bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the effects of double mutation C30A/C75A on onconase structure: Studies at atomic resolution
Authors: Kurpiewska Katarzyna , Torrent Gerard , Ribó Marc , Loch Joanna I. , Vilanova Maria , Lewiński Krzysztof 
Published: September 2013

ABSTRACTThe structure of onconase C30A/C75A double mutant has been determined at 1.12Å resolution. The structure has high structural homology to other onconase structures. The changes being results of mutation are relatively small, distributed asymmetrically around the two mutated positions, and they are observed not only in the mutation region but expanded to entire molecule. Different conformation of Lys31 side chain that influences the hydrogen bonding network around catalytic triad is probably responsible for lower catalytic efficiency of double mutant. The decrease in thermal stability observed for the onconase variant might be explained by a less dense packing as manifested by the increase of the molecular volume and the solvent accessible surface area. © 2013 Wiley Periodicals, Inc. Biopolymers 101: 454–460, 2014.
Investigation on interaction of tannic acid with type I collagen and its effect on thermal, enzymatic, and conformational stability for tissue engineering applications
Authors: Velmurugan Punitha , Singam Ettayapuram Ramaprasad Azhagiya , Jonnalagadda Raghava Rao , Subramanian Venkatesan 
Published: September 2013

ABSTRACTCollagen is an essential component of tissues, which is the most abundant component in extracellular matrix and highly conserved across the animal kingdom. It can assemble into fiber and play an essential role in cell adhesion and growth and could be extremely useful in tissue engineering. In this study, the effect of tannic acid (TA) on the thermal, enzymatic and conformational stability of type I collagen has been investigated for the development of collagen‐based biomaterials. Interaction of TA with collagen demonstrates the role of hydrogen bonding and hydrophobic interaction in providing the thermal and enzymatic stability. Thermal analysis studies reveal that, hydrothermal stability of collagen increases as well as inhibits the breakdown of collagenase by formation of hydrogen bonds and hydrophobic interactions. TA binds to the collagen with high affinity because the structural flexibility of the collagen compensates for the structural rigidity of the phenolics. Increase in concentration of TA induces significant change in the conformation of triple helix. The free binding energy of TA with collagen‐like peptide was determined to be in the range of −9.4 to −11.2 kcal mol−1, which was calculated by using Autodock Vina software and showed numerous hydrophobic and hydrogen bond interactions. We anticipate that these collagen‐based biomaterials hold great potential for biomedical applications. © 2013 Wiley Periodicals, Inc. Biopolymers 101: 471–483, 2014.
An LC‐MS/MS method for determination of curculigoside with anti‐osteoporotic activity in rat plasma and application to a pharmacokinetic study
Authors: Zhao Guang , Yuan Fusheng , Zhu Jiajun 
Published: September 2013

ABSTRACTA rapid, simple, selective and sensitive LC‐MS/MS method was developed for the determination of curculigoside in rat plasma. The analytical procedure involves extraction of curculigoside and syringin (internal standard, IS) from rat plasma with a one‐step extraction method by protein precipitation. The chromatographic resolution was performed on an Agilent XDB‐C18 column (4.6 × 50 mm, 5 µm) using an isocratic mobile phase of methanol with 0.1% formic acid and H2O with 0.1% formic acid (45:55, v/v) at a flow rate of 0.35 mL/min with a total run time of 2.0 min. The assay was achieved under the multiple‐reaction monitoring mode using positive electrospray ionization. Method validation was performed according to US Food and Drug Administration guidelines and the results met the acceptance criteria. The calibration curve was linear over 4.00–4000 ng/mL (R = 0.9984) for curculigoside with a lower limit of quantification of 4.00 ng/mL in rat plasma. The intra‐ and inter‐day precisions and accuracies were 3.5–4.6 and 0.7–9.1%, in rat plasma, respectively. The validated LC‐MS/MS method was successfully applied to a pharmacokinetic study of curculigoside in rats after a single intravenous and oral administration of 3.2 and 32 mg/kg. The absolute bioavailability of curculigoside after oral administration was 1.27%. Copyright © 2013 John Wiley & Sons, Ltd.
Single‐Molecule Unzipping Force Analysis of HU–DNA Complexes
Authors: Dame Remus T. , Hall Michael A. , Wang Michelle D. 
Published: September 2013

AbstractThe genome of bacteria is organized and compacted by the action of nucleoid‐associated proteins. These proteins are often present in tens of thousands of copies and bind with low specificity along the genome. DNA‐bound proteins thus potentially act as roadblocks to the progression of machinery that moves along the DNA. In this study, we have investigated the effect of histone‐like protein from strain U93 (HU), one of the key proteins involved in shaping the bacterial nucleoid, on DNA helix stability by mechanically unzipping single dsDNA molecules. Our study demonstrates that individually bound HU proteins have no observable effect on DNA helix stability, whereas HU proteins bound side‐by‐side within filaments increase DNA helix stability. As the stabilizing effect is small compared to the power of DNA‐based motor enzymes, our results suggest that HU alone does not provide substantial hindrance to the motor's progression in vivo.
The impact of main branch restenosis on long term mortality following drug‐eluting stent implantation in patients with de novo unprotected distal left main bifurcation coronary lesions: The Milan and New‐Tokyo (MITO) registry
Authors: Takagi Kensuke , Ielasi Alfonso , Basavarajaiah Sandeep , Chieffo Alaide , Shannon Joanne , Godino Cosmo , Hasegawa Tasuku , Naganuma Toru , Fujino Yusuke , Latib Azeem , Carlino Mauro , Montorfano Matteo , Nakamura Sunao , Colombo Antonio 
Published: September 2013

