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https://www.readbyqxmd.com/read/28239717/simulations-and-spectra-of-water-in-co-matrices
#1
Rafael Escribano, Emilio Artacho, Akira Kouchi, Tetusya Hama, Yuki Kimura, Hiroshi Hidaka, Naoki Watanabe
Models for the inclusion of water molecules in carbon monoxide matrices are developed using density functional theory applied to amorphous solid systems. The models cover a large range of systems for smaller or larger CO matrices with different water content, consisting of either individual H2O molecules or small clusters linked by H-bonds. The vibrational spectra of the samples are predicted at the minimum of their potential energy surface. The spectra allow instances where the water molecules remain isolated or form aggregates to be discerned, and they also provide an indication of the strength of the H-bonding, when present...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28239676/intact-ventral-striatal-prediction-error-signaling-in-medicated-schizophrenia-patients
#2
Adam J Culbreth, Andrew Westbrook, Ziye Xu, Deanna M Barch, James A Waltz
BACKGROUND: Midbrain dopaminergic neurons code a computational quantity, reward prediction error (RPE), which has been causally related to learning. Recently, this insight has been leveraged to link phenomenological and biological levels of understanding in psychiatric disorders, such as schizophrenia. However, results have been mixed, possibly due to small sample sizes. Here we present results from two studies with relatively large Ns to assess VS RPE in schizophrenia. METHODS: In the current study we analyzed data from two independent studies, involving a total of 87 chronic medicated schizophrenia patients and 61 controls...
September 2016: Biological Psychiatry: Cognitive Neuroscience and Neuroimaging
https://www.readbyqxmd.com/read/28239671/development-of-a-model-to-determine-mass-transfer-coefficient-and-oxygen-solubility-in-bioreactors
#3
Johnny Lee
The objective of this paper is to present an experimentally validated mechanistic model to predict the oxygen transfer rate coefficient (Kla) in aeration tanks for different water temperatures. Using experimental data created by Hunter and Vogelaar, the formula precisely reproduces experimental results for the standardized Kla at 20 °C, comparatively better than the current model used by ASCE 2-06 based on the equation Kla20 = Kla. ([Formula: see text])((20-T)) where T is in °C. Currently, reported values for [Formula: see text] range from 1...
February 2017: Heliyon
https://www.readbyqxmd.com/read/28239647/enhanced-fcgr2a-and-fcgr3a-signaling-by-hiv-viremic-controller-igg
#4
Raymond A Alvarez, Ana M Maestre, Kenneth Law, Natasha D Durham, Maria Ines Barria, Akiko Ishii-Watabe, Minoru Tada, Manav Kapoor, Mathew T Hotta, Gabriela Rodriguez-Caprio, Daniel S Fierer, Ana Fernandez-Sesma, Viviana Simon, Benjamin K Chen
HIV-1 viremic controllers (VC) spontaneously control infection without antiretroviral treatment. Several studies indicate that IgG Abs from VCs induce enhanced responses from immune effector cells. Since signaling through Fc-γ receptors (FCGRs) modulate these Ab-driven responses, here we examine if enhanced FCGR activation is a common feature of IgG from VCs. Using an infected cell-based system, we observed that VC IgG stimulated greater FCGR2A and FCGR3A activation as compared with noncontrollers, independent of the magnitude of HIV-specific Ab binding or virus neutralization activities...
February 23, 2017: JCI Insight
https://www.readbyqxmd.com/read/28239609/application-of-taxonomic-modeling-to-microbiota-data-mining-for-detection-of-helminth-infection-in-global-populations
#5
Mahbaneh Eshaghzadeh Torbati, Makedonka Mitreva, Vanathi Gopalakrishnan
Human microbiome data from genomic sequencing technologies is fast accumulating, giving us insights into bacterial taxa that contribute to health and disease. The predictive modeling of such microbiota count data for the classification of human infection from parasitic worms, such as helminths, can help in the detection and management across global populations. Real-world datasets of microbiome experiments are typically sparse, containing hundreds of measurements for bacterial species, of which only a few are detected in the bio-specimens that are analyzed...
December 2016: Data (Basel)
https://www.readbyqxmd.com/read/28239422/differential-regulation-of-riboflavin-supply-genes-in-vibrio-cholerae
#6
Ignacio Sepúlveda Cisternas, Alexia Torres, Andrés Fuentes Flores, Víctor Antonio García Angulo
BACKGROUND: Riboflavin is the precursor of important redox cofactors such as flavin mononucleotide (FMN) and flavin adenine dinucleotide, required for several biological processes. Vibrio cholerae, a pathogenic bacterium responsible for the cholera disease, possesses the ability to biosynthesize de novo as well as to uptake riboflavin through the riboflavin biosynthetic pathway (RBP) and the RibN importer, respectively. The intra-organism relationship between riboflavin biosynthesis and uptake functions has not been studied...
