bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of pomegranate juice on clinical signs, matrix metalloproteinases and antioxidant status in patients with knee osteoarthritis
Authors: Ghoochani Nasrin , Karandish Majid , Mowla Karim , Haghighizadeh Mohammad Hossein , Jalali Mohammad Taha 
Published: January 2016

AbstractBACKGROUNDOsteoarthritis (OA) is one of the commonest forms of musculoskeletal disorders that leads to joint degeneration and has a major impact on patients' quality of life. Experimental and in vitro studies have suggested the protective roles of pomegranate juice (PJ) as a rich antioxidant source for mitigating cartilage inflammation. In this interventional study, 38 patients with knee OA were randomly divided into two groups: PJ or control for 6 weeks to evaluate the effect of this intervention on clinical signs, inflammation and antioxidant status.RESULTSSignificant decreases in Western Ontario and McMaster Universities Osteoarthritis index (WOMAC) total score (P = 0.01), stiffness score (P = 0.00) and physical function score (P = 0.01) were observed in PJ group after the intervention. The means of serum levels of matrix metalloproteinase (MMP)‐13 was significantly decreased (P = 0.02) and glutathione peroxidase was increased in the intervention group compared with the control group after the study period (P = 0.02).CONCLUSIONSAccording to the findings of this clinical trial, PJ consumption can improve physical function and stiffness, decrease breakdown cartilage enzymes and increase antioxidant status in patients with knee OA. © 2016 Society of Chemical Industry
Prognostic factors in alveolar soft part sarcoma: A SEER analysis
Authors: Wang Haotong , Jacobson Alex , Harmon David C. , Choy Edwin , Hornicek Francis J. , Raskin Kevin A. , Chebib Ivan A. , DeLaney Thomas F. , Chen Yen‐Lin E. 
Published: January 2016

ObjectivesWe reviewed the clinical characteristics and outcomes of patients treated for alveolar soft part sarcoma (ASPS) and analyzed the effect of surgery for patients presenting with and without metastatic disease (DM).MethodsThe SEER Registry was queried for patients with ASPS from 1973–2012. The Kaplan–Meier estimate and Cox proportional hazards were used to analyze survival outcomes and risk variables.ResultsAmong 251 patients, 43% had DM and 67% locoregional disease (LR) on presentation. The 5‐year overall survival (OS) for all patients was 56% (82% and 27% for LR and DM, respectively). Multivariate analysis identified older age (hazard ratio [HR] = 1.03 per year, P < 0.001), tumor size >10 cm (HR = 2.76, P = 0.013), DM at diagnosis (HR = 3.79, P < 0.001), and truncal primary site (HR = 1.63, P = 0.035) as independent factors predicting worse OS. For LR patients, surgery plus radiotherapy (RT) resulted in better OS compared to surgery alone P = 0.014. For DM patients, primary site surgery significantly improved survival (P < 0.001).ConclusionASPS presents with high metastasis rate but has a relatively indolent clinical course and a favorable prognosis with prolonged survival. Aggressive treatment using adjuvant RT with surgery is indicated in patients with LR disease and surgery is indicated in patients presenting with DM. J. Surg. Oncol. 2016;113:581–586. © 2016 Wiley Periodicals, Inc.
Tertiary Butyl Nitrite Triggered Nitration of Phenols: Solvent‐ and Structure‐Dependent Kinetic Study
Authors: Kumar M. Satish , Rajanna K. C. , Venkateswarlu M. , Rao K. Lakshman 
Published: January 2016

