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https://www.readbyqxmd.com/read/28231454/zinc-complexes-of-diflunisal-synthesis-characterization-structure-antioxidant-activity-and-in-vitro-and-in-silico-study-of-the-interaction-with-dna-and-albumins
#1
Alketa Tarushi, Chrisoula Kakoulidou, Catherine P Raptopoulou, Vassilis Psycharis, Dimitris P Kessissoglou, Ioanna Zoi, Athanasios N Papadopoulos, George Psomas
From the reaction of ZnCl2 with the non-steroidal anti-inflammatory drug diflunisal (Hdifl), complex [Zn(difl-O)2(MeOH)4], 1 was formed, while in the presence of a N,N'-donor heterocyclic ligand 2,2'-bipyridylamine (bipyam), 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen) and 2,2'-dipyridylketone oxime (Hpko), the complexes [Zn(difl-O,O')2(bipyam)], 2, [Zn(difl-O,O')2(bipy)], 3, [Zn(difl-O,O')2(phen)], 4 and [Zn(difl-O)2(Hpko)2], 5 were isolated, respectively. The complexes were characterized by physicochemical and spectroscopic techniques and the crystal structures of complexes 2, 3 and 5 were determined by X-ray crystallography...
February 12, 2017: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/28229892/safety-and-efficacy-of-opicinumab-in-acute-optic-neuritis-renew-a-randomised-placebo-controlled-phase-2-trial
#2
Diego Cadavid, Laura Balcer, Steven Galetta, Orhan Aktas, Tjalf Ziemssen, Ludo Vanopdenbosch, Jette Frederiksen, Mark Skeen, Glenn J Jaffe, Helmut Butzkueven, Focke Ziemssen, Luca Massacesi, Yi Chai, Lei Xu, Stefanie Freeman
BACKGROUND: The human monoclonal antibody opicinumab (BIIB033, anti-LINGO-1) has shown remyelinating activity in preclinical studies. We therefore assessed the safety and tolerability, and efficacy of opicinumab given soon after a first acute optic neuritis episode. METHODS: This randomised, double-blind, placebo-controlled, phase 2 study (RENEW) was done at 33 sites in Australia, Canada, and Europe in participants (aged 18-55 years) with a first unilateral acute optic neuritis episode within 28 days from study baseline...
March 2017: Lancet Neurology
https://www.readbyqxmd.com/read/28227991/mr-conditional-safety-assessment-of-implanted-medical-devices-advantages-of-computational-human-phantoms
#3
James E Brown, Rui Qiang, Paul J Stadnik, Larry J Stotts, Jeffrey A Von Arx, James E Brown, Rui Qiang, Paul J Stadnik, Larry J Stotts, Jeffrey A Von Arx, Rui Qiang, Paul J Stadnik, Larry J Stotts, Jeffrey A Von Arx, James E Brown
Until recently, patients with active implantable medical devices (AIMDs) have been contraindicated for magnetic resonance imaging (MRI). Current efforts to demonstrate safety of these devices separate the interaction of the device and MRI into several hazards. For several of these hazards, computational human phantoms (CHPs) are used to provide conservative conditions for a risk-based analysis. This use of CHPs for the identification of conservative conditions provides a substantial benefit to the assessment of MR conditional safety over experimental techniques, as the evaluation of millions of test cases is possible in simulation, but impractical (due to economic constraints) and, in some cases, unethical for an experimental effort...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227866/modelling-nutrient-transfer-based-on-3d-imaging-of-the-human-placental-microstructure
#4
S Perazzolo, R M Lewis, B G Sengers, S Perazzolo, R M Lewis, B G Sengers, B G Sengers, R M Lewis, S Perazzolo
Impaired transfer of nutrients from mother to fetus can affect pregnancy outcomes. The placenta has a complex microstructure, including the maternal intervillous space and fetal capillaries. Previous computational models of placental transfer either assumed a simplified idealized local geometry or were based on 2D imaging. In this study, we present a novel 3D computational model to assess the placental transfer of nutrients at the microscale in interaction with the maternal flow environment. A stack of confocal microscopy images of the placental terminal villi was collected and reconstructed...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227795/simplified-realistic-human-head-model-for-simulating-tumor-treating-fields-ttfields
#5
Cornelia Wenger, Ze'ev Bomzon, Ricardo Salvador, Peter J Basser, Pedro C Miranda, Cornelia Wenger, Ze'ev Bomzon, Ricardo Salvador, Peter J Basser, Pedro C Miranda, Peter J Basser, Pedro C Miranda, Cornelia Wenger, Ricardo Salvador, Ze'ev Bomzon
