keyword
MENU ▼
Read by QxMD icon Read
search

Structure prediction

keyword
https://www.readbyqxmd.com/read/28340525/enhanced-dielectric-environment-sensitivity-of-surface-plasmon-polariton-in-the-surface-barrier-heterostructures-based-on-corrugated-thin-metal-films-with-quasi-anticorrelated-interfaces
#1
Alexander V Korovin, Nicolas L Dmitruk, Sergii V Mamykin, Viktor I Myn'ko, Mariya V Sosnova
A new approach to the formation of a 1D planar periodicity on the front of a plasmonic photodetector based on Schottky barrier is proposed. It allows forming a 1D planar periodicity with corrugation at the "metal/environment" interface by laser interference lithography using embedded chalcogenide wires, whereas the "metal/semiconductor" interface is flat that leads to reducing of surface recombination losses at Shottky barrier in contrary to the conventional technology for forming corrugated metal films on the semiconductor surface requiring chemical etching of the semiconductor substrate...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28340510/the-diverse-family-of-mmpl-transporters-in-mycobacteria-from-regulation-to-antimicrobial-developments
#2
REVIEW
Albertus Viljoen, Violaine Dubois, Fabienne Girard-Misguich, Mickael Blaise, Jean-Louis Herrmann, Laurent Kremer
Mycobacterial genomes contain large sets of loci encoding membrane proteins that belong to a family of multidrug resistance pumps designated Resistance-Nodulation-Cell Division (RND) permeases. Mycobacterial membrane protein Large (MmpL) transporters represent a subclass of RND transporters known to participate in the export of lipid components across the cell envelope. These surface-exposed lipids with unusual structures play key roles in the physiology of mycobacteria and/or can act as virulence factors and immunomodulators...
March 24, 2017: Molecular Microbiology
https://www.readbyqxmd.com/read/28340484/engineering-of-layered-lipid-encapsulated-drug-nanoparticles-through-spray-drying
#3
Mahak Sapra, Y S Mayya, Chandra Venkataraman
Drug-containing nanoparticles have been synthesized through the spray-drying of submicron droplet aerosols by using matrix materials such as lipids and biopolymers. Understanding layer formation in composite nanoparticles is essential for the appropriate engineering of particle substructures. The present study developed a droplet-shrinkage model for predicting the solid-phase formation of two non-volatile solutes-stearic acid lipid and a set of drugs, by considering molecular volume and solubility. Nanoparticle formation was simulated to define the parameter space of material properties and process conditions for the formation of a layered structure with the preferential accumulation of the lipid in the outer layer...
March 18, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28340427/identification-and-characterization-of-a-%C3%AE-defensin-gene-involved-in-the-immune-defense-response-of-channel-catfish-ictalurus-punctatus
#4
Jieyao Zhu, Hong Wang, Jun Wang, Xingli Wang, Shuang Peng, Yi Geng, Kaiyu Wang, Pin Ouyang, Zhiqiong Li, Xiaoli Huang, Defang Chen
Antimicrobial peptides are small peptides that play important roles in a host's innate immune response. As an important antimicrobial peptide, β-defensin widely distribute in mammals, insects and plants with broad-spectrum antimicrobial activity. In this study, the β-defensin gene of the channel catfish, Ictalurus punctatus, was cloned, sequenced, and subjected to a bioinformatic analysis. The β-defensin gene of the channel catfish contains three exons and two introns, and encodes a precursor peptide consisting of two domains: a signal peptide of 24 amino acid residues and a mature peptide of 43 amino acid residues...
March 21, 2017: Molecular Immunology
https://www.readbyqxmd.com/read/28340400/pharmacoinformatics-exploration-of-polyphenol-oxidases-leading-to-novel-inhibitors-by-virtual-screening-and-molecular-dynamic-simulation-study
#5
Mubashir Hassan, Qamar Abbas, Zaman Ashraf, Ahmed A Moustafa, Sung-Yum Seo
Polyphenol oxidases (PPOs)/tyrosinases are metal-dependent enzymes and known as important targets for melanogenesis. Although considerable attempts have been conducted to control the melanin-associated diseases by using various inhibitors. However, the exploration of the best anti-melanin inhibitor without side effect still remains a challenge in drug discovery. In present study, protein structure prediction, ligand-based pharmacophore modeling, virtual screening, molecular docking and dynamic simulation study were used to screen the strong novel inhibitor to cure melanogenesis...