ABSTRACTNitration of phenols with tertiary butyl nitrite (TBN) obeyed second‐order kinetics with a first‐order dependence on [TBN] and [phenol] under acid‐free conditions. Reaction rates were significantly altered by a change in the dielectric constant and other physical properties of solvent. The rate of nitration increased with an increase in temperature (303–323 K) in different solvent media (acetonitrile, dichloroethane, CCl4, dimethyl formamide (DMF), and toluene). The rates of nitration (log k) could not fit into either Amis or Kirkwood plots [log k’ vs. (1/D) or [(D – 1)/(2D + 1)], but the trends were better explained by the basic form of multivariate linear solvent energy relationships (MLSER) suggested by the Koppel and Palm approach on the one hand and the Kamlet and Taft approach on the other hand. These observations probably substantiate that cumulative contributions of basic solvent parameters (equilibrium as well as frictional solvent effects) and solvent–solute interactions for solvation of transition state during nitration of phenols. Reaction rates accelerated with the introduction of electron‐donating groups and retarded with electron‐withdrawing groups. Accordingly, the reactivity of structurally different phenols was found to follow the following sequence: p‐OH > p‐MeO > p‐Me > H > m‐Me > p‐Cl > p‐Br > m‐Cl > p‐NO2 > m‐OH. The results are interpreted by Hammett's theory of linear free energy relationship. The reaction constant (Hammett's ρ) is a measure of the sensitivity of the reaction toward the electronic effects of the substituent. The rho (ρ) values obtained from the present experiments are fairly large negative values (ρ < 0), indicating attack of an electrophile on the aromatic ring. An increase in temperature decreases the reaction constant (ρ) values. According to Exner, ρ values for a given reaction are influenced by the temperature according to the following relation: ρ = A [1 – β/T]. Obtained “isokinetic temperature (β)” values are in the range of 225–290. These values are far below the experimental temperature range (303–323 K), indicating that the entropy factors are probably more important in controlling the reaction. This point can be seen from the negative entropy values and linearity of multiple linear regression analysis (MLRA). Furthermore, in the present study, rate constants for TBN nitration of ortho‐substituted phenols could not fit into Taft's plots of log(k/kCH3) versus σ* or, Es or combined Taft's relationship. However, Charton's MLRA of the log k with polar, resonance, steric, hydrophobicity, and molar refractivity showing a very good linear relationship was obtained. It is of interest to note that when log kexp values are correlated with log kcal a perfect linearity is obtained with a correlation coefficient of unity, indicating the consonance between experimental and calculated rate constants in the present work.
A population‐based study on the association between chronic periodontitis and sialolithiasis
Authors: Hung Shih‐Han , Huang Hung‐Meng , Lee Hsin‐Chien , Ching Lin Herng , Kao Li‐Ting , Wu Chuan‐Song 
Published: January 2016

Objectives/HypothesisWhereas the impression that poor oral hygiene is linked to the development of sialolithiasis may be widely accepted, very few studies provide evidence to support this. This study therefore aimed to evaluate the association between chronic periodontitis (CP) and the subsequent development of salivary gland stone based on a nationwide coverage database.Study DesignA case‐control study.MethodsA total of 987 subjects with sialolithiasis were included as cases. In a ratio of five controls per case, 4,935 controls matched in terms of sex and age group were selected. Conditional logistic regression analysis was performed to determine the possible association of sialolithiasis with previously diagnosed CP.ResultsThe prevalence of prior CP between cases and controls demonstrated that 1,831 (30.9%) out of the 5,922 sampled subjects had prior CP. By Chi‐square test, there was a significant difference in the prevalence of prior CP between the cases and controls (36.8% vs. 29.7%, P < 0.001). By conditional logistic regression analysis, the odds ratio (OR) of prior CP for cases was 1.37 (95% confidence interval [CI], 1.19–1.56) compared to the controls after adjusting for geographic location and tobacco use. Further analyzing the relationship between sialolithiasis and prior CP according to sex, sialolithiasis was associated with prior CP regardless of sex. The adjusted OR of prior CP for the cases was 1.34 (95% CI, 1.10–1.64) and 1.41 (95% CI, 1.15–1.73) for males and females, respectively, when compared to controls.ConclusionThis study demonstrates an association between CP and sialolithiasis.Level of Evidence3b. Laryngoscope, 126:847–850, 2016
Mixed Micelles for Targeted and Efficient Doxorubicin Delivery to Multidrug‐Resistant Breast Cancer Cells
Authors: Jung Heesun , Mok Hyejung 
Published: January 2016

For efficient treatment of multidrug‐resistance (MDR) breast cancer cells, design of biocompatible mixed micelles with diverse functional moieties and superior stability is needed for targeted delivery of chemical drugs. In this study, polypropylene glycol (PPG)‐grafted hyaluronic acid (HA) copolymers (PPG‐g‐HA) are used to make mixed micelles with different amounts of pluronic L61, named PPG‐g‐HA/L61 micelles. Optimized PPG‐g‐HA/L61 micelles with 3% pluronic L61 exhibit great stability in aqueous solution, superior biocompatibility, and significantly increased uptake into MCF‐7 MDR cells via HA–CD44‐specific interactions when compared to free doxorubicin (DOX) and other types of micelles. In addition, DOX in PPG‐g‐HA/L61 micelles with 3% pluronic L61 have toxicity in MCF‐7 MDR cells but significantly lower toxicity in fibroblast L929 cells compared to free DOX. Thus, PPG‐g‐HA/L61 micelles with 3% pluronic L61 content can be a promising nanocarrier to overcome MDR and release DOX in a hyaluronidase‐sensitive manner without any toxicity to normal cells.
image
A chronic care ostomy self‐management program for cancer survivors
Authors: Krouse Robert S. , Grant Marcia , McCorkle Ruth , Wendel Christopher S. , Cobb Martha D. , Tallman Nancy J. , Ercolano Elizabeth , Sun Virginia , Hibbard Judith H. , Hornbrook Mark C. 
Published: January 2016