2017: Gut Pathogens
https://www.readbyqxmd.com/read/28239373/variations-of-soil-microbial-community-structures-beneath-broadleaved-forest-trees-in-temperate-and-subtropical-climate-zones
#7
Sihang Yang, Yuguang Zhang, Jing Cong, Mengmeng Wang, Mengxin Zhao, Hui Lu, Changyi Xie, Caiyun Yang, Tong Yuan, Diqiang Li, Jizhong Zhou, Baohua Gu, Yunfeng Yang
Global warming has shifted climate zones poleward or upward. However, understanding the responses and mechanism of microbial community structure and functions relevant to natural climate zone succession is challenged by the high complexity of microbial communities. Here, we examined soil microbial community in three broadleaved forests located in the Wulu Mountain (WLM, temperate climate), Funiu Mountain (FNM, at the border of temperate and subtropical climate zones), or Shennongjia Mountain (SNJ, subtropical climate)...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28239372/identification-by-genome-mining-of-a-type-i-polyketide-gene-cluster-from-streptomyces-argillaceus-involved-in-the-biosynthesis-of-pyridine-and-piperidine-alkaloids-argimycins-p
#8
Suhui Ye, Brian Molloy, Alfredo F Braña, Daniel Zabala, Carlos Olano, Jesús Cortés, Francisco Morís, José A Salas, Carmen Méndez
Genome mining of the mithramycin producer Streptomyces argillaceus ATCC 12956 revealed 31 gene clusters for the biosynthesis of secondary metabolites, and allowed to predict the encoded products for 11 of these clusters. Cluster 18 (renamed cluster arp) corresponded to a type I polyketide gene cluster related to the previously described coelimycin P1 and streptazone gene clusters. The arp cluster consists of fourteen genes, including genes coding for putative regulatory proteins (a SARP-like transcriptional activator and a TetR-like transcriptional repressor), genes coding for structural proteins (three PKSs, one aminotransferase, two dehydrogenases, two cyclases, one imine reductase, a type II thioesterase, and a flavin reductase), and one gene coding for a hypothetical protein...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28239300/mir-7-inhibits-progression-of-hepatocarcinoma-by-targeting-klf-4-and-promises-a-novel-diagnostic-biomarker
#9
Weizhong Wu, Sanguang Liu, Yunfei Liang, Zegao Zhou, Xueqing Liu
BACKGROUND: MicroRNAs are 22-24 nt non-coding RNAs that bind to the 3' UTR of target mRNAs, thereby inducing mRNA degradation or inhibiting mRNA translation. Due to their implication in the regulation of post-transcriptional processes, the role of miRNAs in hepatocellular carcinoma (HCC) has been extensively studied. However, the function of miR-7 in HCC remains to be demonstrated. METHODS: 50 paired HCC tissues and matched peritumor tissues from patients were collected...
2017: Cancer Cell International
https://www.readbyqxmd.com/read/28239231/genome-wide-discovery-of-dna-polymorphisms-in-mei-prunus-mume-sieb-et-zucc-an-ornamental-woody-plant-with-contrasting-tree-architecture-and-their-functional-relevance-for-weeping-trait
#10
Jie Zhang, Kai Zhao, Dan Hou, Junhuo Cai, Qixiang Zhang, Tangren Cheng, Huitang Pan, Weiru Yang
Next-generation sequencing technologies provide opportunities to ascertain the genetic basis of phenotypic differences, even in the closely related cultivars via detection of large amount of DNA polymorphisms. In this study, we performed whole-genome re-sequencing of two mei cultivars with contrasting tree architecture. 75.87 million 100 bp pair-end reads were generated, with 92 % coverage of the genome. Re-sequencing data of two former upright mei cultivars were applied for detecting DNA polymorphisms, since we were more interested in variations conferring weeping trait...
2017: Plant Molecular Biology Reporter
https://www.readbyqxmd.com/read/28239186/a-priori-mesh-grading-for-the-numerical-calculation-of-the-head-related-transfer-functions
#11
Harald Ziegelwanger, Wolfgang Kreuzer, Piotr Majdak
Head-related transfer functions (HRTFs) describe the directional filtering of the incoming sound caused by the morphology of a listener's head and pinnae. When an accurate model of a listener's morphology exists, HRTFs can be calculated numerically with the boundary element method (BEM). However, the general recommendation to model the head and pinnae with at least six elements per wavelength renders the BEM as a time-consuming procedure when calculating HRTFs for the full audible frequency range. In this study, a mesh preprocessing algorithm is proposed, viz...