Tumor Treating Fields (TTFields) are alternating electric fields in the intermediate frequency range (100-300 kHz) of low-intensity (1-3 V/cm). TTFields are an anti-mitotic treatment against solid tumors, which are approved for Glioblastoma Multiforme (GBM) patients. These electric fields are induced non-invasively by transducer arrays placed directly on the patient's scalp. Cell culture experiments showed that treatment efficacy is dependent on the induced field intensity. In clinical practice, a software called NovoTal(TM) uses head measurements to estimate the optimal array placement to maximize the electric field delivery to the tumor...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227230/a-biologically-inspired-image-classifier-adaptive-feature-detection
#6
Jeffrey C Ames, Konstantinos P Michmizos, Jeffrey C Ames, Konstantinos P Michmizos, Jeffrey C Ames, Konstantinos P Michmizos
Today's artificial neural networks use computational models and algorithms inspired by the knowledge of the brain in the '90s. Powerful as they are, artificial networks are impressive but their domain specificity and reliance on vast numbers of labeled examples are obvious limitations. About a decade ago, spiking neural networks (SNNs) emerged as a new formalism that takes advantage of the spike timing and are particularly versatile when depicting spatio-temporal representations. The challenge now is to design rules for SNNs that can help them interact with their environment just like humans do...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227065/fea-modeling-and-fluid-flow-simulation-of-human-rectum-with-inserted-bowel-catheters
#7
Yong Zhang, Tina VanRiper, Brian Rague, Drew Weidman, Yong Zhang, Tina VanRiper, Brian Rague, Drew Weidman, Tina VanRiper, Drew Weidman, Brian Rague, Yong Zhang
In this project, fluid flow and fluid-structure interaction are studied for the human lower gastrointestinal (GI) region. The study consists of two steps. First, we apply meshing methods to discretize both the human lower GI model and the catheter model at sufficient resolution suitable for importing into a Finite Element Analysis (FEA) tool. For model discretization, 3D models of the colon reconstructed from human MRI slices are used to obtain the valid inlet and outlet boundary surfaces. To resolve the viscous boundary layer in flow studies, a special structure of the near-wall volumetric mesh is built by triangular prisms that construct quasi-structured, multiple near-boundary sub-layers...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28227057/mobile-interface-for-neuroprosthesis-control-aiming-tetraplegic-users
#8
Renato G Barelli, Plinio T Aquino, Maria Claudia Ferrari de Castro, Renato G Barelli, Plinio T Aquino Junior, Maria Claudia Ferrari de Castro, Plinio T Aquino, Maria Claudia Ferrari de Castro, Renato G Barelli
This article proposes the development of a mobile interface for controlling a Neuroprosthesis, designed to restore grasp patterns, aiming tetraplegics users at C5 and C6 levels. Human Computer Interface paradigms and usability concepts guide its planning and development to garantee the quality of user's interaction with the system and thus, the sucess and controlability of the neuroprostheses. The number of screens and menus were optimized, thus the user may feel the interface as more intuitive, leading to fast learning and increasing the trust on it...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28226970/automated-social-skills-training-with-audiovisual-information
#9
Hiroki Tanaka, Sakriani Sakti, Graham Neubig, Hideki Negoro, Hidemi Iwasaka, Satoshi Nakamura, Hiroki Tanaka, Sakriani Sakti, Graham Neubig, Hideki Negoro, Hidemi Iwasaka, Satoshi Nakamura, Sakriani Sakti, Hidemi Iwasaka, Hiroki Tanaka, Satoshi Nakamura, Graham Neubig, Hideki Negoro
People with social communication difficulties tend to have superior skills using computers, and as a result computer-based social skills training systems are flourishing. Social skills training, performed by human trainers, is a well-established method to obtain appropriate skills in social interaction. Previous works have attempted to automate one or several parts of social skills training through human-computer interaction. However, while previous work on simulating social skills training considered only acoustic and linguistic features, human social skills trainers take into account visual features (e...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28226637/person-specific-gesture-set-selection-for-optimised-movement-classification-from-emg-signals
#10
Adam Hartwell, Visakan Kadirkamanathan, Sean Anderson, Adam Hartwell, Visakan Kadirkamanathan, Sean Anderson, Adam Hartwell, Sean Anderson, Visakan Kadirkamanathan
