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https://www.readbyqxmd.com/read/28212487/interactions-between-membranes-and-metaphilic-polypeptide-architectures-with-diverse-sidechain-populations
#1
Michelle W Lee, Ming Han, Guilherme Volpe Bossa, Carly Snell, Ziyuan Song, Haoyu Tang, Lichen Yin, Jianjun Cheng, Sylvio May, Erik Luijten, Gerard C L Wong
At physiological conditions, most proteins or peptides can fold into relatively stable structures that present on their molecular surfaces specific chemical patterns partially smeared out by thermal fluctuations. These nanoscopically defined patterns of charge, hydrogen bonding, and/or hydrophobicity, along with their elasticity and shape stability (folded proteins have Young's moduli of ~1 × 10(8) Pa), largely determine and limit the interactions of these molecules, such as molecular recognition and allosteric regulation...
February 17, 2017: ACS Nano
https://www.readbyqxmd.com/read/28212447/diffuse-large-b-cell-lymphoma-with-concurrent-high-myc-and-bcl2-expression-shows-evidence-of-active-b-cell-receptor-signaling-by-quantitative-immunofluorescence
#2
Agata M Bogusz, Alexandra E Kovach, Long P Le, Derek Feng, Richard H G Baxter, Aliyah R Sohani
B-cell receptor (BCR)-mediated signaling plays an important role in the pathogenesis of a subset of diffuse large B-cell lymphoma (DLBCL), and novel agents targeting this pathway are now in clinical use. We have previously identified a signature of active BCR signaling on formalin-fixed paraffin-embedded specimens using quantitative immunofluorescence, allowing for identification of patients who might benefit from anti-BCR therapies. We sought to characterize the clinicopathologic significance of active BCR signaling in DLBCL by correlating measures of signaling intensity with clinical features and various tumor cell characteristics...
2017: PloS One
https://www.readbyqxmd.com/read/28212290/defining-clinical-response-criteria-and-early-response-criteria-for-precision-oncology-current-state-of-the-art-and-future-perspectives
#3
Vivek Subbiah, Hubert H Chuang, Dhiraj Gambhire, Kalevi Kairemo
In this era of precision oncology, there has been an exponential growth in the armamentarium of genomically targeted therapies and immunotherapies. Evaluating early responses to precision therapy is essential for "go" versus "no go" decisions for these molecularly targeted drugs and agents that arm the immune system. Many different response assessment criteria exist for use in solid tumors and lymphomas. We reviewed the literature using the Medline/PubMed database for keywords "response assessment" and various known response assessment criteria published up to 2016...
February 15, 2017: Diagnostics
https://www.readbyqxmd.com/read/28212227/comparing-video-and-direct-laryngoscopy-in-critically-ill-patients-rational-study-design-is-important
#4
Fu-Shan Xue, Gui Zhen Yang, Chao Sun
No abstract text is available yet for this article.
March 2017: Critical Care Medicine
https://www.readbyqxmd.com/read/28212215/rationalizing-orthopedic-and-anesthesiology-weekend-coverage
#5
Robert C Jacobs, Patrick C Schottel, Mitchell H Tsai
No abstract text is available yet for this article.
February 16, 2017: Anesthesia and Analgesia
https://www.readbyqxmd.com/read/28212155/molecular-markers-in-lung-cancer-role-of-ebus
#6
Semra Bilaçeroğlu
PURPOSE OF REVIEW: As demonstrated by the recent therapeutic advances in nonsmall cell lung cancer (NSCLC), a personalized approach can considerably reduce its mortality. RECENT FINDINGS: Molecular tests identifying genetic mutations in NSCLC have led to a shift towards more effective and personalized therapies targeted to these alterations. Adequate tissue is required for diagnosing, subcharacterizing, and genotyping NSCLC by morphological, immunohistochemical, and molecular techniques...
