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https://www.readbyqxmd.com/read/28742339/vms-rot-a-new-module-of-the-virtual-multifrequency-spectrometer-for-simulation-interpretation-and-fitting-of-rotational-spectra
#1
Daniele Licari, Nicola Tasinato, Lorenzo Spada, Cristina Puzzarini, Vincenzo Barone
The Virtual Multifrequency Spectrometer (VMS) is a tool that aims at integrating a wide range of computational and experimental spectroscopic techniques with the final goal of disclosing the static and dynamic physical-chemical properties "hidden" in molecular spectra. VMS is composed of two parts, namely VMS-Comp, which provides access to the latest developments in the field of computational spectroscopy, and VMS-Draw, which provides a powerful graphical user interface (GUI) for an intuitive interpretation of theoretical outcomes and a direct comparison to experiment...
July 25, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28742282/med-resulting-from-recessively-inherited-mutations-in-the-gene-encoding-calcium-activated-nucleotidase-cant1
#2
Karthika Balasubramanian, Bing Li, Deborah Krakow, Lisette Nevarez, Patric J Ho, Julia A Ainsworth, Deborah A Nickerson, Michael J Bamshad, LaDonna Immken, Ralph S Lachman, Daniel H Cohn
Multiple Epiphyseal Dysplasia (MED) is a relatively mild skeletal dysplasia characterized by mild short stature, joint pain, and early-onset osteoarthropathy. Dominantly inherited mutations in COMP, MATN3, COL9A1, COL9A2, and COL9A3, and recessively inherited mutations in SLC26A2, account for the molecular basis of disease in about 80-85% of the cases. In two families with recurrent MED of an unknown molecular basis, we used exome sequencing and candidate gene analysis to identify homozygosity for recessively inherited missense mutations in CANT1, which encodes calcium-activated nucleotidase 1...
July 25, 2017: American Journal of Medical Genetics. Part A
https://www.readbyqxmd.com/read/28730917/novice-runners-show-greater-changes-in-kinematics-with-fatigue-compared-with-competitive-runners
#3
Ellen Maas, Jorien De Bie, Riet Vanfleteren, Wouter Hoogkamer, Benedicte Vanwanseele
Fatigue, developed over the course of a run, may cause changes in running kinematics. Training status may influence the effect of fatigue on running kinematics, since well trained, competitive runners are used to running until exhaustion, whereas novice runners are not. This study aimed to determine changes in running kinematics during an exhaustive run in both novice (NOVICE) and competitive (COMP) long-distance runners. About 15 NOVICE and 15 COMP runners performed a treadmill run, until voluntary exhaustion at 3,200 m time trial pace...
July 21, 2017: Sports Biomechanics
https://www.readbyqxmd.com/read/28720081/identification-of-an-easy-to-use-3d-culture-model-to-investigate-invasion-and-anticancer-drug-response-in-chondrosarcomas
#4
Eva Lhuissier, Céline Bazille, Juliette Aury-Landas, Nicolas Girard, Julien Pontin, Martine Boittin, Karim Boumediene, Catherine Baugé
BACKGROUND: Cytotoxic efficacy of anticancer drugs has been widely studied with monolayer-cultured cancer cells. However, the efficacy of drugs under two-dimensional (2D) culture condition usually differs from that of three-dimensional (3D) one. In the present study, an in vitro tumor tissue model was constructed using alginate hydrogel, and in vitro cytotoxic efficacy of two anticancer drugs (cisplatin and DZNep) was investigated in chondrosarcomas, and compared to in vivo response. METHODS: Three cell lines derived from human chondrosarcomas, CH2879, JJ012 and SW1353, were embedded in alginate hydrogel...
July 18, 2017: BMC Cancer
https://www.readbyqxmd.com/read/28714570/human-osteoarthritic-chondrons-outnumber-patient-and-joint-matched-chondrocytes-in-hydrogel-culture-future-application-in-autologous-cell-based-oa-cartilage-repair
#5
Miriam Rothdiener, Tatiana Uynuk-Ool, Norbert Südkamp, Matthias Aurich, Alan J Grodzinsky, Bodo Kurz, Bernd Rolauffs
Autologous chondrocyte implantation (ACI) is used in 34-60% for osteoarthritic (OA) cartilage defects, although ACI is neither recommended nor designed for OA. Envisioning a hydrogel-based ACI for OA that uses chondrons instead of classically used chondrocytes, we hypothesized that human OA-chondrons may outperform OA-chondrocytes. We compared patient- and joint surface-matched human OA-chondrons vs. OA-chondrocytes cultured for the first time in a hydrogel, using a self-assembling peptide system. We determined yield, viability, cell numbers, mRNA expression, GAPDH mRNA enzyme activity, collagen II synthesis (CPII) and degradation (C2C), and sGAG...