December 15, 2016: Applied Acoustics. Acoustique Appliqué. Angewandte Akustik
https://www.readbyqxmd.com/read/28239160/insights-into-the-molecular-mechanisms-of-polygonum-multiflorum-thunb-induced-liver-injury-a-computational-systems-toxicology-approach
#12
Yin-Yin Wang, Jie Li, Zeng-Rui Wu, Bo Zhang, Hong-Bin Yang, Qin Wang, Ying-Chun Cai, Gui-Xia Liu, Wei-Hua Li, Yun Tang
An increasing number of cases of herb-induced liver injury (HILI) have been reported, presenting new clinical challenges. In this study, taking Polygonum multiflorum Thunb (PmT) as an example, we proposed a computational systems toxicology approach to explore the molecular mechanisms of HILI. First, the chemical components of PmT were extracted from 3 main TCM databases as well as the literature related to natural products. Then, the known targets were collected through data integration, and the potential compound-target interactions (CTIs) were predicted using our substructure-drug-target network-based inference (SDTNBI) method...
February 27, 2017: Acta Pharmacologica Sinica
https://www.readbyqxmd.com/read/28239054/critical-care-management-focused-on-optimizing-brain-function-after-cardiac-arrest
#13
Ryuta Nakashima, Toru Hifumi, Kenya Kawakita, Tomoya Okazaki, Satoshi Egawa, Akihiko Inoue, Ryutaro Seo, Nobuhiro Inagaki, Yasuhiro Kuroda
The discussion of neurocritical care management in post-cardiac arrest syndrome (PCAS) has generally focused on target values used for targeted temperature management (TTM). There has been less attention paid to target values for systemic and cerebral parameters to minimize secondary brain damage in PCAS. And the neurologic indications for TTM to produce a favorable neurologic outcome remain to be determined. Critical care management of PCAS patients is fundamental and essential for both cardiologists and general intensivists to improve neurologic outcome, because definitive therapy of PCAS includes both special management of the cause of cardiac arrest, such as coronary intervention to ischemic heart disease, and intensive management of the results of cardiac arrest, such as ventilation strategies to avoid brain ischemia...
February 24, 2017: Circulation Journal: Official Journal of the Japanese Circulation Society
https://www.readbyqxmd.com/read/28238947/identification-of-novel-mrp3-inhibitors-based-on-computational-models-and-validation-using-an-in-vitro-membrane-vesicle-assay
#14
Izna Ali, Matthew A Welch, Yang Lu, Peter W Swaan, Kim L R Brouwer
INTRODUCTION: Multidrug resistance-associated protein 3 (MRP3), an efflux transporter on the hepatic basolateral membrane, may function as a compensatory mechanism to prevent the accumulation of anionic substrates (e.g., bile acids) in hepatocytes. Inhibition of MRP3 may disrupt bile acid homeostasis and is one hypothesized risk factor for the development of drug-induced liver injury (DILI). Therefore, identifying potential MRP3 inhibitors could help mitigate the occurrence of DILI. METHODS: Bayesian models were developed using MRP3 transporter inhibition data for 86 structurally diverse drugs...
February 23, 2017: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28238938/estimating-direction-in-brain-behavior-interactions-proactive-and-reactive-brain-states-in-driving
#15
Javier O Garcia, Justin Brooks, Scott Kerick, Tony Johnson, Tim R Mullen, Jean M Vettel
Conventional neuroimaging analyses have ascribed function to particular brain regions, exploiting the power of the subtraction technique in fMRI and event-related potential analyses in EEG. Moving beyond this convention, many researchers have begun exploring network-based neurodynamics and coordination between brain regions as a function of behavioral parameters or environmental statistics; however, most approaches average evoked activity across the experimental session to study task-dependent networks. Here, we examined on-going oscillatory activity as measured with EEG and use a methodology to estimate directionality in brain-behavior interactions...