March 15, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28340354/mechanism-of-substrate-translocation-in-an-alternating-access-transporter
#6
Naomi R Latorraca, Nathan M Fastman, A J Venkatakrishnan, Wolf B Frommer, Ron O Dror, Liang Feng
Transporters shuttle molecules across cell membranes by alternating among distinct conformational states. Fundamental questions remain about how transporters transition between states and how such structural rearrangements regulate substrate translocation. Here, we capture the translocation process by crystallography and unguided molecular dynamics simulations, providing an atomic-level description of alternating access transport. Simulations of a SWEET-family transporter initiated from an outward-open, glucose-bound structure reported here spontaneously adopt occluded and inward-open conformations...
March 23, 2017: Cell
https://www.readbyqxmd.com/read/28340089/how-embryophytic-is-the-biosynthesis-of-phenylpropanoids-and-their-derivatives-in-streptophyte-algae
#7
Jan de Vries, Sophie de Vries, Claudio H Slamovits, Laura E Rose, John M Archibald
The origin of land plants from algae is a long-standing question in evolutionary biology. It is becoming increasingly clear that many characters that were once assumed to be "embryophyte-specific" can in fact be found in their closest algal relatives, the streptophyte algae. One such case is the phenylpropanoid pathway. While biochemical data indicate that streptophyte algae harbor lignin-like components, the phenylpropanoid core pathway, which serves as the backbone of lignin biosynthesis, has been proposed to have arisen at the base of the land plants...
March 13, 2017: Plant & Cell Physiology
https://www.readbyqxmd.com/read/28340008/pre-treatment-interleukin-6-levels-strongly-affect-bone-erosion-progression-and-repair-detected-by-magnetic-resonance-imaging-in-rheumatoid-arthritis-patients
#8
Yasushi Kondo, Yuko Kaneko, Hiroaki Sugiura, Shunsuke Matsumoto, Naoshi Nishina, Masataka Kuwana, Masahiro Jinzaki, Tsutomu Takeuchi
Objective.: To examine the relationship between MRI structural damage and repair and plasma inflammatory cytokines in patients with RA. Methods.: A total of 88 newly diagnosed, untreated RA patients were enrolled. Contrast MRI of the dominant hand and X-rays of the hands and feet were performed at baseline and 1 year later. MR images were evaluated using RA MRI scoring, and X-ray. were assessed by the modified total Sharp score. Erosion progression was defined as changes in RA MRI scoring erosion or modified total Sharp score erosion of >0...
March 8, 2017: Rheumatology
https://www.readbyqxmd.com/read/28339599/a-single-nucleotide-polymorphism-in-coq9-affects-mitochondrial-and-ovarian-function-and-fertility-in-holstein-cows%C3%A2
#9
M Sofia Ortega, Stephanie Wohlgemuth, Paula Tribulo, Luiz G B Siqueira, Daniel J Null, John B Cole, Marcus V Da Silva, Peter J Hansen
A single missense mutation at position 159 of coenzyme Q9 (COQ9) (G→A; rs109301586) has been associated with genetic variation in fertility in Holstein cattle, with the A allele associated with higher fertility. COQ9 is involved in the synthesis of coenzyme COQ10, a component of the electron transport system of the mitochondria. Here we tested whether reproductive phenotype is associated with the mutation and evaluated functional consequences for cellular oxygen metabolism, body weight changes, and ovarian function...
February 3, 2017: Biology of Reproduction
https://www.readbyqxmd.com/read/28339482/a-genome-wide-identification-and-analysis-of-the-dyw-deaminase-genes-in-the-pentatricopeptide-repeat-gene-family-in-cotton-gossypium-spp
#10
Bingbing Zhang, Guoyuan Liu, Xue Li, Liping Guo, Xuexian Zhang, Tingxiang Qi, Hailin Wang, Huini Tang, Xiuqin Qiao, Jinfa Zhang, Chaozhu Xing, Jianyong Wu
The RNA editing occurring in plant organellar genomes mainly involves the change of cytidine to uridine. This process involves a deamination reaction, with cytidine deaminase as the catalyst. Pentatricopeptide repeat (PPR) proteins with a C-terminal DYW domain are reportedly associated with cytidine deamination, similar to members of the deaminase superfamily. PPR genes are involved in many cellular functions and biological processes including fertility restoration to cytoplasmic male sterility (CMS) in plants...