Movement classification from electromyography (EMG) signals is a promising vector for improvement of human computer interaction and prosthetic control. Conventional work in this area typically makes use of expert knowledge to select a set of movements a priori and then design classifiers based around these movements. The disadvantage of this approach is that different individuals might have different sets of movements that would lead to high classification accuracy. The novel approach we take here is to instead use a data-driven diagnostic test to select a set of person-specific movements...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28226628/improve-the-generalization-of-emotional-classifiers-across-time-by-using-training-samples-from-different-days
#11
Shuang Liu, Jingjing Tong, Minpeng Xu, Jiajia Yang, Hongzhi Qi, Dong Ming, Shuang Liu, Jingjing Tong, Minpeng Xu, Jiajia Yang, Hongzhi Qi, Dong Ming, Shuang Liu, Minpeng Xu, Dong Ming, Hongzhi Qi, Jiajia Yang, Jingjing Tong
Electroencephalographic (EEG)-based emotion recognition has attracted increasing attention from the field of human-computer interaction (HCI). However, there are a number of challenges for machines to correctly recognize human emotional states. One problem is how to generalize the emotion model across time, since the brain may show different patterns of EEG for the same emotion experience at different time. This study investigated the feasibility of adding samples from different days to the training set to improve the generalization of the emotion classifier...
August 2016: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
https://www.readbyqxmd.com/read/28226229/a-perspective-on-the-role-of-computational-models-in-immunology
#12
Arup K Chakraborty
This is an exciting time for immunology because the future promises to be replete with exciting new discoveries that can be translated to improve health and treat disease in novel ways. Immunologists are attempting to answer increasingly complex questions concerning phenomena that range from the genetic, molecular, and cellular scales to that of organs, whole animals or humans, and populations of humans and pathogens. An important goal is to understand how the many different components involved interact with each other within and across these scales for immune responses to emerge, and how aberrant regulation of these processes causes disease...
February 6, 2017: Annual Review of Immunology
https://www.readbyqxmd.com/read/28224972/a-mathematical-model-for-the-two-learners-problem
#13
Jan Mueller, Carmen Vidaurre, Martijn Schreuder, Frank Meinecke, Paul von Bünau, Klaus-Robert Mueller
OBJECTIVE: We present the first generic theoretical formulation of the co-adaptive learning problem and give a simple example of two interacting linear learning systems, a human and a machine. APPROACH: After the description of the training protocol of the two learning systems, we define a simple linear model where the two learning agents are coupled by a joint loss function. The simplicity of the model allows us to find learning rules for both human and machine that permit computing theoretical simulations...
February 22, 2017: Journal of Neural Engineering
https://www.readbyqxmd.com/read/28222879/evaluation-of-die-trim-morphology-made-by-cad-cam%C3%A2-technology
#14
Pratiksha Agrawal, Geoffrey Thompson, Seok-Hwan Cho, Gerald J Ziebert
STATEMENT OF PROBLEM: The die contour can affect the emergence profile of prosthetic restorations. However, little information is available regarding the congruency between a stereolithographic (SLA) die and its corresponding natural tooth. PURPOSE: The purpose of this vitro study was to evaluate the shapes of SLA die in comparison with the subgingival contour of a prepared tooth to be restored with a ceramic crown. MATERIAL AND METHODS: Twenty extracted human teeth, 10 incisors, and 10 molars, were disinfected and mounted in a typodont model...
February 17, 2017: Journal of Prosthetic Dentistry
https://www.readbyqxmd.com/read/28221037/computational-investigation-of-ligand-binding-to-the-peripheral-site-in-cyp3a4-conformational-dynamics-and-inhibitor-discovery
#15
Hanwen Du, Junhao Li, Yingchun Cai, Hongxiao Zhang, Guixia Liu, Yun Tang, Weihua Li
Human cytochrome P450 3A4 (CYP3A4) is a major drug-metabolizing enzyme responsible for the metabolism of ~50% of clinically used drugs and is often involved in drug-drug interactions. It exhibits atypical binding and kinetic behavior towards many ligands. Binding of ligands to CYP3A4 is a complex process. Recent studies from both crystallography and biochemistry suggested the existence of a peripheral ligand-binding site at the enzyme surface. However, the stability of ligand bound at this peripheral site and the possibility of discovering new CYP3A4 ligands based on this site remain unclear...
