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https://www.readbyqxmd.com/read/27412961/structure-of-purotoxin-2-from-wolf-spider-modular-design-and-membrane-assisted-mode-of-action-in-arachnid-toxins
#1
Peter B Oparin, Kirill D Nadezhdin, Antonina A Berkut, Alexander S Arseniev, Eugene V Grishin, Alexander A Vassilevski
Traditionally, arachnid venoms are known to contain two particularly important groups of peptide toxins. One is disulfide-rich neurotoxins with a predominance of β-structure that specifically target protein receptors in neurons or muscle cells. The other is linear cationic cytotoxins that form amphiphilic α-helices and exhibit rather non-specific membrane-damaging activity. In the present paper, we describe the first 3D structure of a modular arachnid toxin, purotoxin-2 (PT2) from the wolf spider Alopecosa marikovskyi (Lycosidae), studied by NMR spectroscopy...
October 1, 2016: Biochemical Journal
https://www.readbyqxmd.com/read/26378813/molecular-dynamics-study-of-the-structure-flexibility-and-hydrophilicity-of-petim-dendrimers-a-comparison-with-pamam-dendrimers
#2
Subbarao Kanchi, Gorle Suresh, U Deva Priyakumar, K G Ayappa, Prabal K Maiti
A new class of dendrimers, the poly(propyl ether imine) (PETIM) dendrimer, has been shown to be a novel hyperbranched polymer having potential applications as a drug delivery vehicle. Structure and dynamics of the amine terminated PETIM dendrimer and their changes with respect to the dendrimer generation are poorly understood. Since most drugs are hydrophobic in nature, the extent of hydrophobicity of the dendrimer core is related to its drug encapsulation and retention efficacy. In this study, we carry out fully atomistic molecular dynamics (MD) simulations to characterize the structure of PETIM (G2-G6) dendrimers in salt solution as a function of dendrimer generation at different protonation levels...
October 15, 2015: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/26369548/nighttime-kidney-transplantation-is-associated-with-less-pure-technical-graft-failure
#3
Denise M D Özdemir-van Brunschot, Andries J Hoitsma, Michel F P van der Jagt, Frank C d'Ancona, Rogier A R T Donders, Cees J H M van Laarhoven, Luuk B Hilbrands, Michiel C Warlé
PURPOSE: To minimize cold ischemia time, transplantations with kidneys from deceased donors are frequently performed during the night. However, sleep deprivation of those who perform the transplantation may have adverse effects on cognitive and psychomotor performance and may cause reduced cognitive flexibility. We hypothesize that renal transplantations performed during the night are associated with an increased incidence of pure technical graft failure. METHODS: A retrospective analysis of data of the Dutch Organ Transplant Registry concerning all transplants from deceased donors between 2000 and 2013 was performed...
July 2016: World Journal of Urology
https://www.readbyqxmd.com/read/26103997/persistence-of-asthma-following-allergen-avoidance-is-associated-with-proth2-myeloid-dendritic-cell-activation
#4
Antoine Froidure, Olivier Vandenplas, Vinciane D'Alpaos, Geneviève Evrard, Charles Pilette
BACKGROUND: The natural history of asthma includes in some patients periods of disease remission, but the underlying mechanisms are unknown. OBJECTIVES: We explored whether type 1 myeloid dendritic cell (mDC) dysfunction could be involved in the persistence of asthma, studying the controlled setting of occupational asthma after allergen avoidance. METHODS: We recruited 32 patients with occupational asthma to flour or latex ascertained by specific inhalation challenge and who were no longer exposed to the causal allergen...
October 2015: Thorax
https://www.readbyqxmd.com/read/25891406/arm-coordination-in-octopus-crawling-involves-unique-motor-control-strategies
#5
Guy Levy, Tamar Flash, Binyamin Hochner
To cope with the exceptional computational complexity that is involved in the control of its hyper-redundant arms [1], the octopus has adopted unique motor control strategies in which the central brain activates rather autonomous motor programs in the elaborated peripheral nervous system of the arms [2, 3]. How octopuses coordinate their eight long and flexible arms in locomotion is still unknown. Here, we present the first detailed kinematic analysis of octopus arm coordination in crawling. The results are surprising in several respects: (1) despite its bilaterally symmetrical body, the octopus can crawl in any direction relative to its body orientation; (2) body and crawling orientation are monotonically and independently controlled; and (3) contrasting known animal locomotion, octopus crawling lacks any apparent rhythmical patterns in limb coordination, suggesting a unique non-rhythmical output of the octopus central controller...