2017: PloS One
https://www.readbyqxmd.com/read/28339459/functional-classification-of-dna-variants-by-hybrid-minigenes-identification-of-30-spliceogenic-variants-of-brca2-exons-17-and-18
#11
Eugenia Fraile-Bethencourt, Beatriz Díez-Gómez, Valeria Velásquez-Zapata, Alberto Acedo, David J Sanz, Eladio A Velasco
Mutation screening of the breast cancer genes BRCA1 and BRCA2 identifies a large fraction of variants of uncertain clinical significance (VUS) whose functional and clinical interpretations pose a challenge for genomic medicine. Likewise, an increasing amount of evidence indicates that genetic variants can have deleterious effects on pre-mRNA splicing. Our goal was to investigate the impact on splicing of a set of reported variants of BRCA2 exons 17 and 18 to assess their role in hereditary breast cancer and to identify critical regulatory elements that may constitute hotspots for spliceogenic variants...
March 24, 2017: PLoS Genetics
https://www.readbyqxmd.com/read/28339324/mobile-but-connected-harnessing-the-power-of-self-efficacy-and-group-support-for-weight-loss-success-through-mhealth-intervention
#12
Heewon Kim, Meara Faw, Andreas Michaelides
Despite the growing popularity of mHealth applications, their usage outcomes have received limited empirical attention. Drawing on server-level user activity data and an online survey (N = 384), this study examines the use of an mHealth application for weight loss to elucidate the ways in which it can help individuals harness the power of self-efficacy and group support to enact behavior change and accomplish their health goals. The results of structural equation modeling based on 6-month user activity data demonstrated that (a) self-efficacy had a positive impact on persistent food logging in an mHealth application; (b) social support received from a mobile group was positively associated with food logging and group participation; and (c) both food logging and group participation predicted weight loss success...
March 24, 2017: Journal of Health Communication
https://www.readbyqxmd.com/read/28339135/integrated-models-to-support-multiobjective-ecological-restoration-decisions
#13
Hannah Fraser, Libby Rumpff, Jian D L Yen, Doug Robinson, Brendan A Wintle
Many objectives motivate ecological restoration including improving vegetation condition, increasing the range and abundance of threatened species, and improving aggregate measures of biodiversity such as richness and diversity. While ecological models have been used to examine the outcomes of ecological restoration, there are few attempts to develop models to account for multiple, potentially competing objectives. We develop the first predictive model that integrates a vegetation-focused state-and-transition model with species distribution models for birds...
March 24, 2017: Conservation Biology: the Journal of the Society for Conservation Biology
https://www.readbyqxmd.com/read/28339004/cyclocurcumin-a-curcumin-derivative-exhibits-immune-modulating-ability-and-is-a-potential-compound-for-the-treatment-of-rheumatoid-arthritis-as-predicted-by-the-mm-pbsa-method
#14
Min Fu, Lihui Chen, Limin Zhang, Xiao Yu, Qingrui Yang
The control and treatment of rheumatoid arthritis is a challenge in today's world. Therefore, the pursuit of natural disease-modifying antirheumatic drugs (DMRDs) remains a top priority in rheumatology. The present study focused on curcumin and its derivatives in the search for new DMRDs. We focused on prominent p38 mitogen-activated protein (MAP) kinase p38α which is a prime regulator of tumor necrosis factor-α (TNF-α), a key mediator of rheumatoid arthritis. In the present study, we used the X-ray crystallographic structure of p38α for molecular docking simulations and molecular dynamic simulations to study the binding modes of curcumin and its derivatives with the active site of p38α...
March 20, 2017: International Journal of Molecular Medicine
https://www.readbyqxmd.com/read/28338970/woody-plant-ecosystems-under-climate-change-and-air-pollution-response-consistencies-across-zonobiomes
#15
R Matyssek, A R Kozovits, G Wieser, J King, H Rennenberg
Forests store the largest terrestrial pools of carbon (C), helping to stabilize the global climate system, yet are threatened by climate change (CC) and associated air pollution (AP, highlighting ozone (O3) and nitrogen oxides (NOx)). We adopt the perspective that CC-AP drivers and physiological impacts are universal, resulting in consistent stress responses of forest ecosystems across zonobiomes. Evidence supporting this viewpoint is presented from the literature on ecosystem gross/net primary productivity and water cycling...