February 22, 2017: NeuroImage
https://www.readbyqxmd.com/read/28238937/sp1-is-a-competitive-endogenous-rna-of-klf4-during-odontoblast-differentiation
#16
Jie Zhang, Huan Liu, Heng Lin, Shuchen Li, Huangheng Tao, Lu Zhang, Guohua Yuan, Zhi Chen
Our previous studies have demonstrated that KLF4 is a critical transcription factor that promotes the odontoblastic differentiation of dental papilla cells. Klf4 mRNA was found to be regulated by multiple microRNAs (miRNAs). Competitive endogenous RNAs (ceRNAs) are a group of transcripts post-transcriptionally regulating each other by competing for their common miRNAs. However, the regulation of Klf4 by ceRNAs in odontoblastic differentiation remains unknown. In this study, we predicted a group of potential Klf4 ceRNAs with bioinformatics approach, and examined the expression of Klf4 and five interested potential ceRNAs including Sp1 using real-time PCR during odontoblastic differentiation of mDPC6T...
February 23, 2017: International Journal of Biochemistry & Cell Biology
https://www.readbyqxmd.com/read/28238878/characterization-and-expression-analysis-of-serpinb3-the-first-clade-b-serine-protease-inhibitor-in-pacific-white-shrimp-litopenaeus-vannamei
#17
Yongjie Liu, Fujun Hou, Xiaolin Liu
Currently, about nine serpin clades (A-I) were preferentially observed in higher animals and clustered on the basis of function. Of these, eight clades contain extracellular proteins, while clade B contains predominantly intracellular proteins. In the present study, the first clade B serpin (named LvserpinB3) was identified from the Pacific white shrimp Litopenaeus vannamei. LvserpinB3 encoded a 412-amino acid protein with a 19-amino acid signal peptide and a serpin domain. Moreover, a transmembrane helix (TMHs) was predicted to be located on the N-terminal of LvserpinB3...
February 23, 2017: Developmental and Comparative Immunology
https://www.readbyqxmd.com/read/28238817/the-relationship-between-maternal-responsivity-socioeconomic-status-and-resting-autonomic-nervous-system-functioning-in-mexican-american-children
#18
Megan Johnson, Julianna Deardorff, Elizabeth L Davis, William Martinez, Brenda Eskenazi, Abbey Alkon
Adversity, such as living in poor socioeconomic conditions during early childhood, can become embedded in children's physiology and deleteriously affect their health later in life. On the other hand, maternal responsivity may have adaptive effects on physiology during early childhood development. The current study tested both the additive and interactive effects of socioeconomic status (SES) and maternal responsivity measured at 1year of age on resting autonomic nervous system (ANS) function and trajectory during the first 5years of life...
February 23, 2017: International Journal of Psychophysiology
https://www.readbyqxmd.com/read/28238815/measurement-of-functional-cognition-and-complex-everyday-activities-in-older-adults-with-mild-cognitive-impairment-and-mild-dementia-validity-of-the-large-allen-s-cognitive-level-screen
#19
Jacqueline Wesson, Lindy Clemson, John D Crawford, Nicole A Kochan, Henry Brodaty, Simone Reppermund
OBJECTIVE: To explore the validity of the Large Allen's Cognitive Level Screen-5 (LACLS-5) as a performance-based measure of functional cognition, representing an ability to perform complex everyday activities in older adults with mild cognitive impairment (MCI) and mild dementia living in the community. METHODS: Using cross-sectional data from the Sydney Memory and Ageing Study, 160 community-dwelling older adults with normal cognition (CN; N = 87), MCI (N = 43), or dementia (N = 30) were studied...
January 4, 2017: American Journal of Geriatric Psychiatry
https://www.readbyqxmd.com/read/28238681/early-amplitude-integrated-electroencephalography-for-monitoring-neonates-at-high-risk-for-brain-injury
#20
Gabriel Fernando Todeschi Variane, Maurício Magalhães, Renato Gasperine, Heitor Castelo Branco Rodrigues Alves, Thiago Luiz Pereira Donoso Scoppetta, Rodrigo de Jesus Gonçalves Figueredo, Francisco Paulo Martins Rodrigues, Alexandre Netto, Marcelo Jenne Mimica, Clery Bernardi Gallacci
OBJECTIVE: This study aimed to correlate amplitude-integrated electroencephalography findings with early outcomes, measured by mortality and neuroimaging findings, in a prospective cohort of infants at high risk for brain injury in this center in Brazil. METHODS: This blinded prospective cohort study evaluated 23 preterm infants below 31 weeks of gestational age and 17 infants diagnosed with hypoxic-ischemic encephalopathy secondary to perinatal asphyxia, with gestational age greater than 36 weeks, monitored with amplitude-integrated electroencephalography in a public tertiary center from February 2014 to January 2015...
February 23, 2017: Jornal de Pediatria
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