bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparison of the anticancer properties of a novel valproic acid prodrug to leading histone deacetylase inhibitors
Authors: Tarasenko Nataly , Chekroun‐Setti Hanna , Nudelman Abraham , Rephaeli Ada 
Published: November 2017

AbstractThe HDAC inhibitory activity of valproic acid (VPA) has led to on‐going evaluation of it as an anticancer agent. The histone deacetylase (HDAC) inhibitor AN446, a prodrug of VPA, releases the acid upon metabolic degradation. AN446 is >60‐fold more potent than VPA in killing cancer cells in vitro. Herein, we compare the activities of AN446, as an anticancer agent, to those of representative types from each of the four major classes of HDAC inhibitors (HDACIs): vorinostat, romidepsin, entinostat, and VPA. AN446 exhibited the greatest selectivity and HDAC inhibitory activity against cancer cells. In glioblastoma cells only AN446, and in MDA‐MB‐231 cells only AN446 and VPA interacted in synergy with doxorubicin (Dox). AN446 was superior to the studied HDACIs in inducing DNA‐damage in cancer cells, while in normal astrocytes and cardiomyoblasts AN446 was the least toxic. AN446 was the only HDACI tested that exhibited selective HDAC inhibitory activity that was high in cancer cells and low in noncancerous cells. This discriminating inhibition correlated with the toxicity of the HDACIs, suggesting that their effects could be attributed to HDAC inhibition. In cardiomyoblasts, the HDACIs tested, except for AN446, hampered DNA repair by reducing the level of Rad 51. VPA and AN446 were the most effective HDACIs in inhibiting in vitro migration and invasion. The advantages of AN446 shown here, position it as a potentially improved HDACI for treatment of glioblastoma and triple negative breast cancer.
Brompheniramine and Chlorpheniramine Pharmacokinetics Following Single‐Dose Oral Administration in Children Aged 2 to 17 Years
Authors: Pathirana Sudam , Jayawardena Shyamalie , Meeves Suzanne , Thompson Gary A. 
Published: November 2017

AbstractTwo pediatric studies characterized brompheniramine and chlorpheniramine pharmacokinetics in a total of 72 subjects, aged 2 to 17 years. A single age‐/weight‐based oral dose, ranging from 1 to 4 mg, was administered with 2 to 6 oz of water at least 2 hours after a light breakfast. Plasma samples were obtained before and for 72 hours after dosing and analyzed using high‐pressure liquid chromatography–tandem mass spectrometry. Pharmacokinetic parameters were estimated using noncompartmental methods; relationships with age were assessed using linear regression. Results indicated that for brompheniramine and chlorpheniramine, Cmax was similar across age groups, although it tended to occur earlier in the youngest group. AUC was ∼15% to 30% higher in the oldest age group. As expected, CLo and Vz/F increased with age; however, following allometric scaling, no age‐related differences existed. Because the increase with age for both parameters was similar, no age‐related differences in t1/2,z existed (∼15 hours). Overall, the single doses were well tolerated. Sedation was the most common reported AE and appeared to be more prevalent in the 2‐ to 5‐year‐old group. Overall, these results indicate that an age/weight dosing nomogram using a 4‐fold range of doses achieves similar Cmax and AUC.
ATR‐FTIR spectroscopy and μ‐EDXRF spectrometry monitoring of enamel erosion caused by medicaments used in the treatment of respiratory diseases
Authors: Gomes Raimundo Nonato Silva , Bhattacharjee Tanmoy T. , Carvalho Luis Felipe C. S. , Soares Luís Eduardo Silva 
Published: November 2017