July 17, 2017: Journal of Tissue Engineering and Regenerative Medicine
https://www.readbyqxmd.com/read/28711582/a-novel-wnt-pathway-inhibitor-sm04690-for-the-treatment-of-moderate-to-severe-osteoarthritis-of-the-knee-results-of-a-24-week-randomized-controlled-phase-1-study
#6
Y Yazici, T E McAlindon, R Fleischmann, A Gibofsky, N E Lane, A J Kivitz, N Skrepnik, E Armas, C J Swearingen, A DiFrancesco, J R S Tambiah, J Hood, M C Hochberg
OBJECTIVE: To assess the safety, pharmacokinetics, and exploratory efficacy of SM04690, a novel Wnt pathway inhibitor, as a potential disease modifying treatment for knee osteoarthritis (OA). DESIGN: Subjects with Kellgren-Lawrence grade 2-3 knee OA were randomized in successive dose-escalation cohorts to receive a knee intra-articular (IA) injection with 0.03, 0.07, or 0.23 mg SM04690, or placebo (PBO) (4:1 ratio). Safety, pharmacokinetics, efficacy (WOMAC Total/Function/Pain, Pain VAS, Physician Global Assessment [MDGA], and OMERACT-OARSI Response), OA-related biomarker (P1NP, ß-CTX, and cartilage oligomeric matrix protein [COMP]), and radiographic/imaging data were collected at baseline and during 24-week follow-up...
July 13, 2017: Osteoarthritis and Cartilage
https://www.readbyqxmd.com/read/28692985/emdl-extracting-mirna-drug-interactions-from-literature
#7
Wenbin Xie, Hong Yan, Xing-Ming Zhao
The microRNAs (miRNAs), regulators of post-transcriptional processes, have been found to affect the efficacy of drugs by regulating the biological processes in which the target proteins of drugs may be involved. For example, some drugs develop resistance when certain miRNAs are overexpressed. Therefore, identifying miRNAs that affect drug effects can help understand the mechanisms of drug actions and design more efficient drugs. Although some computational approaches have been developed to predict miRNA-drug associations, such associations rarely provide explicit information about which miRNAs and how they affect drug efficacy...
July 6, 2017: IEEE/ACM Transactions on Computational Biology and Bioinformatics
https://www.readbyqxmd.com/read/28685811/homozygosity-for-a-missense-variant-in-comp-gene-associated-with-severe-pseudoachondroplasia
#8
Muhammad Tariq, Tahir Naeem Khan, Lars Lundin, Muhammad Jameel, Torsten Lönnerholm, Shahid Mahmood Baig, Niklas Dahl, Joakim Klar
The phenotypic spectrum associated with heterozygous mutations in cartilage oligomeric matrix protein gene (COMP) range from a mild form of multiple epiphyseal dysplasia (MED) to pseudoachondroplasia (PSACH). However, the phenotypic effect from biallelic COMP variants is unclear. We investigated a large consanguineous Pakistani family with a severe form of PSACH in two individuals. Another 14 family members presented with a mild PSACH phenotype similar to MED. Using exome sequencing and subsequent segregation analysis, we identified homozygosity for a COMP missense variant (c...
July 7, 2017: Clinical Genetics
https://www.readbyqxmd.com/read/28671352/transcriptional-profiling-of-articular-cartilage-in-a-porcine-model-of-early-post-traumatic-osteoarthritis
#9
Jakob T Sieker, Benedikt L Proffen, Kimberly A Waller, Kaitlyn E Chin, Naga P Karamchedu, Matthew R Akelman, Gabriel S Perrone, Ata M Kiapour, Johannes Konrad, Martha M Murray, Braden C Fleming
To identify the molecular pathophysiology present in early post-traumatic osteoarthritis (PTOA), the transcriptional profile of articular cartilage and its response to surgical PTOA induction were determined. 36 Yucatan minipigs underwent anterior cruciate ligament (ACL) transection and were randomly assigned in equal numbers to no further treatment, reconstruction or ligament repair. Cartilage was harvested at 1 and 4 weeks post-operatively and histology and RNA-sequencing were performed and compared to controls...