AbstractBackgroundIndividuals with ostomies experience extensive changes in health‐related quality of life (HRQOL) and daily routine. Patients and families are typically forced to use trial and error to improve self‐management.MethodsThis is a longitudinal one‐group design pilot study of a five‐session ostomy self‐care curriculum based on the Chronic Care Model to improve HRQOL and self‐management for cancer survivors with ostomies. Participants were surveyed to evaluate each session. Multiple instruments were administered to examine outcomes at baseline, post‐intervention, and at 6‐month follow‐up (Patient Activation Measure, self‐efficacy, Hospital Anxiety and Depression Scale, Ways of Coping, Group Health Association of America Satisfaction with ostomy care survey, and the City of Hope Quality of Life Ostomy). Changes from pre‐intervention to post‐intervention and pre‐intervention to follow‐up were evaluated with paired t‐tests. Text responses were coded and evaluated for important themes and recommendations.ResultsThirty‐eight subjects participated in the study. Most had a history of rectal cancer (60.5%) or bladder cancer (28.9%). Participants rated the overall program high (4.4–4.8 on 5‐point scale). Text feedback indicated that participants enjoyed the group forums, wanted more participants, and more hands‐on training. Scores on multiple surveys were shown to be improved and sustained, including patient activation (p = 0.0004), self‐efficacy (p = 0.006), total HRQOL (p = 0.01), physical well‐being (p = 0.005), and social well‐being (p = 0.002). Survivor anxiety was significantly reduced by follow‐up (p = 0.047).ConclusionsThis self‐management ostomy program can help cancer survivors with ostomies adapt to their stoma. Initiating this program in the community setting would be beneficial to many cancer survivors. Copyright © 2016 John Wiley & Sons, Ltd.
How does the chemical potential of the substrate drive a uniporter?
Authors: Zhang Xuejun C. , Han Lei 
Published: January 2016

AbstractUniporters are a large class of transporters mediating facilitated diffusion of substrates along the direction of the substrate concentration gradient. Recently, structures of several important uniporters have been reported; however, the precise mechanisms of uniporter function remain subject of debate. Here, we present a series of general thermodynamic descriptions of uniporters, aimed at understanding the structure‐function relationship of uniporters, and in particular to reconcile biochemical phenomena of uniporters with our previously proposed thermodynamic model of general transporters.
Selection on protein structure, interaction, and sequence
Authors: Chi Peter B. , Liberles David A. 
Published: January 2016

AbstractCharacterizing the probabilities of observing amino acid substitutions at specific sites in a protein over evolutionary time is a major goal in the field of molecular evolution. While purely statistical approaches at different levels of complexity exist, approaches rooted in underlying biological processes are necessary to characterize both the context‐dependence of sequence changes (epistasis) and to extrapolate to sequences not observed in biological databases. To develop such approaches, an understanding of the different selective forces that act on amino acid substitution is necessary. Here, an overview of selection on and corresponding modeling of folding stability, folding specificity, binding affinity and specificity for ligands, the evolution of new binding sites on protein surfaces, protein dynamics, intrinsic disorder, and protein aggregation as well as the interplay with protein expression level (concentration) and biased mutational processes are presented.
Dynamics of the Tec‐family tyrosine kinase SH3 domains
Authors: Roberts Justin M. , Tarafdar Sreya , Joseph Raji E. , Andreotti Amy H. , Smithgall Thomas E. , Engen John R. , Wales Thomas E. 
Published: January 2016

