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https://www.readbyqxmd.com/read/28105116/computer-assisted-quantitative-evaluation-of-bisphosphonate-treatment-for-paget-s-disease-of-bone-using-the-bone-scan-index
#1
Satoshi Nagano, Shunsuke Nakamura, Hirofumi Shimada, Masahiro Yokouchi, Takao Setoguchi, Yasuhiro Ishidou, Hiromi Sasaki, Setsuro Komiya
The purpose of the present study was to analyze the effect of treatment of Paget's disease of bone (PDB) with bone scintigraphy using a computer-assisted diagnosis system (BONENAVI) that quantitatively evaluates bone metabolism. Seven patients with PDB (three male, four female; average age, 60 years; age range, 33-80 years) underwent bone scintigraphy and measurement of serum alkaline phosphatase (ALP), bone-specific ALP (BAP), serum cross-linked N-telopeptide (NTx) of type I collagen, urinary NTx, and deoxypyridinoline (DPD) before and after bisphosphonate treatment...
December 2016: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/28074204/surfactants-adsorption-on-crossing-stripes-and-steps
#2
Manaswee Suttipong, Brian P Grady, Alberto Striolo
Using coarse-grained dissipative particle dynamics (DPD) simulations, we systematically study the effect of surface heterogeneity on surfactant adsorption. Here we investigate the adsorption and aggregation of surfactants on hydrophobic stripes crossing each other perpendicularly (i.e., crossing stripes) and on hydrophobic steps. The results are compared with those obtained for isolated stripes. We find that on crossing stripes of moderate stripe widths (e.g., L = 0.61LS, 1.22LS and 1.83LS, where LS is the length of one surfactant molecule) the crossing region hinders the formation of defect-free adsorbed surfactant structures...
January 11, 2017: Soft Matter
https://www.readbyqxmd.com/read/28063444/computing-the-non-markovian-coarse-grained-interactions-derived-from-the-mori-zwanzig-formalism-in-molecular-systems-application-to-polymer-melts
#3
Zhen Li, Hee Sun Lee, Eric Darve, George Em Karniadakis
Memory effects are often introduced during coarse-graining of a complex dynamical system. In particular, a generalized Langevin equation (GLE) for the coarse-grained (CG) system arises in the context of Mori-Zwanzig formalism. Upon a pairwise decomposition, GLE can be reformulated into its pairwise version, i.e., non-Markovian dissipative particle dynamics (DPD). GLE models the dynamics of a single coarse particle, while DPD considers the dynamics of many interacting CG particles, with both CG systems governed by non-Markovian interactions...
January 7, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28054516/counterintuitive-cooperative-endocytosis-of-like-charged-nanoparticles-in-cellular-internalization-computer-simulation-and-experiment
#4
Ye Li, Bing Yuan, Kai Yang, Xianren Zhang, Bing Yan, Dapeng Cao
The nanoparticles (NPs) functionalized with charged ligands are of particular significance due to their potential drug/gene delivery and biomedical applications. However, the molecular mechanism of endocytosis of the charged NPs by cells, especially the effect of the NP-NP and NP-biomembrane interactions on the internalization pathways is still poorly understood. In this work, we systematically investigate the internalization behaviors of the positively charged NPs by combining experiment technology and dissipative particle dynamics (DPD) simulation...
January 5, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28050491/current-development-of-anti-cancer-drug-s-1
#5
REVIEW
Pratima Chhetri, Anil Giri, Suraj Shakya, Sujana Shakya, Binaya Sapkota, K C Pramod
S-1 is a novel oral fluoropyrimidine derivative, widely used for treating gastric, pancreatic, lung, head, neck and breast carcinomas. It is designed to enhance the clinical utility of an oral fluoropyrimidine and is associated with low gastrointestinal toxicity. S-1 consists of three pharmacological agents (at a molar ratio of 1:0.4:1)-Tegafur (FT), a prodrug of 5-Fluorouracil (5-FU), 5-Chloro-2-4-Dihydroxypyridine (CDHP), which inhibits the activity of Dihydropyrimidine Dehydrogenase (DPD) and Oxonic Acid (Oxo), which reduces Gastrointestinal (GI) toxicity of 5-FU...
November 2016: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/28038414/application-of-mesoscale-simulation-to-explore-the-aggregate-morphology-of-ph-sensitive-nanoparticles-used-as-the-oral-drug-delivery-carriers-under-different-conditions
#6
Yan Wang, Bo Zhi Chen, Yue Jin Liu, Zhi Min Wu, Xin Dong Guo
The pH-sensitive nanoparticles are selected as the potentially promising oral protein and peptide drug carriers due to their excellent performance. With the poly (lactic-co-glycolic acid)/hydroxypropyl methylcellulose phthalate (PLGA/HP55) nanoparticle as a model nanoparticle, the structure-property relationship of nanoparticles with different conditions is investigated by dissipative particle dynamics (DPD) simulations in our work. In the oral drug delivery system, the poly (lactic-co-glycolic acid) (PLGA) is hydrophobic polymer, hydroxypropyl methylcellulose phthalate (HP55) is pH-sensitive enteric polymer which used to protect the nanoparticles through the stomach and polyvinyl alcohol (PVA) is hydrophilic polymer as the stabilizer...
