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https://www.readbyqxmd.com/read/28431169/spa-ln-a-scoring-function-of-ligand-nucleic-acid-interactions-via-optimizing-both-specificity-and-affinity
#1
Zhiqiang Yan, Jin Wang
Nucleic acids have been widely recognized as potential targets in drug discovery and aptamer selection. Quantifying the interactions between small molecules and nucleic acids is critical to discover lead compounds and design novel aptamers. Scoring function is normally employed to quantify the interactions in structure-based virtual screening. However, the predictive power of nucleic acid-ligand scoring functions is still a challenge compared to other types of biomolecular recognition. With the rapid growth of experimentally determined nucleic acid-ligand complex structures, in this work, we develop a knowledge-based scoring function of nucleic acid-ligand interactions, namely SPA-LN...
April 20, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28430715/computed-tomography-of-the-head-and-neck-region-for-tumor-staging-comparison-of-dual-source-dual-energy-and-low-kilovolt-single-energy-acquisitions
#2
Matthias Stefan May, Joscha Bruegel, Michael Brand, Marco Wiesmueller, Bernhard Krauss, Thomas Allmendinger, Michael Uder, Wolfgang Wuest
PURPOSE: The aim of this study was to intra-individually compare the image quality obtained by dual-source, dual-energy (DSDE) computed tomography (CT) examinations and different virtual monoenergetic reconstructions to a low single-energy (SE) scan. MATERIALS AND METHODS: Third-generation DSDE-CT was performed in 49 patients with histologically proven malignant disease of the head and neck region. Weighted average images (WAIs) and virtual monoenergetic images (VMIs) for low (40 and 60 keV) and high (120 and 190 keV) energies were reconstructed...
April 20, 2017: Investigative Radiology
https://www.readbyqxmd.com/read/28430485/coherent-coupling-of-remote-spin-ensembles-via-a-cavity-bus
#3
T Astner, S Nevlacsil, N Peterschofsky, A Angerer, S Rotter, S Putz, J Schmiedmayer, J Majer
We report coherent coupling between two macroscopically separated nitrogen-vacancy electron spin ensembles in a cavity quantum electrodynamics system. The coherent interaction between the distant ensembles is directly detected in the cavity transmission spectrum by observing bright and dark collective multiensemble states and an increase of the coupling strength to the cavity mode. Additionally, in the dispersive limit we show transverse ensemble-ensemble coupling via virtual photons.
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430480/superconducting-grid-bus-surface-code-architecture-for-hole-spin-qubits
#4
Simon E Nigg, Andreas Fuhrer, Daniel Loss
We present a scalable hybrid architecture for the 2D surface code combining superconducting resonators and hole-spin qubits in nanowires with tunable direct Rashba spin-orbit coupling. The backbone of this architecture is a square lattice of capacitively coupled coplanar waveguide resonators each of which hosts a nanowire hole-spin qubit. Both the frequency of the qubits and their coupling to the microwave field are tunable by a static electric field applied via the resonator center pin. In the dispersive regime, an entangling two-qubit gate can be realized via a third order process, whereby a virtual photon in one resonator is created by a first qubit, coherently transferred to a neighboring resonator, and absorbed by a second qubit in that resonator...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430155/dynamic-construction-scheme-for-virtualization-security-service-in-software-defined-networks
#5
Zhaowen Lin, Dan Tao, Zhenji Wang
For a Software Defined Network (SDN), security is an important factor affecting its large-scale deployment. The existing security solutions for SDN mainly focus on the controller itself, which has to handle all the security protection tasks by using the programmability of the network. This will undoubtedly involve a heavy burden for the controller. More devastatingly, once the controller itself is attacked, the entire network will be paralyzed. Motivated by this, this paper proposes a novel security protection architecture for SDN...