AbstractThe Src Homology 3 (SH3) domain is an important regulatory domain found in many signaling proteins. X‐ray crystallography and NMR structures of SH3 domains are generally conserved but other studies indicate that protein flexibility and dynamics are not. We previously reported that based on hydrogen exchange mass spectrometry (HX MS) studies, there is variable flexibility and dynamics among the SH3 domains of the Src‐family tyrosine kinases and related proteins. Here we have extended our studies to the SH3 domains of the Tec family tyrosine kinases (Itk, Btk, Tec, Txk, Bmx). The SH3 domains of members of this family augment the variety in dynamics observed in previous SH3 domains. Txk and Bmx SH3 were found to be highly dynamic in solution by HX MS and Bmx was unstructured by NMR. Itk and Btk SH3 underwent a clear EX1 cooperative unfolding event, which was localized using pepsin digestion and mass spectrometry after hydrogen exchange labeling. The unfolding was localized to peptide regions that had been previously identified in the Src‐family and related protein SH3 domains, yet the kinetics of unfolding were not. Sequence alignment does not provide an easy explanation for the observed dynamics behavior, yet the similarity of location of EX1 unfolding suggests that higher‐order structural properties may play a role. While the exact reason for such dynamics is not clear, such motions can be exploited in intra‐ and intermolecular binding assays of proteins containing the domains.
Static and dynamic properties of [hkl] low‐symmetry trilayers
Authors: Celino K. R. , Costa C. H. , Bezerra C. G. , Chesman C. 
Published: January 2016

AbstractWe present a theoretical study about the influence of magneto‐crystalline anisotropies on the static and dynamic magnetic properties of trilayers coupled via bilinear and biquadratic exchange fields for situations in which the systems are grown in unusual [hkl] low‐symmetry directions. We apply a realistic phenomenological model, with a total free magnetic energy that includes Zeeman interaction and magneto‐crystalline anisotropies as well as exchange energy terms. We consider parameters from the literature to illustrate our results for Fe/Cr/Fe systems. In particular, a total of six different magnetic scenarios for the [211] and [321] low‐symmetry growth orientations and three sets of exchange fields were analyzed, and the associated magnetization, magnetoresistance, and spin‐wave frequencies were calculated. Our results show that the combination of magneto‐crystalline symmetries and exchange fields leads to various interesting properties, including different values of the saturation field for the magnetization and magnetoresistance curves. Regarding the spin‐wave modes, we observed the presence of Goldstone modes, associated with second‐order phase transitions, resulting from the competition between the Zeeman and biquadratic energies.
Influence of Processing Conditions on the Performance of Cu2ZnSnS4 Nanocrystal Solar Cells
Authors: Kida Tetsuya , Horita Keisuke , Suehiro Satoshi , Yuasa Masayosh , Quitain Armando T. , Tanaka Tooru , Fujita Katsuhiko , Ishiwata Yoichi , Shimanoe Kengo 
Published: January 2016

AbstractQuaternary Cu2ZnSnS4 is a promising solar cell material because of its narrow band gap, high light absorption coefficient, and low cost. It is known that the composition of Cu2ZnSnS4 largely influences the solar cell performance. Here, to study the composition dependent properties of Cu2ZnSnS4 NCs as a solar cell material, we synthesized oleylamine‐capped Cu2ZnSnS4 NCs with different compositions by a one‐pot solution process, and fabricated solar cells with a ITO/ZnO/CdS/Cu2ZnSnS4/Au structure, and photoelectrochemical cells. A photovoltaic device using Cu2ZnSnS4 NCs with Cu/ (Zn + Sn)=0.87 showed the best performance among the devices tested. To improve the performance, the NC film fabrication processes were modified. We found that ligand stripping with BF3:OEt2 and the subsequent annealing at 250 °C in N2 improved the power conversion efficiency from 0.06 to 0.14 %, most likely due to efficient stripping of surface insulating organic layers. The photocurrent response of a photoelectrochemical cell using the Cu2ZnSnS4 NCs deposited on a ITO substrate was also improved by the modified NC film fabrication processes.
Interchromophore [2+2]photocycloaddition vs. intrachromophore C‐N photocyclization in bis–styrylbenzoquinoline dyad
Authors: Budyka Mikhail F. , Gavrishova Tatiana N. , Potashova Natalia I. 
Published: January 2016