December 20, 2016: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28032083/dihydropyrimidine-dehydrogenase-mutation-in-neoadjuvant-chemotherapy-in-head-and-neck-cancers-myth-or-reality
#7
Vijay M Patil, Vanita Noronha, Amit Joshi, Saurabh Zanwar, Anant Ramaswamy, Supreeta Arya, Abhishek Mahajan, Atanu Bhattacharjee, Kumar Prabhash
PURPOSE: The docetaxel, 5-fluorouracil (5-FU), and cisplatin (TPF) regimen in India is associated with high percentages of Grade 3-4 toxicity. This analysis was planned to evaluate the incidence of dihydropyrimidine dehydrogenase (DPD) mutation in patients with severe gastrointestinal toxicity, to assess whether the mutation could be predicted by a set of clinical criteria and whether it has any impact on postneoadjuvant chemotherapy response. METHODS: All consecutive patients who received TPF regimen in head and neck cancers between January 2015 and April 2015 were selected...
October 2016: South Asian Journal of Cancer
https://www.readbyqxmd.com/read/28027897/relevance-of-dihydropyrimidine-dehydrogenase-and-thymidylate-synthase-in-patients-with-pancreatic-neuroendocrine-neoplasms-treated-with-5-fu-based-chemotherapy
#8
S Krug, M Boch, W Nimphius, T M Gress, P Michl, A Rinke
BACKGROUND: Chemotherapy with 5-FU and Streptozotocin (STZ) is recommended as first-line treatment in patients with metastatic pancreatic neuroendocrine neoplasms (PNEN). However, data about biomarkers involved in the 5-FU metabolism to predict response are still limited. OBJECTIVES: Evaluation of clinicopathological features and potential predictive and prognostic markers of patients with PNEN treated with 5-FU based regimens. PATIENTS AND METHODS: We retrospectively analyzed 41 patients with PNEN who were treated at the University Hospital Marburg between 2000 and 2013...
December 22, 2016: Pancreatology: Official Journal of the International Association of Pancreatology (IAP) ... [et Al.]
https://www.readbyqxmd.com/read/28024938/severe-fluoropyrimidine-toxicity-due-to-novel-and-rare-dpyd-missense-mutations-deletion-and-genomic-amplification-affecting-dpd-activity-and-mrna-splicing
#9
André B P van Kuilenburg, Judith Meijer, Dirk Maurer, Doreen Dobritzsch, Rutger Meinsma, Maartje Los, Lia C Knegt, Lida Zoetekouw, Rob L H Jansen, Vincent Dezentjé, Lieke H van Huis-Tanja, Roel J W van Kampen, Jens Michael Hertz, Raoul C M Hennekam
Dihydropyrimidine dehydrogenase (DPD) is the initial and rate-limiting enzyme in the catabolism of 5-fluorouracil (5FU). Genetic variations in DPD have emerged as predictive risk factors for severe fluoropyrimidine toxicity. Here, we report novel and rare genetic variants underlying DPD deficiency in 9 cancer patients presenting with severe fluoropyrimidine-associated toxicity. All patients possessed a strongly reduced DPD activity, ranging from 9 to 53% of controls. Analysis of the DPD gene (DPYD) showed the presence of 21 variable sites including 4 novel and 4 very rare aberrations: 3 missense mutations, 2 splice-site mutations, 1 intronic mutation, a deletion of 21 nucleotides and a genomic amplification of exons 9-12...
December 24, 2016: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/27913881/phase-ii-trial-of-s-1-plus-leucovorin-in-patients-with-advanced-gastric-cancer-and-clinical-prediction-by-s-1-pharmacogenetic-pathway
#10
Ming-Ming He, Dong-Sheng Zhang, Feng Wang, Zi-Xian Wang, Shu-Qiang Yuan, Zhi-Qiang Wang, Hui-Yan Luo, Chao Ren, Miao-Zhen Qiu, Ying Jin, De-Shen Wang, Dong-Liang Chen, Zhao-Lei Zeng, Yu-Hong Li, Yang-Yang He, Yuan-Tao Hao, Pi Guo, Feng-Hua Wang, Yi-Xin Zeng, Rui-Hua Xu
BACKGROUND: The first one-arm phase II trial aimed to evaluate and predict efficacy and safety of S-1 plus oral leucovorin (S-1/LV) as first-line chemotherapy for patients with advanced gastric cancer (AGC), using S-1 pharmacogenetic pathway approach. PATIENTS AND METHODS: A total of 39 patients orally took S-1 at conventional dose and LV simultaneously at a dose of 25 mg twice daily for a week, within a 2-week cycle. The primary endpoint was overall response rate (ORR), while the secondary endpoints were progression-free survival (PFS), time to failure (TTF), overall survival (OS), disease control rate (DCR), and adverse events (AEs)...
