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Biased molecules

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https://www.readbyqxmd.com/read/28516911/electrostatic-melting-in-a-single-molecule-field-effect-transistor-with-applications-in-genomic-identification
#1
Sefi Vernick, Scott M Trocchia, Steven B Warren, Erik F Young, Delphine Bouilly, Ruben L Gonzalez, Colin Nuckolls, Kenneth L Shepard
The study of biomolecular interactions at the single-molecule level holds great potential for both basic science and biotechnology applications. Single-molecule studies often rely on fluorescence-based reporting, with signal levels limited by photon emission from single optical reporters. The point-functionalized carbon nanotube transistor, known as the single-molecule field-effect transistor, is a bioelectronics alternative based on intrinsic molecular charge that offers significantly higher signal levels for detection...
May 18, 2017: Nature Communications
https://www.readbyqxmd.com/read/28513712/charge-transport-in-c60-based-single-molecule-junctions-with-graphene-electrodes
#2
Susanne Leitherer, Pedro B Coto, Konrad Ullmann, Heiko B Weber, Michael Thoss
We investigate charge transport in C60-based single-molecule junctions with graphene electrodes employing a combination of density functional theory (DFT) electronic structure calculations and Landauer transport theory. In particular, the dependence of the transport properties on the conformation of the molecular bridge and the type of termination of the graphene electrodes is investigated. Furthermore, electron pathways through the junctions are analyzed using the theory of local currents. The results reveal, in agreement with previous experiments, a pronounced dependence of the transport properties on the bias polarity, which is rationalized in terms of the electronic structure of the molecule...
May 17, 2017: Nanoscale
https://www.readbyqxmd.com/read/28511989/biased-agonism-antagonism-at-the-angii-at1-receptor-implications-for-adrenal-aldosterone-production-and-cardiovascular-therapy
#3
REVIEW
Jennifer Maning, Shmuel Negussie, Michelle A Clark, Anastasios Lymperopoulos
Many of the effects of angiotensin II (AngII), including adrenocortical aldosterone release, are mediated by the AngII type 1 receptor (AT1R), a receptor with essential roles in cardiovascular homeostasis. AT1R belongs to the G protein-coupled receptor (GPCR) superfamily, mainly coupling to the Gq/11 type of G proteins. However, it also signals through βarrestins, oftentimes in parallel to eliciting G protein-dependent signaling. This has spurred infinite possibilities for cardiovascular pharmacology, since various beneficial effects are purportedly exerted by AT1R via βarrestins, unlike AT1R-induced G protein-mediated pathways that usually result in damaging cardiovascular effects, including hypertension and aldosterone elevation...
May 13, 2017: Pharmacological Research: the Official Journal of the Italian Pharmacological Society
https://www.readbyqxmd.com/read/28510212/supercoiling-biases-the-formation-of-loops-involved-in-gene-regulation
#4
REVIEW
Laura Finzi, David Dunlap
The function of DNA as a repository of genetic information is well-known. The post-genomic effort is to understand how this information-containing filament is chaperoned to manage its compaction and topological states. Indeed, the activities of enzymes that transcribe, replicate, or repair DNA are regulated to a large degree by access. Proteins that act at a distance along the filament by binding at one site and contacting another site, perhaps as part of a bigger complex, create loops that constitute topological domains and influence regulation...
November 2016: Biophysical Reviews
https://www.readbyqxmd.com/read/28506231/optogenetic-interrogation-reveals-separable-g-protein-dependent-and-independent-signalling-linking-g-protein-coupled-receptors-to-the-circadian-oscillator
#5
Helena J Bailes, Nina Milosavljevic, Ling-Yu Zhuang, Elliot J Gerrard, Tomoki Nishiguchi, Takeaki Ozawa, Robert J Lucas
BACKGROUND: Endogenous circadian oscillators distributed across the mammalian body are synchronised among themselves and with external time via a variety of signalling molecules, some of which interact with G-protein-coupled receptors (GPCRs). GPCRs can regulate cell physiology via pathways originating with heterotrimeric G-proteins or β-arrestins. We applied an optogenetic approach to determine the contribution of these two signalling modes on circadian phase. RESULTS: We employed a photopigment (JellyOp) that activates Gαs signalling with better selectivity and higher sensitivity than available alternatives, and a point mutant of this pigment (F112A) biased towards β-arrestin signalling...