April 21, 2017: Sensors
https://www.readbyqxmd.com/read/28429885/intravenous-self-administration-of-benzydamine-a-non-steroidal-anti-inflammatory-drug-with-a-central-cannabinoidergic-mechanism-of-action
#6
Riccardo Avvisati, Maria Meringolo, Emiliana Stendardo, Elisa Malavasi, Silvia Marinelli, Aldo Badiani
Benzydamine (BZY) is a non-steroidal anti-inflammatory drug used for the topical treatment of inflammations of the oral and vaginal mucosae. Virtually nothing is known about the central pharmacological actions of BZY. Yet there are reports of voluntary systemic overdosage of BZY in drug addicts, resulting in a euphoric, hallucinatory state. In the present study, we investigated the reinforcing properties of BZY in a rat self-administration paradigm. We found that BZY has a powerful reinforcing effect and that this effect is greatly facilitated in animals that already had substance experience, having previously self-administered heroin and cocaine, indicating cross sensitization between BZY and other common drugs of abuse...
April 21, 2017: Addiction Biology
https://www.readbyqxmd.com/read/28429877/normal-weight-obesity-and-cardiometabolic-risk-a-7-year-longitudinal-study-in-girls-from-prepuberty-to-early-adulthood
#7
Petri Wiklund, Timo Törmäkangas, Yi Shi, Na Wu, Aki Vainionpää, Markku Alen, Sulin Cheng
OBJECTIVE: To study whether normal-weight obesity in childhood is associated with increased cardiometabolic risk in early adulthood. METHODS: This study assessed data for 236 girls followed from prepuberty to early adulthood. Growth chart data were obtained from birth to 18 years. Body composition was assessed by dual-energy x-ray absorptiometry and cardiometabolic risk by calculating continuous clustered risk score (at ages 11, 14, and 18). The association of body weight status with cardiometabolic risk from childhood to early adulthood was examined...
April 21, 2017: Obesity
https://www.readbyqxmd.com/read/28429554/is-there-a-practical-role-for-bone-biopsy-in-chronic-kidney-disease
#8
Terrence Diamond, Grahame J Elder
Bone biopsy is currently the only means to accurately assess renal osteodystrophy and responses to therapeutic interventions. With sedation, the technique is relatively painless, and complications are uncommon. Bone biopsy should be considered when the aetiology of symptoms or biochemical abnormalities is in question, and results may lead to changes in therapy. Although it remains prudent to use antiresorptive drugs cautiously in patients with chronic kidney disease (CKD) stages 3a-4 and low bone mineral density, bone biopsy may not be warranted before commencing therapy in these patients...
March 2017: Nephrology
https://www.readbyqxmd.com/read/28429549/is-there-a-practical-role-for-a-virtual-bone-biopsy-using-high-resolution-imaging-of-bone-in-patients-with-chronic-kidney-disease
#9
Ashish K Sharma, Nigel D Toussaint
Renal osteodystrophy (ROD) refers to alterations in bone turnover, mineralisation, mass and microarchitecture in patients with chronic kidney disease (CKD) and represents the skeletal component of 'CKD-mineral and bone disorder'. Changes in bone structure lead to impaired bone quality, compromised bone strength and increased susceptibility to fractures with associated significant morbidity, mortality and financial cost. Diagnosis and management of ROD is hindered by the inadequacy of currently available diagnostic methods to interpret the complex pathophysiology...
March 2017: Nephrology
https://www.readbyqxmd.com/read/28429140/a-phase-i-ii-study-on-stereotactic-body-radiotherapy-with-real-time-tumor-tracking-using-cyberknife-based-on-the-monte-carlo-algorithm-for-lung-tumors
#10
Hiromitsu Iwata, Satoshi Ishikura, Taro Murai, Michio Iwabuchi, Mitsuhiro Inoue, Koshi Tatewaki, Seiji Ohta, Naoki Yokota, Yuta Shibamoto
BACKGROUND: In this phase I/II study, we assessed the safety and initial efficacy of stereotactic body radiotherapy (SBRT) for lung tumors with real-time tumor tracking using CyberKnife based on the Monte Carlo algorithm. METHODS: Study subjects had histologically confirmed primary non-small-cell lung cancer staged as T1a-T2aN0M0 and pulmonary oligometastasis. The primary endpoint was the incidence of Grade ≥3 radiation pneumonitis (RP) within 180 days of the start of SBRT...