February 16, 2017: Current Opinion in Pulmonary Medicine
https://www.readbyqxmd.com/read/28212153/new-therapies-for-the-prevention-and-treatment-of-exacerbations-of-bronchiectasis
#7
Hani Abo-Leyah, James D Chalmers
PURPOSE OF REVIEW: Exacerbations of bronchiectasis have a major impact on quality of life, healthcare costs, and long-term risk of complications. Preventing exacerbations is one of the major goals of treatment. Bronchiectasis is increasingly recognized and the impact of bronchiectasis exacerbations on daily clinical practice is also increasing. RECENT FINDINGS: Preventing bronchiectasis exacerbations are dependent on appropriate risk assessment, identifying the patients at highest risk to rationally target preventive therapies...
February 16, 2017: Current Opinion in Pulmonary Medicine
https://www.readbyqxmd.com/read/28212112/cancer-as-robust-intrinsic-state-shaped-by-evolution-a-key-issues-review
#8
Ruoshi Yuan, Xiaomei Zhu, Gaowei Wang, Site Li, Ping Ao
Cancer is a complex disease: its pathology cannot be properly understood in terms of independent players-genes, proteins, molecular pathways, or their simple combinations. This is similar to many-body physics of a condensed phase that many important properties are not determined by a single atom or molecule. The rapidly accumulating large 'omics' data also require a new mechanistic and global underpinning to organize for rationalizing cancer complexity. A unifying and quantitative theory was proposed by some of the present authors that cancer is a robust state formed by the endogenous molecular-cellular network, which is evolutionarily built for the developmental processes and physiological functions...
February 17, 2017: Reports on Progress in Physics
https://www.readbyqxmd.com/read/28212020/a-new-reaction-pathway-induced-by-plasmon-for-selective-benzyl-alcohol-oxidation-on-biocl-possessing-oxygen-vacancies
#9
Hao Li, Feng Qin, Zhiping Yang, Ximin Cui, Jianfang Wang, Lizhi Zhang
Selective organic transformation under mild conditions constitutes a challenge in green chemistry, especially for alcohol oxidation, which typically requires environmentally unfriendly oxidants. Here, we report a new plasmonic catalyst of Au supported on BiOCl containing oxygen vacancies. It photocatalyzes selective benzyl alcohol oxidation with O2 under visible light through synergistic action of plasmonic hot electrons and holes. Oxygen vacancies on BiOCl facilitate the trapping and transfer of plasmonic hot electrons to adsorbed O2, producing •O2(‒) radicals, while plasmonic hot holes remaining on the Au surface mildly oxidize benzyl alcohol to corresponding carbon-centered radicals...
February 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28211682/exploring-the-influence-of-diamagnetic-ions-on-the-mechanism-of-magnetization-relaxation-in-co-iii-2ln-iii-2-ln-dy-tb-ho-butterfly-complexes
#10
Kuduva R Vignesh, Stuart K Langley, Keith S Murray, Gopalan Rajaraman
The synthesis and magnetic and theoretical studies of three isostructural heterometallic [Co(III)2Ln(III)2(μ3-OH)2(o-tol)4(mdea)2(NO3)2] (Ln = Dy (1), Tb (2), Ho (3)) "butterfly" complexes are reported (o-tol = o-toluate, (mdea)(2-) = doubly deprotonated N-methyldiethanolamine). The Co(III) ions are diamagnetic in these complexes. Analysis of the dc magnetic susceptibility measurements reveal antiferromagnetic exchange coupling between the two Ln(III) ions for all three complexes. ac magnetic susceptibility measurements reveal single-molecule magnet (SMM) behavior for complex 1, in the absence of an external magnetic field, with an anisotropy barrier Ueff of 81...