December 2, 2016: Cancer Chemotherapy and Pharmacology
https://www.readbyqxmd.com/read/27910991/structural-fingerprints-of-yielding-mechanisms-in-attractive-colloidal-gels
#11
Arman Boromand, Safa Jamali, João M Maia
Core-Modified Dissipative Particle Dynamics (CM-DPD) with a modified depletion potential and full hydrodynamics description is used to study non-equilibrium properties of colloidal gels with short range attraction potentials at an intermediate volume fraction (ϕ = 0.2) under start-up shear deformation. Full structural and rheological analysis using the stress fabric tensor complemented by bond number and bond distribution evolution under flow reveals that similarly to dilute colloidal gels, flow-induced anisotropy and strain-induced stretching of bonds are present during the first yielding transition...
December 2, 2016: Soft Matter
https://www.readbyqxmd.com/read/27899985/possible-role-of-thymidine-phosphorylase-in-gynecological-tumors-as-an-individualized-treatment-strategy
#12
Masako Shida, Masanori Yasuda, Mariko Fujita, Masaki Miyazawa, Hiroshi Kajiwara, Takeshi Hirasawa, Masae Ikeda, Naruaki Matsui, Toshinari Muramatsu, Mikio Mikami
Thymidine phosphorylase (TP) is structurally similar to platelet-derived endothelial cell growth factor, and it activates 5-fluorouracil (5-FU) prodrugs and also promotes angiogenesis. In the present study, the possibility of using TP expression as a biomarker for 5-FU prodrugs, and the significance of TP as an angiogenic factor, were investigated in patients with gynecological tumors. The subjects enrolled in the study were 188 patients with gynecological tumors who provided informed consent and underwent tumor resection at the Department of Obstetrics and Gynecology of Tokai University Hospital between February 2002 and January 2010...
November 2016: Oncology Letters
https://www.readbyqxmd.com/read/27894988/experimental-observations-and-dissipative-particle-dynamic-simulations-on-microstructures-of-ph-sensitive-polymer-containing-amorphous-solid-dispersions
#13
Mengchi Sun, Bingyu Li, Yanchun Li, Yangdan Liu, Qi Liu, Hailun Jiang, Zhonggui He, Yongshan Zhao, Jin Sun
Amorphous solid dispersion (ASD) technique is an effective strategy to increase the dissolution rate of poorly soluble drugs. However, it is inherently unstable, and the molecular basis for achieving kinetic stability is not well understood. In this study, lacidipine-Eudragit_E_100 solid dispersions with 20% drug loading were prepared using the solvent evaporation. Dissolution tested showed that ASD had a significantly high rate, which was dependent on the pH of the medium. Based on time-dependent measurement of supersaturation and particle size, inhibition of crystal growth by Eudragit_E_100 differed at pH 1...
November 25, 2016: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/27894676/a-multiscale-biomechanical-model-of-platelets-correlating-with-in-vitro-results
#14
Peng Zhang, Li Zhang, Marvin J Slepian, Yuefan Deng, Danny Bluestein
Using dissipative particle dynamics (DPD) combined with coarse grained molecular dynamics (CGMD) approaches, we developed a multiscale deformable platelet model to accurately describe the molecular-scale intra-platelet constituents and biomechanical properties of platelets in blood flow. Our model includes the platelet bilayer membrane, cytoplasm and an elaborate elastic cytoskeleton. Correlating numerical simulations with published in-vitro experiments, we validated the biorheology of the cytoplasm, the elastic response of membrane to external stresses, and the stiffness of the cytoskeleton actin filaments, resulting in an accurate representation of the molecular-level biomechanical microstructures of platelets...
January 4, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/27888515/conserving-the-linear-momentum-in-stochastic-dynamics-dissipative-particle-dynamics-as-a-general-strategy-to-achieve-local-thermostatization-in-molecular-dynamics-simulations
#15
Peter P Passler, Thomas S Hofer
Stochastic dynamics is a widely employed strategy to achieve local thermostatization in molecular dynamics simulation studies; however, it suffers from an inherent violation of momentum conservation. Although this short-coming has little impact on structural and short-time dynamic properties, it can be shown that dynamics in the long-time limit such as diffusion is strongly dependent on the respective thermostat setting. Application of the methodically similar dissipative particle dynamics (DPD) provides a simple, effective strategy to ensure the advantages of local, stochastic thermostatization while at the same time the linear momentum of the system remains conserved...