April 20, 2017: International Journal of Clinical Oncology
https://www.readbyqxmd.com/read/28428869/rapid-maximum-likelihood-ancestral-state-reconstruction-of-continuous-characters-a-rerooting-free-algorithm
#11
Eric W Goolsby
Ancestral state reconstruction is a method used to study the evolutionary trajectories of quantitative characters on phylogenies. Although efficient methods for univariate ancestral state reconstruction under a Brownian motion model have been described for at least 25 years, to date no generalization has been described to allow more complex evolutionary models, such as multivariate trait evolution, non-Brownian models, missing data, and within-species variation. Furthermore, even for simple univariate Brownian motion models, most phylogenetic comparative R packages compute ancestral states via inefficient tree rerooting and full tree traversals at each tree node, making ancestral state reconstruction extremely time-consuming for large phylogenies...
April 2017: Ecology and Evolution
https://www.readbyqxmd.com/read/28428608/futuristic-virtual-reality-training-unveiled
#12
(no author information available yet)
No abstract text is available yet for this article.
April 21, 2017: British Dental Journal
https://www.readbyqxmd.com/read/28428263/different-requirements-of-functional-telomeres-in-neural-stem-cells-and-terminally-differentiated-neurons
#13
Anastasia Lobanova, Robert She, Simon Pieraut, Charlie Clapp, Anton Maximov, Eros Lazzerini Denchi
Telomeres have been studied extensively in peripheral tissues, but their relevance in the nervous system remains poorly understood. Here, we examine the roles of telomeres at distinct stages of murine brain development by using lineage-specific genetic ablation of TRF2, an essential component of the shelterin complex that protects chromosome ends from the DNA damage response machinery. We found that functional telomeres are required for embryonic and adult neurogenesis, but their uncapping has surprisingly no detectable consequences on terminally differentiated neurons...
April 20, 2017: Genes & Development
https://www.readbyqxmd.com/read/28428160/simulated-conversations-with-virtual-humans-to-improve-patient-provider-communication-and-reduce-unnecessary-prescriptions-for-antibiotics-a-repeated-measure-pilot-study
#14
Antoinette Schoenthaler, Glenn Albright, Judith Hibbard, Ron Goldman
BACKGROUND: Despite clear evidence that antibiotics do not cure viral infections, the problem of unnecessary prescribing of antibiotics in ambulatory care persists, and in some cases, prescribing patterns have increased. The overuse of antibiotics for treating viral infections has created numerous economic and clinical consequences including increased medical costs due to unnecessary hospitalizations, antibiotic resistance, disruption of gut bacteria, and obesity. Recent research has underscored the importance of collaborative patient-provider communication as a means to reduce the high rates of unnecessary prescriptions for antibiotics...
April 19, 2017: JMIR Medical Education
https://www.readbyqxmd.com/read/28427846/vaccines-are-different-a-systematic-review-of-budget-impact-analyses-of-vaccines
#15
REVIEW
Priscilla Magalhaes Loze, Luciana Bertholim Nasciben, Ana Marli Christovam Sartori, Alexander Itria, Hillegonda Maria Dutilh Novaes, Patrícia Coelho de Soárez
INTRODUCTION: Several countries require manufacturers to present a budget impact analysis (BIA), together with a cost-effectiveness analysis, to support national funding requests. However, guidelines for conducting BIA of vaccines are scarce. OBJECTIVES: To analyze the methodological approaches used in published budget impact analysis (BIA) of vaccines, discussing specific methodological issues related to vaccines. MATERIAL AND METHODS: This systematic review of the literature on BIA of vaccines was carried out in accordance with the Centre for Reviews and Dissemination - CRD guidelines...
April 17, 2017: Vaccine
https://www.readbyqxmd.com/read/28427443/benserazide-a-dopadecarboxylase-inhibitor-suppresses-tumor-growth-by-targeting-hexokinase-2
#16
Wei Li, Mengzhu Zheng, Shuangping Wu, Suyu Gao, Mei Yang, Zhimei Li, Qiuxia Min, Weiguang Sun, Lixia Chen, Guangya Xiang, Hua Li
BACKGROUND: Hexokinase (HK) is the rate-limiting enzyme in the first reaction of glycolysis. And Hexokinase 2 (HK2) is most closely related to malignant tumor which expresses at higher level compared with normal cells. HK2 plays a pivotal role in tumor initiation and maintenance, which provides a new target for cancer therapy. METHODS: Structure-based virtual ligand screening was used in hit identification from ZINC Drug Database. Microscale thermophoresis assay was performed to evaluate the binding affinity...