AbstractMedicaments essential for alleviation of diseases may sometime adversely affect dental health by eroding the enamel, owing to their acidic nature. It is therefore highly desirable to be able to detect these effects quickly and reliably. In this study, we evaluated the erosive capacity of four most commonly prescribed respiratory disease syrup medicaments on enamel using micro‐energy‐dispersive X‐ray fluorescence spectrometry (µ‐EDXRF) and attenuated total reflection Fourier transform infrared spectroscopy (ATR‐FTIR). Fifty‐five enamel fragments obtained from 30 bovine teeth were treated with artificial saliva (S), acebrofilin hydrochloride (AC), ambroxol hydrochloride (AM), bromhexine hydrochloride (BR), and salbutamol sulfate (SS); by immersing in 3 mL of respective solutions for 1 min, three times a day at intervals of 1 hr, for 5 days. µ‐EDXRF analysis of enamel surface did not reveal significant erosion caused by the medications. However, ATR‐FTIR showed a detectable shift in the phosphate (PO4) antisymmetric stretching mode (ν3) at ∼985 cm−1for AM, BR, and SS, indicating erosion. Multivariate statistical analysis showed that AC, AM, SS, and BR could be classified with 70%, 80%, 100%, and 100% efficiency from S (control), further highlighting the ability of ATR‐FTIR to identify degree of erosion. This suggests ATR‐FTIR may be used to rapidly and nondestructively investigate erosive effects of medicaments.
Can MR enterography screen for perianal disease in pediatric inflammatory bowel disease?
Authors: AlSabban Zehour , Carman Nicholas , Moineddin Rahim , Lo Ryan T. , King Sebastian K. , Langer Jacob C. , Walters Thomas D. , Griffiths Anne M. , Church Peter C. , Greer Mary‐Louise C. 
Published: November 2017

BackgroundPediatric Crohn's disease is associated with perianal disease (PAD). Magnetic resonance enterography (MRE) assesses small bowel involvement in pediatric inflammatory bowel disease (PIBD). Pelvic MRI (P‐MRI) is the gold standard for assessing PAD.PurposeTo determine if MRE can accurately detect PAD in PIBD, distinguishing perianal fistulae (PAF) from perianal abscesses (PAA), referenced against P‐MRI.Study TypeRetrospective.PopulationSeventy‐seven PIBD patients, 27 females (mean age 14.1 years), with P‐MRI and MRE within 6 months.Field Strength/Sequence1.5T and 3T; P‐MRI: sagittal fat suppressed (FS) T2 fast spin‐echo (FSE), coronal short tau inversion recovery, axial T1 FSE, coronal and axial postcontrast FS T1 FSE; MRE: coronal balanced steady‐state free‐precession (SSFP), coronal cine SSFP, coronal and axial single‐shot T2 FS, axial SSFP, coronal ultrafast 3D T1‐weighted gradient echo FS (3D T1 GE), axial diffusion‐weighted imaging, coronal and axial postcontrast 3D T1 GE FS.AssessmentTwo radiologists independently, then by consensus, assessed randomized MRI exams, recording PAF number, location, and length; and PAA number, location, length, and volume. Sensitivity analysis used clinical disease as the gold standard, calculated separately for P‐MRI and MRE.Statistical TestsComparing MRE and P‐MRI consensus data, sensitivity, specificity, positive, and negative predictive values (P/NPV) were calculated. Inter‐ and intrareader reliability were assessed using kappa statistics.ResultsP‐MRI and MRE were paired, detecting PAD in 73 patients, PAF in 63, and PAA in 31 P‐MRI. MRE sensitivities, specificities, PPV, and NPV were: PAD 82%, 100%, 100%, 23%; PAF 74%, 71%, 92%, 38%; PAA 51%, 85%, 69%, 72%; clinical 82%, 22%, 37%, 69%; clinical P‐MRI 96%, 8%, 37%, 80%. MRE interreader agreement for PAD was moderate (kappa = 0.51 [0.29–0.73]), fair for PAF and PAA.Data ConclusionUsing a standard technique, MRE can detect PAD with high specificity and moderate sensitivity in PIBD, missing some PAF and small PAA.Level of Evidence: 3Technical Efficacy: Stage 2J. Magn. Reson. Imaging 2018;47:1638–1645.
Prospective studies of the efficacy and safety of the picosecond 755, 1,064, and 532 nm lasers for the treatment of infraorbital dark circles
Authors: Vanaman Wilson Monique J. , Jones Isabela T. , Bolton Joanna , Larsen Lisa , Wu Douglas C. , Goldman Mitchel P. 
Published: November 2017