May 15, 2017: BMC Biology
https://www.readbyqxmd.com/read/28498652/mechanically-controlled-reversible-spin-crossover-of-single-fe-porphyrin-molecules
#6
Guowen Kuang, Qiushi Zhang, Tao Lin, Rui Pang, Xingqiang Shi, Hu Xu, Nian Lin
Spin-crossover (SCO) molecules are thought to be ideal systems for molecular spintronics when SCO can be precisely controlled at the single-molecule level. This is demonstrated here in the single-molecule junctions of Fe-porphyrin formed in a scanning tunneling microscope. Experimentally, we find that the junctions feature a zero-bias resonance in molecular conductance associated with the Fe spin center. When mechanically stretching or squeezing the junctions by adjusting the tip height, the lineshape of the zero-bias resonance varies reversibly...
May 12, 2017: ACS Nano
https://www.readbyqxmd.com/read/28481462/biologics-or-tofacitinib-for-people-with-rheumatoid-arthritis-naive-to-methotrexate-a-systematic-review-and-network-meta-analysis
#7
REVIEW
Jasvinder A Singh, Alomgir Hossain, Amy S Mudano, Elizabeth Tanjong Ghogomu, Maria E Suarez-Almazor, Rachelle Buchbinder, Lara J Maxwell, Peter Tugwell, George A Wells
BACKGROUND: Biologic disease-modifying anti-rheumatic drugs (biologics) are highly effective in treating rheumatoid arthritis (RA), however there are few head-to-head biologic comparison studies. We performed a systematic review, a standard meta-analysis and a network meta-analysis (NMA) to update the 2009 Cochrane Overview. This review is focused on the adults with RA who are naive to methotrexate (MTX) that is, receiving their first disease-modifying agent. OBJECTIVES: To compare the benefits and harms of biologics (abatacept, adalimumab, anakinra, certolizumab pegol, etanercept, golimumab, infliximab, rituximab, tocilizumab) and small molecule tofacitinib versus comparator (methotrexate (MTX)/other DMARDs) in people with RA who are naive to methotrexate...
May 8, 2017: Cochrane Database of Systematic Reviews
https://www.readbyqxmd.com/read/28476239/defective-il-4-signaling-in-t-cells-defines-severe-common-variable-immunodeficiency
#8
Eli Taraldsrud, Børre Fevang, Silje F Jørgensen, Kristine Moltu, Vera Hilden, Kjetil Taskén, Pål Aukrust, June H Myklebust, Johanna Olweus
Common variable immunodeficiency (CVID) is defined by hypogammaglobulinemia and B-cell dysfunction, with significant clinical and immunological heterogeneity. Severe non-infectious complications, such as autoimmunity, granulomatous disease and splenomegaly, constitute a major cause of morbidity in CVID patients. T cells are generally regarded important for development of these clinical features. However, while T-cell abnormalities have been found in CVID patients, functional characteristics of T cells corresponding to well-defined clinical subtypes have not been identified...
May 2, 2017: Journal of Autoimmunity
https://www.readbyqxmd.com/read/28467912/plexin-b2-and-semaphorin-4c-guide-t-cell-recruitment-and-function-in-the-germinal-center
#9
Hu Yan, Longyan Wu, Changming Shih, Shiyue Hou, Jingwen Shi, Tianyang Mao, Wenbin Chen, Bhavani Melvin, Robert J Rigby, Yingjia Chen, Haochen Jiang, Roland H Friedel, Carola G Vinuesa, Hai Qi
Follicular T helper (TFH) cells orchestrate the germinal center (GC) response locally. TFH localization in GCs is controlled by chemo-guidance cues and antigen-specific adhesion. Here. we define an antigen-independent, contact-dependent, adhesive guidance system for TFH cells. Unusual for amoeboid cell migration, the system is composed of transmembrane plexin B2 (PlxnB2) molecule, which is highly expressed by GC B cells, and its transmembrane binding partner semaphorin 4C (Sema4C), which is upregulated on TFH cells...