March 14, 2017: Tree Physiology
https://www.readbyqxmd.com/read/28338958/molecular-cloning-and-characterization-of-antimicrobial-peptides-from-skin-of-hylarana-guentheri
#16
Zhu Dong, Wenjie Luo, Hengren Zhong, Manchuriga Wang, Yanting Song, Shiming Deng, Yingxia Zhang
The cDNAs encoding antimicrobial peptides (AMPs) in the skin of Hylarana guentheri were identified, namely temporin (five peptides, termed temporin-GHa-GHd and temporin-GUa), brevinin-1 (one peptide, brevinin-1GUb), and brevinin-2 (eight peptides, brevinin-2GHd-2GHj, and brevinin-2GHb). Eleven of the 14 peptides have novel primary structures. Synthesized temporin GHa-GHd have broad-spectrum antimicrobial activities against Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis), Gram-negative bacteria (Escherichia coli, Vibrio alginolyticus, and Pseudomonas aeruginosa), as well as fungus (Candida albicans)...
March 18, 2017: Acta Biochimica et Biophysica Sinica
https://www.readbyqxmd.com/read/28338903/disulfide-bridges-as-essential-elements-for-the-thermostability-of-lytic-polysaccharide-monooxygenase-lpmo10c-from-streptomyces-coelicolor
#17
Magali Tanghe, Barbara Danneels, Matthias Last, Koen Beerens, Ingeborg Stals, Tom Desmet
Lytic polysaccharide monooxygenases (LPMOs) are crucial components of cellulase mixtures but their stability has not yet been studied in detail, let alone been engineered for industrial applications. In this work, we have evaluated the importance of disulfide bridges for the thermodynamic stability of Streptomyces coelicolor LPMO10C. Interestingly, this enzyme was found to retain 34% of its activity after 2-h incubation at 80°C while its apparent melting temperature (Tm) is only 51°C. When its three disulfide bridges were broken, however, irreversible unfolding occurred and no residual activity could be detected after a similar heat treatment...
March 9, 2017: Protein Engineering, Design & Selection: PEDS
https://www.readbyqxmd.com/read/28338896/rapid-evolution-of-microrna-loci-in-the-brown-algae
#18
J Mark Cock, Fuli Liu, Delin Duan, Simon Bourdareau, Agnieszka Lipinska, Susana M Coelho, James E Tarver
Stringent searches for microRNAs (miRNAs) have so far only identified these molecules in animals, land plants, chlorophyte green algae, slime molds and brown algae. The identification of miRNAs in brown algae was based on analysis of a single species, the filamentous brown alga Ectocarpus sp. Here we have used deep sequencing of small RNAs and a recently published genome sequence to identify miRNAs in a second brown alga, the kelp Saccharina japonica. S. japonica possesses a large number of miRNAs (117) and these miRNAs are highly diverse, falling into 98 different families...
March 3, 2017: Genome Biology and Evolution
https://www.readbyqxmd.com/read/28338785/elevated-nucleus-accumbens-structural-connectivity-associated-with-proneness-to-hypomania-a-reward-hypersensitivity-perspective
#19
Katherine S Damme, Christina B Young, Robin Nusslock
The Reward Hypersensitivity Model of bipolar disorder argues that hypersensitivity to reward-relevant cues characterizes risk for hypo/mania. This hypersensitivity leads to increased goal-directed motivation during reward-relevant life events that, in the extreme, is reflected in hypo/manic symptoms. In line with this perspective, individuals with bipolar disorder display elevated activation in a cortico-striatal reward circuit including the nucleus accumbens (NAcc) and medial orbitofrontal cortex (mOFC). To date, however, research on reward-related neural circuitry underlying bipolar symptoms focuses on syndromal bipolar disorder (bipolar I, bipolar II), and typically examines neural regions in isolation of each other...
February 17, 2017: Social Cognitive and Affective Neuroscience
https://www.readbyqxmd.com/read/28338515/surgeon-participation-in-early-accountable-care-organizations
#20
Matthew J Resnick, Amy J Graves, Melinda B Buntin, Michael R Richards, David F Penson
OBJECTIVE: We aimed to characterize the landscape of surgeon participation in early accountable care organizations (ACOs) and to identify specialty-, organization-, and market-specific factors associated with ACO participation. BACKGROUND: Despite rapid deployment of alternative payment models (APMs), little is known about the prevalence of surgeon participation, and key drivers behind surgeon participation in APMs. METHODS: Using data from SK&A, a research firm, we evaluated the near universe of US practices to characterize ACO participation among 125,425 US surgeons in 2015...
March 23, 2017: Annals of Surgery
keyword
keyword
59621
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"