July 3, 2017: Journal of Orthopaedic Research: Official Publication of the Orthopaedic Research Society
https://www.readbyqxmd.com/read/28662207/the-urine-metabolome-differs-between-lean-and-overweight-labrador-retriever-dogs-during-a-feed-challenge
#10
Josefin Söder, Ragnvi Hagman, Johan Dicksved, Sanna Lindåse, Kjell Malmlöf, Peter Agback, Ali Moazzami, Katja Höglund, Sara Wernersson
Obesity in dogs is an increasing problem and better knowledge of the metabolism of overweight dogs is needed. Identification of molecular changes related to overweight may lead to new methods to improve obesity prevention and treatment. The aim of the study was firstly to investigate whether Nuclear Magnetic Resonance (NMR) based metabolomics could be used to differentiate postprandial from fasting urine in dogs, and secondly to investigate whether metabolite profiles differ between lean and overweight dogs in fasting and postprandial urine, respectively...
2017: PloS One
https://www.readbyqxmd.com/read/28657833/serum-interleukin-6-and-survivin-levels-predict-clinical-response-to-etanercept-treatment-in-patients-with-established-rheumatoid-arthritis
#11
Rui Shi, Muzhi Chen, Bahaerguli Litifu
OBJECTIVES: To investigate the correlation of nine potential biomarkers with clinical response to etanercept (ETN) therapy in establish rheumatoid arthritis (RA) patients. METHODS: Seventy-three patients with established RA were enrolled in the prospective cohort study. Sixty-nine of 73 cases were included into final analysis for response after 24-week ETN therapy. Serum expression of nine studied proteins was measured by enzyme-linked immunosorbent assay (ELISA)...
June 28, 2017: Modern Rheumatology
https://www.readbyqxmd.com/read/28650691/changes-in-cartilage-biomarker-levels-during-a-transcontinental-multistage-footrace-over-4486-km
#12
Annegret Mündermann, Christopher Klenk, Christian Billich, Corina Nüesch, Geert Pagenstert, Arno Schmidt-Trucksäss, Uwe Schütz
BACKGROUND: Cartilage turnover and load-induced tissue changes are frequently assessed by quantifying concentrations of cartilage biomarkers in serum. To date, information on the effects of ultramarathon running on articular cartilage is scarce. HYPOTHESIS: Serum concentrations of cartilage oligomeric matrix protein (COMP), matrix metalloproteinase (MMP)-1, MMP-3, MMP-9, COL2-3/4C long mono (C2C), procollagen type II C-terminal propeptide (CPII), and C2C:CPII will increase throughout a multistage ultramarathon...
June 1, 2017: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/28647377/establishing-rarity-in-the-context-of-orphan-medicinal-product-designation-in-the-european-union
#13
REVIEW
Stelios Tsigkos, Matthias Hoffer, Maria Sheean, Segundo Mariz, Kristina Larsson, Frauke Naumann-Winter, Laura Fregonese, Bruno Sepodes
In the European Union (EU) legislative framework for orphan medicinal product designation, establishing that a condition affects not more than five in 10,000 people is a prerequisite for applications based on rarity. Demonstrating this requirement to the Committee of Orphan Medicinal Products (COMP) can be a particularly challenging task for sponsors. Here, we identify and examine three common issues with the estimation of prevalence in orphan drug applications in the EU (the discernment between diagnosed and undiagnosed cases; the duration of the disease; and the need for an explicit contemporary conclusion) as critical factors for acceptable prevalence estimation...
June 21, 2017: Drug Discovery Today
https://www.readbyqxmd.com/read/28625746/the-fragmentation-mechanism-and-immune-protective-effect-of-cftep-in-the-scallop-chlamys-farreri
#14
Zhuang Xue, Leilei Wang, Zhaoqun Liu, Weilin Wang, Chang Liu, Xiaorui Song, Lingling Wang, Linsheng Song
Thioester-containing proteins (TEPs), characterized by a unique intrachain β-cysteinyl-γ-glutamyl thioester bond, form an ancient and diverse family of secreted proteins that play central roles in the innate immune response. But the existence form and immune protection mechanism of TEP in invertebrates still remain unclear, especially in the mollusks. The fragmentation and the immune-protective effect of thioester bond in CfTEP, a previously identified thioester-containing protein in scallop Chlamys farreri, were characterized in the present study...
June 15, 2017: Developmental and Comparative Immunology
https://www.readbyqxmd.com/read/28602855/effects-of-substrate-stiffness-on-the-tenoinduction-of-human-mesenchymal-stem-cells
#15
Anowarul Islam, Thomas Mbimba, Mousa Younesi, Ozan Akkus
Extracellular matrix modulus plays an important role in regulating cell morphology, proliferation and differentiation during regular and diseased states. Although the effects of substrate topography and modulus on MSC differentiation are well known with respect to osteogenesis and adipogenesis, there has been relatively little investigation on the effects of this phenomenon on tenogenesis. Furthermore, relative roles of topographical factors (matrix alignment vs. matrix modulus) in inducing tenogenic differentiation is not well understood...