April 20, 2017: Journal of Experimental & Clinical Cancer Research: CR
https://www.readbyqxmd.com/read/28427385/differences-between-native-and-prosthetic-knees-in-terms-of-cross-sectional-morphology-of-the-femoral-trochlea-a-study-based-on-three-dimensional-models-and-virtual-total-knee-arthroplasty
#17
Zhe Du, Shichang Chen, Mengning Yan, Bing Yue, You Wang
BACKGROUND: The cross-sectional morphology of the prosthetic knee is crucial to understanding patellar motion and quadriceps strength after total knee arthroplasty. However, few comparative evaluations of the cross-sectional morphology of the femoral trochlea have been performed in the native knee and currently available femoral implants, and the relationship between the trochlear anatomy of prosthetic components and post-operative patellofemoral complications remains unclear. We aimed to investigate the differences in cross-sectional morphology of the femoral trochlea between native knees and prosthetic femoral components...
April 20, 2017: BMC Musculoskeletal Disorders
https://www.readbyqxmd.com/read/28426966/assembly-of-excitatory-synapses-in-the-absence-of-glutamatergic-neurotransmission
#18
Richard Sando, Eric Bushong, Yongchuan Zhu, Min Huang, Camille Considine, Sebastien Phan, Suyeon Ju, Marco Uytiepo, Mark Ellisman, Anton Maximov
Synaptic excitation mediates a broad spectrum of structural changes in neural circuits across the brain. Here, we examine the morphologies, wiring, and architectures of single synapses of projection neurons in the murine hippocampus that developed in virtually complete absence of vesicular glutamate release. While these neurons had smaller dendritic trees and/or formed fewer contacts in specific hippocampal subfields, their stereotyped connectivity was largely preserved. Furthermore, loss of release did not disrupt the morphogenesis of presynaptic terminals and dendritic spines, suggesting that glutamatergic neurotransmission is unnecessary for synapse assembly and maintenance...
April 19, 2017: Neuron
https://www.readbyqxmd.com/read/28426940/prospective-assessment-of-virtual-screening-heuristics-derived-using-a-novel-fusion-score
#19
Dante A Pertusi, Gregory O'Donnell, Michelle F Homsher, Kelli Solly, Amita Patel, Shannon L Stahler, Daniel Riley, Michael F Finley, Eleftheria N Finger, Gregory C Adam, Juncai Meng, David J Bell, Paul D Zuck, Edward M Hudak, Michael J Weber, Jennifer E Nothstein, Louis Locco, Carissa Quinn, Adam Amoss, Brian Squadroni, Michelle Hartnett, Mee Ra Heo, Tara White, S Alex May, Evelyn Boots, Kenneth Roberts, Patrick Cocchiarella, Alex Wolicki, Anthony Kreamer, Peter S Kutchukian, Anne Mai Wassermann, Victor N Uebele, Meir Glick, Andrew Rusinko, J Christopher Culberson
High-throughput screening (HTS) is a widespread method in early drug discovery for identifying promising chemical matter that modulates a target or phenotype of interest. Because HTS campaigns involve screening millions of compounds, it is often desirable to initiate screening with a subset of the full collection. Subsequently, virtual screening methods prioritize likely active compounds in the remaining collection in an iterative process. With this approach, orthogonal virtual screening methods are often applied, necessitating the prioritization of hits from different approaches...
April 1, 2017: SLAS Discovery
https://www.readbyqxmd.com/read/28426910/family-and-other-unpaid-caregivers-and-older-adults-with-and-without-dementia-and-disability
#20
Catherine Riffin, Peter H Van Ness, Jennifer L Wolff, Terri Fried
OBJECTIVES: To estimate the number of caregivers providing assistance to community-dwelling older persons with and without dementia and with or without substantial disability; to describe the characteristics of caregivers and care recipients in these groups; to characterize the health-related tasks that caregivers provide; and to estimate associations between the numbers of tasks and caregiver burden. DESIGN: Nationally representative surveys of caregivers and older adults in the United States...
April 20, 2017: Journal of the American Geriatrics Society
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