February 15, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27883324/hormone-therapy-reduces-bone-resorption-but-not-bone-formation-in-postmenopausal-athletes
#16
Suzy Y Honisett, David Pagliaro, Kathy Tangalakis, Bronwyn Kingwell, Peter Ebeling, Robyn Craven, Juliana Antonopillai, Vasso Apostolopoulos, Lily Stojanovska
INTRODUCTION: Independently, hormone therapy and exercise have well-established protective effects on bone parameters. The combined effects of hormone therapy and exercise, however, are less clear. We, therefore, examined the effects of hormone therapy on bone turnover markers in postmenopausal women undergoing regular high intensity exercise. METHODS: In a randomised, double blind study, postmenopausal athletes competing at Masters level, received either hormone therapy (50 μg transdermal oestradiol, 5 mg MPA, n = 8) or placebo (n = 7) for 20 weeks...
November 1, 2016: Prilozi (Makedonska Akademija Na Naukite i Umetnostite. Oddelenie za Medicinski Nauki)
https://www.readbyqxmd.com/read/27883319/the-effects-of-hormonal-therapy-and-exercise-on-bone-turnover-in-postmenopausal-women-a-randomised-double-blind-pilot-study
#17
Suzy Y Honisett, Kathy Tangalakis, John Wark, Vasso Apostolopoulos, Lily Stojanovska
INTRODUCTION: Hormone replacement therapy (HRT) and walking were investigated independently and in combination, to determine which treatment provided most effect on bone turnover in postmenopausal women. METHODS: Using a randomised double-blind pilot study, 10 subjects received HRT (transdermal estradiol, 50 μg/day and oral MPA 5 mg/day) and 12 received placebo for 20 weeks. Following a baseline period of treatment, both groups undertook a graduated walking regimen, which increased in intensity, duration and frequency parameters from weeks 8-20...
November 1, 2016: Prilozi (Makedonska Akademija Na Naukite i Umetnostite. Oddelenie za Medicinski Nauki)
https://www.readbyqxmd.com/read/27875025/adherence-and-barriers-to-hyperinsufflation-in-children-with-congenital-muscular-dystrophy
#18
John E Pascoe, Hemant Sawnani, Oscar H Mayer, Keith McConnell, Joseph M McDonough, Cynthia White, Anne M Rutkowski, Raouf S Amin, Avani C Modi
BACKGROUND: Congenital muscular dystrophy (CMD) is a rare, inherited neuromuscular disease characterized by progressive muscle weakness, thoracic insufficiency, and ultimately respiratory failure. Adherence to respiratory therapies in children with neuromuscular disorders is unknown. This study examined the multimodal assessment of adherence and barriers to 15 min, twice daily hyperinsufflation in children with CMD. Adherence was hypothesized to be greater than 50% and discomfort, embarrassment, and difficulty finding time were hypothesized to be barriers...
November 22, 2016: Pediatric Pulmonology
https://www.readbyqxmd.com/read/27873058/prediction-of-the-reverse-micellar-extraction-of-papain-using-dissipative-particle-dynamics-simulation
#19
Mingxiang Lin, Tingting Yu, Junfen Wan, Xuejun Cao
Reverse micellar extraction is a promising technology for large-scale protein purification, but its molecular interaction mechanisms have not been thoroughly characterized. In this study, a dissipative particle dynamics (DPD) molecular simulation method was employed to study the interactions among the surfactant, organic phase, water, and proteins on the mesoscopic scale. This study simulated the self-assembly process of the reverse micelle extraction of papain. The results showed that the papain could be extracted by a CTAB/isooctane/n-hexanol system, which was validated by extraction experiments...
November 21, 2016: Applied Biochemistry and Biotechnology
https://www.readbyqxmd.com/read/27869567/use-of-the-daily-phone-diary-to-study-religiosity-and-mood-convergent-validity
#20
Rhonda D Szczesniak, Yuanshu Zou, Sophia M Dimitriou, Alexandra L Quittner, Daniel H Grossoehme
Studies of religious/spiritual behavior frequently rely on self-reported questionnaire data, which is susceptible to bias. The Daily Phone Diary (DPD) was developed to minimize bias in reporting activities and behavior across a 24-hour period. A cross-sectional study of 126 parents of children with cystic fibrosis was used to establish the validity of the DPD to study religious/spiritual behaviors. Longitudinal models were used to determine the odds of improved mood during religious/spiritual activities. Convergent validity was found...
November 21, 2016: Journal of Health Care Chaplaincy
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