June 5, 2017: Acta Biomaterialia
https://www.readbyqxmd.com/read/28602782/associations-between-serum-ghrelin-and-knee-symptoms-joint-structures-and-cartilage-or-bone-biomarkers-in-patients-with-knee-osteoarthritis
#16
J Wu, K Wang, J Xu, G Ruan, Q Zhu, J Cai, J Ren, S Zheng, Z Zhu, P Otahal, C Ding
OBJECTIVE: The roles of ghrelin in knee osteoarthritis (OA) are unclear. This study aimed to examine cross-sectional associations of ghrelin with knee symptoms, joint structures and cartilage or bone biomarkers in patients with knee OA. METHODS: This study included 146 patients with symptomatic knee OA. Serum levels of ghrelin and cartilage or bone biomarkers including cartilage oligomeric matrix protein (COMP), cross linked C-telopeptide of type I collagen (CTXI), cross linked N-telopeptide of type I collagen (NTXI), N-terminal procollagen III propeptide (PIIINP), and matrix metalloproteinase (MMP)-3, 10, 13 were measured using Enzyme-linked immunosorbent assay (ELISA)...
June 15, 2017: Osteoarthritis and Cartilage
https://www.readbyqxmd.com/read/28601877/-successful-treatment-of-neonatal-respiratory-transitional-disorder-with-pulmo-vivianit-comp-in-2-cases
#17
Benedikt M Huber, Dirk Bassler
BACKGROUND: Disorders of the respiratory transition at birth are major reasons for neonates being admitted to intensive care units and separated from their mothers. This has potential long-lasting consequences for the mother-infant interaction as well as the long-term development of the child. There is an urgent need for effective preventive and therapeutic measures for this frequent disorder. CASE REPORT: We report the cases of 2 newborn infants with respiratory transitional disorder treated off-label with the anthroposophic medicament Pulmo/Vivianit comp...
2017: Complementary Medicine Research
https://www.readbyqxmd.com/read/28586207/primadorac-a-free-web-interface-for-the-assignment-of-partial-charges-chemical-topology-and-bonded-parameters-in-organic-or-drug-molecules
#18
Piero Procacci
We present PrimaDORAC, a simple and freely accessible web interface for generating the topology and the parameter files of organic or drug molecules to be used in molecular mechanics or molecular dynamics calculations. The interface relies on our in-house FORTRAN90 parser, working on the recently released Generalized Amber Force Field parameter set (GAFF2). AM1/BCC charges are computed using the Public Domain MOPAC7 program and the bond charge corrections (BCC) reported in Jakalian, A.; Jack, D. B.; Bayly, C...
June 14, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28585857/la-polifarmacia-del-paciente-cr%C3%A3-nico-complejo-y-la-nutrici%C3%A3-n-enteral
#19
Rosa Mª Romero Jiménez, Cristina Ortega Navarro, Cristina Cuerda Compés
La administración del tratamiento farmacológico en pacientes crónicos complejos tiene que realizarse en numerosas ocasiones por la misma vía por la que se administra la nutrición enteral. Es importante tener en cuenta la posibilidad de aparición de interacciones, ya que podrían producirse problemas asociados, como una pérdida de la efectividad del tratamiento farmacológico o una obstrucción de la sonda. Este tipo de pacientes suele tener un alto riesgo de presentar incompatibilidades de su tratamiento farmacológico con la nutrición enteral, debido a que se debe modificar en numerosas ocasiones la forma farmacéutica para la administración por sonda o enterostomía...
May 8, 2017: Nutrición Hospitalaria: Organo Oficial de la Sociedad Española de Nutrición Parenteral y Enteral
https://www.readbyqxmd.com/read/28579384/managing-molars-with-severe-molar-incisor-hypomineralization-a-cost-effectiveness-analysis-within-german-healthcare
#20
Karim Elhennawy, Paul-Georg Jost-Brinkmann, David John Manton, Sebastian Paris, Falk Schwendicke
OBJECTIVES: Dentists have a range of options for managing molars with severe molar-incisor hypomineralization (MIH), each with different long-term implications. The cost-effectiveness of managing molars with severe MIH was assessed. METHODS: A mixed public-private-payer perspective within German healthcare was adopted. Individuals with one to four severely MIH-affected molars were followed over their lifetime. We compared: (1) removal of the tooth/teeth and orthodontic alignment of the second and third molars (Ex/Ortho); (2) restoration of the tooth using resin composite (Comp); (3) restoration using an indirect metal crown after temporizing it using a preformed metal crown (PMC/IR)...
June 1, 2017: Journal of Dentistry
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