February 21, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28220482/morphological-interaction-between-the-nasal-septum-and-nasofacial-skeleton-during-human-ontogeny
#16
Matthew J Goergen, Nathan E Holton, Thorsten Grünheid
The nasal septal cartilage is thought to be a key growth center that contributes to nasofacial skeletal development. Despite the developmental influence of the nasal septum however, humans often exhibit a high frequency of septal deviation suggesting discordance in the growth between the septum and surrounding nasofacial skeleton. While there are numerous etiological factors that contribute to septal deviation, the surrounding nasofacial skeleton may also act to constrain the septum, resulting in altered patterns of growth...
February 20, 2017: Journal of Anatomy
https://www.readbyqxmd.com/read/28219432/personalized-heterogeneous-deformable-model-for-fast-volumetric-registration
#17
Weixin Si, Xiangyun Liao, Qiong Wang, Pheng Ann Heng
BACKGROUND: Biomechanical deformable volumetric registration can help improve safety of surgical interventions by ensuring the operations are extremely precise. However, this technique has been limited by the accuracy and the computational efficiency of patient-specific modeling. METHODS: This study presents a tissue-tissue coupling strategy based on penalty method to model the heterogeneous behavior of deformable body, and estimate the personalized tissue-tissue coupling parameters in a data-driven way...
February 20, 2017: Biomedical Engineering Online
https://www.readbyqxmd.com/read/28217795/understanding-the-microscopic-binding-mechanism-of-hydroxylated-and-sulfated-polybrominated-diphenyl-ethers-with-transthyretin-by-molecular-docking-molecular-dynamics-simulations-and-binding-free-energy-calculations
#18
Huiming Cao, Yuzhen Sun, Ling Wang, Chunyan Zhao, Jianjie Fu, Aiqian Zhang
Polybrominated diphenyl ethers (PBDEs), one typical type of persistent environmental contaminant, have toxicological effects such as disrupting thyroid homeostasis in the human body. The high binding affinities of hydroxylated metabolites of PBDEs (OH-PBDEs) with transthyretin (TTR) were considered to be one major reason for their extraordinary capacity of passing through the blood-brain barrier via competitive thyroid hormone (T4) transport protein binding. Recent findings showed that sulfated PBDEs can be formed in human liver cytosol as phase-II metabolites...
February 20, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28215362/efficacy-and-safety-of-sirukumab-in-patients-with-active-rheumatoid-arthritis-refractory-to-anti-tnf-therapy-sirround-t-a-randomised-double-blind-placebo-controlled-parallel-group-multinational-phase-3-study
#19
Daniel Aletaha, Clifton O Bingham, Yoshiya Tanaka, Prasheen Agarwal, Regina Kurrasch, Paul P Tak, Sharon Popik
BACKGROUND: Sirukumab, a human monoclonal antibody that selectively binds to the interleukin-6 cytokine with high affinity, is under development for the treatment of rheumatoid arthritis and other diseases. We aimed to assess the efficacy and safety of sirukumab for rheumatoid arthritis in a phase 3 study (SIRROUND-T). METHODS: We did a randomised, double-blind, placebo-controlled, parallel-group, multicentre study at 183 hospitals and private rheumatology clinics in 20 countries (Argentina, Australia, Austria, Belgium, Canada, France, Germany, Italy, Japan, Lithuania, Mexico, Netherlands, Poland, Portugal, Russia, South Korea, Spain, Taiwan, UK, and USA)...
February 15, 2017: Lancet
https://www.readbyqxmd.com/read/28214932/theoretical-and-experimental-study-of-polycyclic-aromatic-compounds-as-%C3%AE-tubulin-inhibitors
#20
Fabian E Olazarán, Carlos A García-Pérez, Debasish Bandyopadhyay, Isaias Balderas-Rentería, Angel D Reyes-Figueroa, Lars Henschke, Gildardo Rivera
In this work, through a docking analysis of compounds from the ZINC chemical library on human β-tubulin using high performance computer cluster, we report new polycyclic aromatic compounds that bind with high energy on the colchicine binding site of β-tubulin, suggesting three new key amino acids. However, molecular dynamic analysis showed low stability in the interaction between ligand and receptor. Results were confirmed experimentally in in vitro and in vivo models that suggest that molecular dynamics simulation is the best option to find new potential β-tubulin inhibitors...
March 2017: Journal of Molecular Modeling
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