AbstractPhotophysical and photochemical properties of a novel bichromophoric dyad (EE‐D), where two 3‐styrylbenzo[f]quinoline chromophoric groups (trans‐isomers) are connected by an ortho‐xylylene group, in comparison with the model compound trans‐3‐(3‐methoxystyryl)benzo[f]quinoline (E‐MSBQ), are investigated. The main photochemical reaction of the E‐MSBQ is trans → cis photoisomerization with subsequent intrachromophoric C−N photocyclization and oxidation to a derivative of 12b‐azonia‐benzo[c]chrysene (ABC). In contrast to the E‐MSBQ, upon irradiation of the EE‐D, in addition to photoisomerization, interchromophoric [2+2]photocycloaddition takes place and results in formation of a cyclobutane (CB) derivative. Due to reversibility of photoisomerization, under irradiation, both the E‐MSBQ and the EE‐D can be completely transformed to the ABC and CB derivatives, respectively. DFT calculations taking into account dispersion interactions (hybrid functional M06‐2X) allow explanation of the effective stereospecific [2+2]photocycloaddition in the dyad EE‐D by π‐stacking that orients two SBQ groups head‐to‐head and promotes formation of a single CB isomer.
Synthesis of Mono‐Imido Tungsten Complexes Directly from WCl6
Authors: George Sheby Mary , Han Jeong Hwan , Park Bo Keun , Kim Chang Gyoun , Jang Hongseok , Lee Kangyong , Yim Sangjun , Lee Sang‐ick , Kim Myongwoon , Chung Taek‐Mo 
Published: January 2016

AbstractA new series of tungsten complexes were prepared using WCl6, N‐tert‐butyltrimethylsilylamine, and amide ligands as potential precursors for WNx thin film deposition. The complexes [W(NtBu)(NMe2)4] (2), [W(NtBu)(MeNCH2CH2NMe)2] (3), [W(NtBu)(MeNCH2CH2CH2NMe)2] (4), [W(NtBu)(iPrNCH2CH2NiPr)2] (5), and [W(NtBu)(tBuNCH2CH2NtBu)2] (6) were prepared by a two‐step process. First, the controlled reaction between WCl6 and N‐tert‐butyltrimethylsilylamine afforded the complex [W(NtBu)Cl4(py)] (1) from which the substitution of chloride ions with the corresponding amide ligands gave complexes 2–6. Single crystal X‐ray crystallography showed that complex 1 crystalized in the triclinic space group P‐1 with an octahedral structure. Among complexes 2–6, complexes 4 and 5 exhibited good volatility and stability.
β‐Meso Covalently linked AzaBODIPY‐Pd(II) Dipyrrin Conjugate
Authors: Kumar Ankit , Kumar Sunit , Chatterjee Tamal , Ravikanth Mangalampalli 
Published: January 2016

AbstractThe first example of azaBODIPY‐metal dipyrrin conjugate such as covalently linked azaBODIPY‐Pd(II) dipyrrin conjugate where the meso‐carbon of Pd(II) dipyrrin moiety was linked to β‐pyrrole carbon of azaBODIPY moiety was synthesized over sequence of facile steps under simple reaction conditions. The compound azaBODIPY‐Pd(II) dipyrrin conjugate is freely soluble in common organic solvents and characterized by HR‐MS, 1D & 2D NMR, X‐ray crystallography, absorption, fluorescence and electrochemical techniques. The X‐ray structure revealed that the azaBODIPY and Pd(II) dipyrrin moieties are almost orthogonal to each other with a dihedral angle of 80°. The spectral and electrochemical studies supported weak interaction between azaBODIPY and Pd(II) dipyrrin moieties in conjugate and marginally influences each other's electronic properties.
Gold‐NHC complexes as potent bioactive compounds
Authors: Al‐Majid Abdullah M. , Yousuf Sammer , Choudhary M. Iqbal , Nahra Fady , Nolan Steven P. 
Published: January 2016

AbstractThis report describes the evaluation of the biological activities of 13 gold‐NHC complexes. These complexes were evaluated in vitro for their antioxidant properties, α‐glucosidase, thymidine phosphorylase, β‐glucuronidase and xanthine oxidase enzyme inhibition activities. Among the tested complexes, those bearing chloride ligands were found to be potent antioxidant, α‐glucosidase, thymidine phosphorylase, β‐glucuronidase and xanthine oxidase enzyme inhibitors, showing several hundred fold higher activity than the standard drugs. Some of these complexes were found to be potent antileishmanial agents, which were superior to standard antileishmanil drugs. These gold complexes were also evaluated for their in vitro cytotoxic activity against PC‐3 (normal cells), HeLa (cervical cancer), MCF‐3 (breast cancer) and 3T3 (mouse fibroblast) cell lines.