February 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28211680/two-way-gold-nanoparticle-label-free-sensing-of-specific-sequence-and-small-molecule-targets-using-switchable-concatemers
#11
Longjiao Zhu, Xiangli Shao, Yunbo Luo, Kunlun Huang, Wentao Xu
A two-way colorimetric biosensor based on unmodified gold nanoparticles (GNPs) and a switchable double-stranded DNA (dsDNA) concatemer have been demonstrated. Two hairpin probes (H1&H2) were first designed that provided the fuels to assemble the dsDNA concatemers via hybridization chain reaction (HCR). A functional hairpin (FH) was rationally designed to recognize the target sequences. All the hairpins contained single-stranded DNA (ssDNA) loop and sticky-ends to prevent GNPs from salt-induced aggregation. In the presence of target sequence, the capture probe blocked in the FH recognizes the target to form a duplex DNA, which causes the release of the initiator probe by FH conformational change...
February 17, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/28211551/eating-habits-and-the-risk-of-cardiovascular-disease-in-patients-with-recurrent-depressive-disorders
#12
Ewa Stefańska, Agnieszka Wendołowicz, Urszula Cwalina, Beata Konarzewska, Napoleon Waszkiewicz, Lucyna Ostrowska
OBJECTIVES: The aim of the research was to assess the fatty acid content and atherogenicity of daily food rations in patients with recurrent depressive disorders in the aspect of risk of developing cardiovascular disease. METHODS: The study included 126 persons (62 persons with diagnosed recurrent depressive disorders and 64 healthy volunteers). A 24-hour recall was used in the quantitative assessment of the diet. Anthropometric and chemical measurements as well as body composition analysis were used to assess the nutritional status...
December 23, 2016: Psychiatria Polska
https://www.readbyqxmd.com/read/28211525/focus-on-pna-flexibility-and-rna-binding-using-molecular-dynamics-and-metadynamics
#13
Massimiliano Donato Verona, Vincenzo Verdolino, Ferruccio Palazzesi, Roberto Corradini
Peptide Nucleic Acids (PNAs) can efficiently target DNA or RNA acting as chemical tools for gene regulation. Their backbone modification and functionalization is often used to increase the affinity for a particular sequence improving selectivity. The understanding of the trading forces that lead the single strand PNA to bind the DNA or RNA sequence is preparatory for any further rational design, but a clear and unique description of this process is still not complete. In this paper we report further insights into this subject, by a computational investigation aiming at the characterization of the conformations of a single strand PNA and how these can be correlated to its capability in binding DNA/RNA...
February 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28211456/learning-from-data-to-design-functional-materials-without-inversion-symmetry
#14
Prasanna V Balachandran, Joshua Young, Turab Lookman, James M Rondinelli
Accelerating the search for functional materials is a challenging problem. Here we develop an informatics-guided ab initio approach to accelerate the design and discovery of noncentrosymmetric materials. The workflow integrates group theory, informatics and density-functional theory to uncover design guidelines for predicting noncentrosymmetric compounds, which we apply to layered Ruddlesden-Popper oxides. Group theory identifies how configurations of oxygen octahedral rotation patterns, ordered cation arrangements and their interplay break inversion symmetry, while informatics tools learn from available data to select candidate compositions that fulfil the group-theoretical postulates...
February 17, 2017: Nature Communications
https://www.readbyqxmd.com/read/28211109/conformational-space-of-a-polyphilic-molecule-with-a-fluorophilic-side-chain-integrated-in-a-dppc-bilayer
#15
Guido F von Rudorff, Tobias Watermann, Xiang-Yang Guo, Daniel Sebastiani
We investigate the conformational space of a polyphilic molecule with hydrophilic, lipophilic and fluorophilic parts inserted as a transmembrane agent into a dipalmitoylphosphatidylcholine bilayer by means of all-atom molecular dynamics simulations. Special focus is put on the competing structural driving forces arising from the hydrophilic, lipophilic and fluorophilic side chains and the aromatic backbone of the polyphile. We observe a significant difference between the lipophilic and the fluorophilic side chains regarding their intramembrane distribution...