May 2, 2017: Cell Reports
https://www.readbyqxmd.com/read/28463230/cd1b-autoreactive-t-cells-contribute-to-hyperlipidemia-induced-skin-inflammation-in-mice
#10
Sreya Bagchi, Ying He, Hong Zhang, Liang Cao, Ildiko Van Rhijn, D Branch Moody, Johann E Gudjonsson, Chyung-Ru Wang
A large proportion of human T cells are autoreactive to group 1 CD1 proteins, which include CD1a, CD1b, and CD1c. However, the physiological role of the CD1 proteins remains poorly defined. Here, we have generated a double-transgenic mouse model that expresses human CD1b and CD1c molecules (hCD1Tg) as well as a CD1b-autoreactive TCR (HJ1Tg) in the ApoE-deficient background (hCD1Tg HJ1Tg Apoe-/- mice) to determine the role of CD1-autoreactive T cells in hyperlipidemia-associated inflammatory diseases. We found that hCD1Tg HJ1Tg Apoe-/- mice spontaneously developed psoriasiform skin inflammation characterized by T cell and neutrophil infiltration and a Th17-biased cytokine response...
May 2, 2017: Journal of Clinical Investigation
https://www.readbyqxmd.com/read/28460160/serotonergic-approaches-in-parkinson-s-disease-translational-perspectives-an-update
#11
Philippe Huot, Véronique Sgambato-Faure, Susan H Fox, Andrew C McCreary
Parkinson's disease (PD) has long been seen as a disorder caused by degeneration of the dopaminergic system, leading to the classic motor manifestations of the disease. However, there is now overwhelming evidence that PD is more than a disease merely caused by dopamine depletion. It is well-known that a myriad of other neurotransmitters are affected by the disease process. One such neurotransmitter is serotonin (5-HT). 5-HT has been shown to play a role in several motor and nonmotor manifestations of PD, including tremor, cognition, depression and psychosis...
May 5, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28459878/a-hybrid-deconvolution-approach-for-estimation-of-in-vivo-non-displaceable-binding-for-brain-pet-targets-without-a-reference-region
#12
Francesca Zanderigo, J John Mann, R Todd Ogden
BACKGROUND AND AIM: Estimation of a PET tracer's non-displaceable distribution volume (VND) is required for quantification of specific binding to its target of interest. VND is generally assumed to be comparable brain-wide and is determined either from a reference region devoid of the target, often not available for many tracers and targets, or by imaging each subject before and after blocking the target with another molecule that has high affinity for the target, which is cumbersome and involves additional radiation exposure...
2017: PloS One
https://www.readbyqxmd.com/read/28457138/near-perfect-spin-filtering-and-negative-differential-resistance-in-an-fe-ii-s-complex
#13
Sherif Abdulkader Tawfik, Leigh Weston, X Y Cui, S P Ringer, C Stampfl
Density functional theory and nonequilibrium Green's function calculations have been used to explore spin-resolved transport through the high-spin state of an iron(II)sulfur single molecular magnet. Our results show that this molecule exhibits near-perfect spin filtering, where the spin-filtering efficiency is above 99%, as well as significant negative differential resistance centered at a low bias voltage. The rise in the spin-up conductivity up to the bias voltage of 0.4 V is dominated by a conductive lowest unoccupied molecular orbital, and this is accompanied by a slight increase in the magnetic moment of the Fe atom...
May 4, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28456209/spin-polarized-transport-through-a-quantum-ring-with-an-embedded-protein-like-single-helical-molecule
#14
Xiao Wang, Hai-Na Wu, Wei-Jiang Gong
We investigate the spin-polarized electron transport through a quantum ring whose arms are embedded by one protein-like single-helical molecule and one quantum dot, respectively. It is found that the inter-arm quantum interference leads to the enhancement of the spin polarization in this structure. Moreover, when local magnetic flux is applied through the ring, the spin polarization in the electron transport process, including the polarization strength and direction, can be further adjusted. Next in the finite-bias case, the spin polarization is also apparent and can be tuned by changing the magnetic flux or the dot level...
April 28, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28453914/the-shape-of-things-to-come-the-formation-of-modulated-nematic-mesophases-at-various-length-scales
#15
Richard J Mandle
The twist-bend nematic phase is a recently discovered liquid-crystalline phase that exhibits macroscopic chirality even when formed from achiral materials, and as such presents a unique testbed for studies concerning the spontaneous breaking of mirror symmetry in soft matter. It is primarily exhibited by materials whose molecular structure is composed of two rigid aromatic units (such as biphenyl connected by a flexible spacer). The local structure of the NTB phase is nematic-like - with molecules having an average orientational order but no positional order - with a nanoscale helix where the pitch is of the order of several nanometres...