BackgroundInfraorbital dark circles result from a combination of factors. The fractionated picosecond 755 nm alexandrite laser and dual wavelength picosecond Nd:YAG laser have not been examined as a method of addressing infraorbital hyperpigmentation.ObjectiveTo determine the efficacy and safety of treatment of infraorbital dark circles using fractionated picosecond 755 nm and dual wavelength picosecond Nd:YAG laser.Methods and MaterialsThese trials did not utilize a comparative design; rather, these were separate, prospective, open‐label, evaluator‐blinded trials utilizing two treatment regimens: (i) 19 adult subjects were treated in a single session with the dual wavelengths of 532 nm and 1,064 nm in consecutive passes using the fractionated lens; (ii) 10 adult subjects were treated using the picosecond 755 nm laser via the fractionated lens in three treatment sessions at 3 week intervals. Subjects in both studies were followed‐up for blinded‐investigator assessment of infraorbital hyperpigmentation, adverse events, and improvement compared to baseline.ResultsThe dual wavelength picosecond Nd:YAG laser, blinded‐investigator assessment did not demonstrate a significant improvement in infraorbital hyperpigmentation at day 60 (P = 0.16). The picosecond 755 nm alexandrite laser significantly improved infraorbital hyperpigmentation by day 42, with improvement maintained through day 132 (P = 0.07 and 0.00001, respectively). Adverse events were mild and temporary.ConclusionA single treatment with the fractionated picosecond 1,064/532 nm lasers did not produce a significant improvement in infraorbital hyperpigmentation. A series of three treatments with the fractionated picosecond 755 nm laser resulted in significant improvement in hyperpigmentation. Lasers Surg. Med. 50:45–50, 2018. © 2017 Wiley Periodicals, Inc.
Maintenance of Cartilaginous Gene Expression of Serially Subcultured Chondrocytes on Poly(2‐Methoxyethyl Acrylate) Analogous Polymers
Authors: Hoshiba Takashi , Maruyama Hiroka , Sato Kazuhiro , Endo Chiho , Kawazoe Naoki , Chen Guoping , Tanaka Masaru 
Published: November 2017

AbstractChondrocytes are important for cartilage tissue engineering. However, dedifferentiation during chondrocyte subculture prevents the application of cartilage tissue engineering. Therefore, prevention of this dedifferentiation is required. Here, the possibility of poly(2‐methoxyethyl acrylate) (PMEA) and its analogous polymers, poly(tetrahydrofurfuryl acrylate) (PTHFA) and poly(2‐(2‐methoxyethoxy) ethyl acrylate‐co‐butyl acrylate) (PMe2A), for chondrocyte subculture without dedifferentiation is examined. Chondrocytes spread on PTHFA and polyethylene terephthalate (PET), whereas their spreading is delayed on PMEA and PMe2A. When primary chondrocytes are subcultured on these polymers, the expression levels of cartilaginous genes are higher on PMEA and PMe2A than on PET and PTHFA. Integrin contribution to the initial cell adhesion is lower on PMEA and PMe2A than on PTHFA and PET. This low level of integrin contribution to cell adhesion may cause a delay in cell spreading and the maintenance of cartilaginous gene expression. These results indicate that PMEA and PMe2A may be favorable substrates for chondrocyte subculture and cartilage tissue engineering.
The Deconstruction of Supramolecular Structures Based on Modular Precise Macromolecules
Authors: Hsu Chih‐Hao , Cheng Stephen Z. D. 
Published: November 2017

AbstractTo rationally design materials with desired properties, a modular approach based on volume‐ and shape‐persistent nanobuilding blocks has been demonstrated recently. Constructing hierarchical supramolecular structures which span several length and energy scales is crucial to transfer and amplify the functionality of nanobuilding blocks to the bulk materials. Determination of soft material self‐assembled structures thus plays a critical role in this approach; however, it is routinely the most time‐consuming step due to the case‐dependent sample preparation and insufficient number of X‐ray and electron diffractions for direct structure determination. A rational thinking pathway for supramolecular structure determination is proposed in this article with covering a variety of essential concepts for a systematic case study. The scope of this article aims to guide newcomers in this field and expedite the molecular design screening for establishing a concrete relationship between molecular design and material properties—a part of the materials genome initiative.
Semicrystalline Shape‐Memory Elastomers: Effects of Molecular Weight, Architecture, and Thermomechanical Path
Authors: Lee Hojun , Yang Jeh‐Chang , Thoppey Nagarajan , Anthamatten Mitchell 
Published: November 2017