May 4, 2015: Current Biology: CB
https://www.readbyqxmd.com/read/25764513/flexibility-of-oral-cholera-vaccine-dosing-a-randomized-controlled-trial-measuring-immune-responses-following-alternative-vaccination-schedules-in-a-cholera-hyper-endemic-zone
#6
RANDOMIZED CONTROLLED TRIAL
Suman Kanungo, Sachin N Desai, Ranjan Kumar Nandy, Mihir Kumar Bhattacharya, Deok Ryun Kim, Anuradha Sinha, Tanmay Mahapatra, Jae Seung Yang, Anna Lena Lopez, Byomkesh Manna, Barnali Bannerjee, Mohammad Ali, Mandeep Singh Dhingra, Ananga Mohan Chandra, John D Clemens, Dipika Sur, Thomas F Wierzba
BACKGROUND: A bivalent killed whole cell oral cholera vaccine has been found to be safe and efficacious for five years in the cholera endemic setting of Kolkata, India, when given in a two dose schedule, two weeks apart. A randomized controlled trial revealed that the immune response was not significantly increased following the second dose compared to that after the first dose. We aimed to evaluate the impact of an extended four week dosing schedule on vibriocidal response. METHODOLOGY/PRINCIPAL FINDINGS: In this double blind randomized controlled non-inferiority trial, 356 Indian, non-pregnant residents aged 1 year or older were randomized to receive two doses of oral cholera vaccine at 14 and 28 day intervals...
March 2015: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/25764470/diet-shapes-the-gut-microbiota-of-the-omnivorous-cockroach-blattella-germanica
#7
Ana Elena Pérez-Cobas, Elisa Maiques, Alexandra Angelova, Purificación Carrasco, Andrés Moya, Amparo Latorre
The gut microbiota of insects contributes positively to the physiology of its host mainly by participating in food digestion, protecting against pathogens, or provisioning vitamins or amino acids, but the dynamics of this complex ecosystem is not well understood so far. In this study, we have characterized the gut microbiota of the omnivorous cockroach Blattella germanica by pyrosequencing the hypervariable regions V1-V3 of the 16S rRNA gene of the whole bacterial community. Three diets differing in the protein content (0, 24 and 50%) were tested at two time points in lab-reared individuals...
April 2015: FEMS Microbiology Ecology
https://www.readbyqxmd.com/read/25643048/ultra-fast-escape-maneuver-of-an-octopus-inspired-robot
#8
G D Weymouth, V Subramaniam, M S Triantafyllou
We design and test an octopus-inspired flexible hull robot that demonstrates outstanding fast-starting performance. The robot is hyper-inflated with water, and then rapidly deflates to expel the fluid so as to power the escape maneuver. Using this robot we verify for the first time in laboratory testing that rapid size-change can substantially reduce separation in bluff bodies traveling several body lengths, and recover fluid energy which can be employed to improve the propulsive performance. The robot is found to experience speeds over ten body lengths per second, exceeding that of a similarly propelled optimally streamlined rigid rocket...
2015: Bioinspiration & Biomimetics
https://www.readbyqxmd.com/read/25571492/hyper-and-viscoelastic-modeling-of-needle-and-brain-tissue-interaction
#9
Craig A Lehocky, Yixing Shi, Cameron N Riviere
Deep needle insertion into brain is important for both diagnostic and therapeutic clinical interventions. We have developed an automated system for robotically steering flexible needles within the brain to improve targeting accuracy. In this work, we have developed a finite element needle-tissue interaction model that allows for the investigation of safe parameters for needle steering. The tissue model implemented contains both hyperelastic and viscoelastic properties to simulate the instantaneous and time-dependent responses of brain tissue...
2014: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/25544388/rational-design-of-hyper-glycosylated-interferon-beta-analogs-a-computational-strategy-for-glycoengineering
#10
Mojtaba Samoudi, Fatemeh Tabandeh, Zarrin Minuchehr, Reza Ahangari Cohan, Davoud Nouri Inanlou, Mahvash Khodabandeh, Mohammad Sabery Anvar
Glycoengineering has been successfully used to improve the physicochemical and pharmaceutical properties of therapeutics. One aspect of glycoengineering is to introduce new N-linked glycosylation consensus sequences (Asn, X, Thr/Ser) into desirable positions in the peptide backbone by mutational insertion to generate proteins with increased sialic acid content. In the current work, human interferon beta (huIFN-β) was used as a model to identify the potential positions for the addition of new N-glycosylation sites...
