation is mediated by the receptor Smoothened (Smo), we used the Smo antagonist GDC-0449 (GDC, 50mg/kg, twice daily) to target the pathway...
July 19, 2017: Bone
https://www.readbyqxmd.com/read/28734978/insights-into-the-functional-properties-of-the-marneral-oxidase-cyp71a16-from-arabidopsis-thaliana
#20
Sarah Kranz-Finger, Osama Mahmoud, Esther Ricklefs, Nikolas Ditz, Patrick J Bakkes, Vlada B Urlacher
The Arabidopsis thaliana gene encoding CYP71A16 is part of the gene cluster for the biosynthesis and modification of the triterpenoid marneral. Previous investigations of A. thaliana have revealed that CYP71A16 oxidizes marneral, while it also can accept marnerol as substrate. The aim of the present study was to investigate functional properties of CYP71A16 in vitro. For this purpose, heterologous expression of a N-terminally modified version of CYP71A16 was established in Escherichia coli, which yielded up to 50mg·L(-1) recombinant enzyme...
July 19, 2017: Biochimica et Biophysica Acta
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