AbstractPoly(caprolactone) networks are well‐studied shape‐memory polymers owing to their high fixity and recovery, their ability to store large amounts of elastic energy, and their tunable shape‐triggering temperature. To elucidate the influence of network structure on shape‐memory features, poly(caprolactone) networks are prepared by reacting different molecular weight diacrylate prepolymers with trifunctional (trimethylolpropane tris(3‐mercaptopropionate), 3T) or tetrafunctional (pentaerythritol tetrakis(3‐mercaptopropionate), 4T) crosslinkers. Networks from 4T crosslinkers generally exhibit higher gel fractions, more elastically active strands, and superior shape‐memory properties compared with networks from 3T. Melted elastomers exhibit stress–strain behavior well described by the neo‐Hookean model. How the state of crystallization during the cold‐drawing process has a large effect on the draw stress, the network's shape fixity, and its elastic storage capacity is shown. Finally, the working strain range of networks is evaluated. Cured elastomers prepared from prepolymers with different molecular weights can store and release large amounts of elastic energy (>2 MJ m−3), over different ranges of tensile strain.
Principal component reconstruction (PCR) for cine CBCT with motion learning from 2D fluoroscopy
Authors: Gao Hao , Zhang Yawei , Ren Lei , Yin Fang‐Fang 
Published: November 2017

PurposeThis work aims to generate cine CT images (i.e., 4D images with high‐temporal resolution) based on a novel principal component reconstruction (PCR) technique with motion learning from 2D fluoroscopic training images.MethodsIn the proposed PCR method, the matrix factorization is utilized as an explicit low‐rank regularization of 4D images that are represented as a product of spatial principal components and temporal motion coefficients. The key hypothesis of PCR is that temporal coefficients from 4D images can be reasonably approximated by temporal coefficients learned from 2D fluoroscopic training projections. For this purpose, we can acquire fluoroscopic training projections for a few breathing periods at fixed gantry angles that are free from geometric distortion due to gantry rotation, that is, fluoroscopy‐based motion learning. Such training projections can provide an effective characterization of the breathing motion. The temporal coefficients can be extracted from these training projections and used as priors for PCR, even though principal components from training projections are certainly not the same for these 4D images to be reconstructed. For this purpose, training data are synchronized with reconstruction data using identical real‐time breathing position intervals for projection binning. In terms of image reconstruction, with a priori temporal coefficients, the data fidelity for PCR changes from nonlinear to linear, and consequently, the PCR method is robust and can be solved efficiently. PCR is formulated as a convex optimization problem with the sum of linear data fidelity with respect to spatial principal components and spatiotemporal total variation regularization imposed on 4D image phases. The solution algorithm of PCR is developed based on alternating direction method of multipliers.ResultsThe implementation is fully parallelized on GPU with NVIDIA CUDA toolbox and each reconstruction takes about a few minutes. The proposed PCR method is validated and compared with a state‐of‐art method, that is, PICCS, using both simulation and experimental data with the on‐board cone‐beam CT setting. The results demonstrated the feasibility of PCR for cine CBCT and significantly improved reconstruction quality of PCR from PICCS for cine CBCT.ConclusionWith a priori estimated temporal motion coefficients using fluoroscopic training projections, the PCR method can accurately reconstruct spatial principal components, and then generate cine CT images as a product of temporal motion coefficients and spatial principal components.
TransitQA — A new method for transit dosimetry of Tomotherapy patients
Authors: Pisaturo Olivier , Miéville Frédéric , Tercier Pierre‐Alain , Allal Abdelkarim Said 
Published: November 2017

PurposeTransitQA is an innovative method for Tomotherapy transit dosimetry using the on‐board detector (OBD). Our previously published model for Tomotherapy treatment plan verification (AirQA) has been enhanced to take into account patient and couch transmission. AirQA estimates the OBD signal during irradiation with nothing in the beam path from the leaf control sinogram, allowing us to check whether the planned treatment is correctly delivered by the machine. TransitQA allows us to check the treatment delivery with the patient on the couch, potentially showing the effects of changes in the patient anatomy and delivery errors.MethodsPatient and couch transmission have been added to the model using the OBD projections of pretreatment megavoltage computed tomography (MVCT). The difference in the energy spectra between the imaging and treatment beams has been corrected by an exponent from the MVCT projections consisting of the ratio of the mass attenuation coefficients. This exponent has been found to not vary significantly with the atomic number Z, allowing us to apply this procedure to heterogeneous media, such as patients. The attenuated OBD projections acquired during the treatment are compared to the model via a signed global γ‐index analysis. The dose criterion was 5% of the 95th percentile of the dose distribution, and the distance to agreement (DTA) was 4 mm.ResultsOur method has been applied to a heterogeneous phantom with 98.1% of the points passing the γ‐evaluation test, showing that the model can predict the attenuated OBD projection. The method has been applied to two representative patients throughout the whole treatment, highlighting variations in the signal transmission and γ‐index.ConclusionThis paper establishes the proof‐of‐concept of transit dosimetry for all patients treated by Tomotherapy. Moreover, this method can be used as a surrogate for in vivo dosimetry.
Fourier‐based numerical approximation of the Weertman equation for moving dislocations
Authors: Josien Marc , Pellegrini Yves‐Patrick , Legoll Frédéric , Le Bris Claude 
Published: November 2017