March 2015: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/25379961/interplay-of-the-bacterial-ribosomal-a-site-s12-protein-mutations-and-paromomycin-binding-a-molecular-dynamics-study
#11
Joanna Panecka, Cameron Mura, Joanna Trylska
The conformational properties of the aminoacyl-tRNA binding site (A-site), and its surroundings in the Escherichia coli 30S ribosomal subunit, are of great relevance in designing antibacterial agents. The 30S subunit A-site is near ribosomal protein S12, which neighbors helices h27 and H69; this latter helix, of the 50S subunit, is a functionally important component of an intersubunit bridge. Experimental work has shown that specific point mutations in S12 (K42A, R53A) yield hyper-accurate ribosomes, which in turn confers resistance to the antibiotic 'paromomycin' (even when this aminoglycoside is bound to the A-site)...
2014: PloS One
https://www.readbyqxmd.com/read/25363335/effect-of-a-buried-ion-pair-in-the-hydrophobic-core-of-a-protein-an-insight-from-constant-ph-molecular-dynamics-study
#12
Arup K Pathak
Constant pH molecular dynamics (CpHMD) is a commonly used sampling method, which incorporates the coupling of conformational flexibility and protonation state of a protein during the simulation by using pH as an external parameter. The effects on the structure and stability of a hyperstable variant of staphylococcal nuclease (Δ+PHS) protein of an artificial charge pair buried in its hydrophobic core are investigated by applying both CpHMD and accelerated molecular dynamics coupled with constant pH (CpHaMD) methods...
March 2015: Biopolymers
https://www.readbyqxmd.com/read/25326437/in-vitro-biomechanical-evaluation-of-single-impulse-and-repetitive-mechanical-shockwave-devices-utilized-for-spinal-manipulative-therapy
#13
Michael A K Liebschner, Kwonsoo Chun, Namhoon Kim, Bruce Ehni
Mechanical shockwave therapy devices have been in clinical use for almost 40 years. While most often used to treat back pain, our understanding of their biomechanical performance is very limited. From biomechanical studies we know that biological tissue is viscoelastic and preferably excited around its resonance frequency. Targeting these frequencies has been the focus in extracorporeal shock wave lithotripsy, but these concepts are relatively new in orthopedic and rehabilitation therapies. The exact mechanism by which shockwave therapy acts is not known...
December 2014: Annals of Biomedical Engineering
https://www.readbyqxmd.com/read/25187680/molecular-docking-of-1h-pyrazole-derivatives-to-receptor-tyrosine-kinase-and-protein-kinase-for-screening-potential-inhibitors
#14
Chandra, Vishalakshi Gopalapura Javaregowda, Beeranahally Haruvegowda Doreswamy, Srikantamurthy Ningaiah, Umesha K Bhadraiah, Kempaiah Kemparaju, Mahendra Madegowda
Tyrosine kinase receptor and protein kinases drawn much attention for the scientific fraternity in drug discovery due to its important role in different cancer, cardiovascular diseases and other hyper-proliferative disorders. Docking studies of pyrazole derivatives with tyrosine kinase and different serine/threonine protein kinases were employed by using flexible ligand docking approach of AutoDock 4.2. Among the molecules tested for docking study, 2-(4-chlorophenyl)-5-(3-(4-chlorophenyl)-5-methyl-1- phenyl-1H-pyrazol-4-yl)-1,3,4-thiadiazole (1b), 2-(4-methoxyphenyl)-5-(3-(4-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazol-4-yl)- 1,3,4-thiadiazole (1d) and 2-(4-chlorophenyl)-5-(3-(4-chlorophenyl)-5-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3,4-thiadiazole (2b) revealed minimum binding energy of -10...
2014: Bioinformation
https://www.readbyqxmd.com/read/25155596/respiratory-flexibility-in-response-to-inhibition-of-cytochrome-c-oxidase-in-mycobacterium-tuberculosis
#15
Kriti Arora, Bernardo Ochoa-Montaño, Patricia S Tsang, Tom L Blundell, Stephanie S Dawes, Valerie Mizrahi, Tracy Bayliss, Claire J Mackenzie, Laura A T Cleghorn, Peter C Ray, Paul G Wyatt, Eugene Uh, Jinwoo Lee, Clifton E Barry, Helena I Boshoff
We report here a series of five chemically diverse scaffolds that have in vitro activities on replicating and hypoxic nonreplicating bacilli by targeting the respiratory bc1 complex in Mycobacterium tuberculosis in a strain-dependent manner. Deletion of the cytochrome bd oxidase generated a hypersusceptible mutant in which resistance was acquired by a mutation in qcrB. These results highlight the promiscuity of the bc1 complex and the risk of targeting energy metabolism with new drugs.