April 5, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28210999/computational-cognitive-modeling-of-the-temporal-dynamics-of-fatigue-from-sleep-loss
#16
Matthew M Walsh, Glenn Gunzelmann, Hans P A Van Dongen
Computational models have become common tools in psychology. They provide quantitative instantiations of theories that seek to explain the functioning of the human mind. In this paper, we focus on identifying deep theoretical similarities between two very different models. Both models are concerned with how fatigue from sleep loss impacts cognitive processing. The first is based on the diffusion model and posits that fatigue decreases the drift rate of the diffusion process. The second is based on the Adaptive Control of Thought - Rational (ACT-R) cognitive architecture and posits that fatigue decreases the utility of candidate actions leading to microlapses in cognitive processing...
February 16, 2017: Psychonomic Bulletin & Review
https://www.readbyqxmd.com/read/28210864/pharmacy-benefit-management-companies-do-they-create-value-in-the-us-healthcare-system
#17
Alan Lyles
Pharmacy benefit management companies (PBMs) perform functions in the US market-based healthcare system that may be performed by public agencies or quasi-public institutions in other nations. By aggregating lives covered under their many individual contracts with payers, PBMs have formidable negotiating power. They influence pharmaceutical insurance coverage, design the terms of coverage in a plan's drug benefit, and create competition among providers for inclusion in a plan's network. PBMs have, through intermediation, the potential to secure lower drug prices and to improve rational prescribing...
February 16, 2017: PharmacoEconomics
https://www.readbyqxmd.com/read/28210763/artemisinin-and-its-derivatives-in-cancer-therapy-status-of-progress-mechanism-of-action-and-future-perspectives
#18
REVIEW
Archana Bhaw-Luximon, Dhanjay Jhurry
Since the late 1990s, there has been rapid multiplication of data on the anti-cancer properties of artemisinins. This article reviews the status of progress of artemisinin and its derivatives as anti-cancer agents in clinical trials, case reports, and in vitro/in vivo studies. Particular attention is laid on the combinations of artemisinins and synthetic chemodrugs to enhance the latter's efficacy. An attempt is here made to rationalize the synergistic effects of a few common anti-cancer drugs of the anthracycline, taxane, anti-metabolite, and platinum-based drug families...
February 16, 2017: Cancer Chemotherapy and Pharmacology
https://www.readbyqxmd.com/read/28210734/ceria-based-model-catalysts-fundamental-studies-on-the-importance-of-the-metal-ceria-interface-in-co-oxidation-the-water-gas-shift-co2-hydrogenation-and-methane-and-alcohol-reforming
#19
REVIEW
José A Rodriguez, David C Grinter, Zongyuan Liu, Robert M Palomino, Sanjaya D Senanayake
Model metal/ceria and ceria/metal catalysts have been shown to be excellent systems for studying fundamental phenomena linked to the operation of technical catalysts. In the last fifteen years, many combinations of well-defined systems involving different kinds of metals and ceria have been prepared and characterized using the modern techniques of surface science. So far most of the catalytic studies have been centered on a few reactions: CO oxidation, the hydrogenation of CO2, and the production of hydrogen through the water-gas shift reaction and the reforming of methane or alcohols...
February 17, 2017: Chemical Society Reviews
https://www.readbyqxmd.com/read/28210724/ordering-kinetics-of-lamella-forming-block-copolymers-under-the-guidance-of-various-external-fields-studied-by-dynamic-self-consistent-field-theory
#20
Xiaomin Wan, Tong Gao, Liangshun Zhang, Jiaping Lin
Self-consistent field theory with a dynamic extension is exploited to investigate the kinetics of the lamellar formation of symmetric block copolymers under the direction of external fields. In particular, three types of directed self-assembly methods - a permanent field for chemo-epitaxy, a dynamic field for zone annealing and an integrated permanent/dynamic field - are examined. For the chemo-epitaxy involving sparsely prepatterned substrates or zone annealing, the block copolymers generally develop into polycrystalline nanostructures with multiple orientations due to the lack of strong driving forces for eliminating the long-lived imperfections in a limited time...
February 17, 2017: Physical Chemistry Chemical Physics: PCCP
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