SummaryThis work addresses the numerical approximation of solutions to a dimensionless form of the Weertman equation, which models a steadily moving dislocation and is an important extension (with advection term) of the celebrated Peierls‐Nabarro equation for a static dislocation. It belongs to the class of nonlinear reaction‐advection‐diffusion integro‐differential equations with Cauchy‐type kernel, thus involving an integration over an unbounded domain. In the Weertman problem, the unknowns are the shape of the core of the dislocation and the dislocation velocity. The proposed numerical method rests on a time‐dependent formulation that admits the Weertman equation as its long‐time limit. Key features are (1) time iterations are conducted by means of a new, robust, and inexpensive Preconditioned Collocation Scheme in the Fourier domain, which allows for explicit time evolution but amounts to implicit time integration, thus allowing for large time steps; (2) as the integration over the unbounded domain induces a solution with slowly decaying tails of important influence on the overall dislocation shape, the action of the operators at play is evaluated with exact asymptotic estimates of the tails, combined with discrete Fourier transform operations on a finite computational box of size L; (3) a specific device is developed to compute the moving solution in a comoving frame, to minimize the effects of the finite‐box approximation. Applications illustrate the efficiency of the approach for different types of nonlinearities, with systematic assessment of numerical errors. Converged numerical results are found insensitive to the time step, and scaling laws for the combined dependence of the numerical error with respect to L and to the spatial step size are obtained. The method proves fast and accurate and could be applied to a wide variety of equations with moving fronts as solutions; notably, Weertman‐type equations with the Cauchy‐type kernel replaced by a fractional Laplacian.
Facile Fabrication of Nanoparticles Stacked 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) Sub‐microspheres via Electrospray Deposition
Authors: Huang Chuan , Liu Jiahui , Ding Ling , Wang Dunju , Yang Zhijian , Nie Fude 
Published: November 2017

AbstractIn this study, nanoparticles stacked 2,6‐diamino‐3,5‐dinitropyrazine‐1‐oxide (LLM‐105) sub‐microspheres were successfully fabricated by electrospray deposition. These monodisperse sub‐microspheres with a diameter from 200–500 nm are composed of 50 nm nanoparticles, and after preserved six months these spheres retain the same structure and morphology. The effect of process parameter including flow rate and nozzle size on the size and morphology of sub‐microsphere is investigated. The results show that, for a given solution concentration the nozzle size has little effect while the flow rate shows a significant effect. The X‐ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT‐IR) results exhibit that the as‐prepared sub‐microspheres have the same crystal and chemical structure as the raw materials. The thermal behavior performed by simultaneous thermal analysis (TG‐DSC) verifies that in comparison to the raw materials sub‐microspheres have a lower onset degradation temperature.
A Safer Synthesis of 3,5‐Bis(dinitromethyl)‐1,2,4‐triazole (BDT) and Its Mono and Di Salts: High‐Performance Insensitive Energetic Materials
Authors: Dharavath Srinivas , Shreeve Jean'ne M. 
Published: November 2017

AbstractDesign and synthesis of new insensitive high‐performance energetic materials are significant because of the demands of both civilian and military applications. Now a straightforward route which does not necessitate the use of 1,1‐diamino‐2,2‐dinitroethene (FOX‐7) as a starting material has been developed to synthesize 3,5‐bis(dinitromethyl)‐1,2,4‐triazole (BDT) and its mono and dianion salts. The X‐ray structure of bis‐ triaminoguanidinium 3,5‐bis(dinitromethyl)‐1,2,4‐triazolate (10) further confirms the structure of this dianion. The gem dinitro carbon results in higher packing coefficients and extensive hydrogen bonding interactions. The experimental densities range from 1.66 to 1.93 g cm−3, detonation velocities from 8347 to 9086 ms−1, and pressures from 27.3 to 38.7 GPa, respectively. Some of these values are superior to those of current benchmark explosives, such as 1,3,5‐trinitroperhydro‐1,3,5‐triazine (RDX).