November 2014: Antimicrobial Agents and Chemotherapy
https://www.readbyqxmd.com/read/25106715/a-novel-flexible-hyper-redundant-surgical-robot-prototype-evaluation-using-a-single-incision-flexible-access-pelvic-application-as-a-clinical-exemplar
#16
James Clark, David P Noonan, Valentina Vitiello, Mikael H Sodergren, Jianzhong Shang, Christopher J Payne, Thomas P Cundy, Guang-Zhong Yang, Ara Darzi
INTRODUCTION: The flexible endoscope is increasingly being considered as a surgical tool to enable innovative natural orifice or flexible access techniques. These experiences have exposed unique advantages but also significant challenges. Major current technical drawbacks in this setting relate to uncontrolled flexibility, inaccurate sustained target localization, unreliable navigation and overall platform instability. In striving to address existing technical limitations, this paper introduces a novel flexible hyper-redundant surgical robot and evaluates its clinical potential using a focused clinical application...
March 2015: Surgical Endoscopy
https://www.readbyqxmd.com/read/25095254/flexible-image-similarity-computation-using-hyper-spatial-matching
#17
Yu Zhang, Jianxin Wu, Jianfei Cai, Weiyao Lin
Spatial pyramid matching (SPM) has been widely used to compute the similarity of two images in computer vision and image processing. While comparing images, SPM implicitly assumes that: in two images from the same category, similar objects will appear in similar locations. However, this is not always the case. In this paper, we propose hyper-spatial matching (HSM), a more flexible image similarity computing method, to alleviate the mis-matching problem in SPM. Besides the match between corresponding regions, HSM considers the relationship of all spatial pairs in two images, which includes more meaningful match than SPM...
July 30, 2014: IEEE Transactions on Image Processing: a Publication of the IEEE Signal Processing Society
https://www.readbyqxmd.com/read/25093599/colour-or-shape-examination-of-neural-processes-underlying-mental-flexibility-in-posttraumatic-stress-disorder
#18
E W Pang, P Sedge, R Grodecki, A Robertson, M J MacDonald, R Jetly, P N Shek, M J Taylor
Posttraumatic stress disorder (PTSD) is a mental disorder that stems from exposure to one or more traumatic events. While PTSD is thought to result from a dysregulation of emotional neurocircuitry, neurocognitive difficulties are frequently reported. Mental flexibility is a core executive function that involves the ability to shift and adapt to new information. It is essential for appropriate social-cognitive behaviours. Magnetoencephalography (MEG), a neuroimaging modality with high spatial and temporal resolution, has been used to track the progression of brain activation during tasks of mental flexibility called set-shifting...
2014: Translational Psychiatry
https://www.readbyqxmd.com/read/25084959/adsorption-of-block-copolymers-on-solid-surfaces-a-monte-carlo-study
#19
Edyta Słyk, Wojciech Rżysko, Paweł Bryk
Using hyper-parallel tempering Monte Carlo simulation, multiple histogram reweighting method, and finite size scaling, we investigate the adsorption of fully flexible and rod-coil chains on the square lattice. We find that the phase behaviour changes with the chain length and flexibility. For homonuclear rod-coil chains, the phase diagram consists of only gas-disorder liquid critical point. Weakening of the interaction energy between the segments belonging to two different subunits gives rise to an order-disorder transition...
July 28, 2014: Journal of Chemical Physics
https://www.readbyqxmd.com/read/25071534/rigidity-chaos-and-integration-hemispheric-interaction-and-individual-differences-in-metaphor-comprehension
#20
Miriam Faust, Yoed N Kenett
Neurotypical individuals cope flexibly with the full range of semantic relations expressed in human language, including metaphoric relations. This impressive semantic ability may be associated with distinct and flexible patterns of hemispheric interaction, including higher right hemisphere (RH) involvement for processing novel metaphors. However, this ability may be impaired in specific clinical conditions, such as Asperger syndrome (AS) and schizophrenia. The impaired semantic processing is accompanied by different patterns of hemispheric interaction during semantic processing, showing either reduced (in Asperger syndrome) or excessive (in schizophrenia) RH involvement...
2014: Frontiers in Human Neuroscience
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