April 28, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28453853/single-molecule-sequencing-revealing-the-presence-of-distinct-jc-polyomavirus-populations-in-patients-with-progressive-multifocal-leukoencephalopathy
#16
Hanna Seppälä, Elina Virtanen, Mika Saarela, Pia Laine, Lars Paulín, Laura Mannonen, Petri Auvinen, Eeva Auvinen
Background.: Progressive multifocal leukoencephalopathy (PML) is a fatal disease caused by reactivation of JC polyomavirus (JCPyV) in immunosuppressed individuals and lytic infection by neurotropic JCPyV in glial cells. The exact content of neurotropic mutations within individual JCPyV strains has not been studied to our knowledge. Methods.: We exploited the capacity of single-molecule real-time sequencing technology to determine the sequence of complete JCPyV genomes in single reads...
March 15, 2017: Journal of Infectious Diseases
https://www.readbyqxmd.com/read/28451258/exchange-bias-quantum-tunnelling-in-a-co2-based-dy4-single-molecule-magnet
#17
Eufemio Moreno Pineda, Yanhua Lan, Olaf Fuhr, Wolfgang Wernsdorfer, Mario Ruben
Carbamate formation in green-plants through the RuBisCO enzyme continuously plays a pivotal role in the conversion of CO2 from the atmosphere into biomass. With this in mind, carbamate formation from CO2 by a lanthanide source in the presence of a secondary amine is herein explored leading to a lanthanide-carbamate cage with the formula [Dy4(O2CN(i)Pr2)12]. Magnetic studies show slow relaxation leading to the observation of hysteresis loops; the tetranuclear cage being a single molecule magnet. Detailed interpretation of the data reveals: (i) the presence of two different exchange interactions, ferromagnetic and antiferromagnetic and (ii) the observation of exchange-bias quantum tunnelling with two distinct sets of loops, attributable to ferromagnetic interactions between dysprosium ions at longer distances and antiferromagnetic exchange between dysprosium ions at shorter distances...
February 1, 2017: Chemical Science
https://www.readbyqxmd.com/read/28445749/equilibrium-ensembles-for-insulin-folding-from-bias-exchange-metadynamics
#18
Richa Singh, Rohit Bansal, Anurag Singh Rathore, Gaurav Goel
Earliest events in the aggregation process, such as single molecule reconfiguration, are extremely important and the most difficult to characterize in experiments. To this end, we have used well-tempered bias exchange metadynamics simulations to determine the equilibrium ensembles of an insulin molecule under amyloidogenic conditions of low pH and high temperature. A bin-based clustering method that uses statistics accumulated in bias exchange metadynamics trajectories was employed to construct a detailed thermodynamic and kinetic model of insulin folding...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28440370/structure-of-liquid-water-a-dynamical-mixture-of-tetrahedral-and-ring-and-chain-like-structures
#19
Jinfeng Liu, Xiao He, John Z H Zhang
The nature of the dynamical hydrogen-bond network of liquid water under ambient conditions has challenged both experimental and theoretical researchers for decades and remains a topic of intense debate. In this work, we addressed the structural issue of the hydrogen-bond network of liquid water based on an accurate ab initio molecular dynamics simulation. The present work showed clearly that liquid water is neither accurately described by a static picture of mostly tetrahedral water molecules nor dominated by "ring-and-chain" like structures...
May 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28434824/multiple-pathogen-biomarker-detection-using-an-encoded-bead-array-in-droplet-pcr
#20
Prem Kumar Periyannan Rajeswari, Lovisa M Soderberg, Alia Yacoub, Mikael Leijon, Helene Andersson Svahn, Haakan N Joensson
We present a droplet PCR workflow for detection of multiple pathogen DNA biomarkers using fluorescent color-coded Luminex® beads. This strategy enables encoding of multiple singleplex droplet PCRs using a commercially available bead set of several hundred distinguishable fluorescence codes. This workflow provides scalability beyond the limited number offered by fluorescent detection probes such as TaqMan probes, commonly used in current multiplex droplet PCRs. The workflow was validated for three different Luminex bead sets coupled to target specific capture oligos to detect hybridization of three microorganisms infecting poultry: avian influenza, infectious laryngotracheitis virus and Campylobacter jejuni...
April 20, 2017: Journal of Microbiological Methods
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