BackgroundIn‐stent restenosis (ISR) remains one of the main limitations for percutaneous coronary intervention of unprotected distal left main (UDLM). This study aims to demonstrate the impact of main‐branch ISR (MB‐ISR) on mortality and to clarify the optimal strategy.MethodsBetween 2002 and 2008, 482 consecutive UDLM patients treated with drug eluting stent (sirolimus and paclitaxel) were evaluated.ResultsDuring follow‐up period (median 52.6 months), MB‐ISR occurred in 29, SB‐ISR in 65, and MB/SB‐ISR in 24. Multivariable analysis demonstrated that the independent predictors of MB‐ISR were calcification (HR 2.284, p = 0.016), true‐bifurcation (HR 2.331, p = 0.024), insulin‐dependent diabetes mellitus (insulin‐DM) (HR 2.259, p = 0.048). Furthermore, final proximal postdilatation (FPPD) (HR 0.548, p = 0.077), full LM cover approach (FCA) (HR 0.605, p = 0.093) and greater MLD (HR 0.611, p = 0.062) had a tendency to reduce MB‐ISR. Furthermore, the occurrence of MB‐ISR within 1‐year was associated with cardiac‐death (HR 2.734, p = 0.017).ConclusionsThe patients with MB‐ISR had more comorbidities and complex lesions, resulting in higher risk of cardiac mortality as compared to the patients without MB‐ISR. Presence of calcification, true‐bifurcation and insulin‐DM were associated with MB‐ISR following UDLM intervention, while FCA, FPPD, and greater MLD seemed to be associated with the low occurrence of MB‐ISR. © 2013 Wiley Periodicals, Inc.
Safety and efficacy metrics for primary nitinol stenting in femoropopliteal occlusive disease: A meta‐analysis and critical examination of current methodologies
Authors: Vardi Moshe , Novack Victor , Pencina Michael J. , Doros Gheorghe , Burke David A. , Elmariah Sammy , Cutlip Donald E. , Mauri Laura , Yeh Robert W. 
Published: September 2013

BackgroundThe efficacy and safety of primary stenting for superficial femoral artery (SFA) disease have been benchmarked against historically derived performance goals. However, contemporary evidence evaluating SFA stenting is accumulating. The objective of this systematic review and meta‐analysis was to quantitatively assess outcomes after primary SFA stenting with nitinol stents in contemporary practice, to compare these rates with commonly used efficacy and safety goals, and to discuss the clinical and regulatory implications of these findings.Methods and ResultsWe searched MEDLINE, the US Food and Drug Administration (FDA) website, reference lists of qualifying articles, and conference proceedings until October 2012. Studies prospectively assessing primary nitinol stenting for diseased SFA were sought. Data from 11 prospective clinical trials were included. The twelve‐month primary patency (PP) rate was reported in five trials. The meta‐analytic 12‐month PP rate was 71.6% (95% confidence interval [CI] 66.4–76.7%). The meta‐analytic rate of 30‐day freedom from a composite of death, target limb amputation, and reintervention was 99.9% (95% CI 100.0–90.0%).ConclusionContemporary nitinol‐based bare‐metal stents performed well in controlled settings. Occurrence of the 1‐month composite safety endpoint was extremely uncommon. © 2013 Wiley Periodicals, Inc.
Midterm follow‐up results of transcatheter treatment in patients with unroofed coronary sinus
Authors: Wang Jou‐Kou , Chen Shy‐Jye , Hsu Jui‐Yu , Lin Su‐Man , Lin Ming‐Tai , Chiu Shuenn‐Nan , Chen Chun‐An , Wu Mei‐Hwan 
Published: September 2013

Objective: We present the midterm results of transcatheter treatment of unroofed coronary sinus (CS) using the Amplatzer septal occluder.Background: The unroofed CS is a rare atrial septal defect communicating the left atrium and CS. Surgery has been the mainstay of treatment.Methods: In a 4.5‐year period, nine patients (five males) with ages ranging from 26 to 69 years (median 39 years) diagnosed with an unroofed CS but without a persistent left superior vena cava (LSVC) underwent transcatheter treatment. Computerized tomography (CT) was performed in eight patients. Transesophageal echocardiography (TEE) was used to monitor the procedure.Results: The mean Qp/Qs ratio was 2.4 ± 1 and mean systolic pulmonary artery pressure was 35 ± 19 mm Hg. An Amplatzer septal occluder was deployed in all nine patients. The device was implanted in the defect in one patient and at the CS ostium in the other eight patients. The median device size used was 22 mm (16–28 mm). The left disc herniated into the CS in the single patient in whom the device was implanted within the defect. All patients were available for the 3‐month follow‐up. None had a residual shunt on the 3‐month follow‐up echocardiography. One patient died of a stroke 4.5 months after the procedure. At mean follow‐up of 42.6 ± 18.3 months, symptomatic improvement was documented in the remaining eight patients. All eight patients had an O2 saturation above 96%.Conclusion: Transcatheter treatment for unroofed CS without persistent LSVC using Amplatzer septal occluder is safe and feasible. © 2013 Wiley Periodicals, Inc.
Synthesis and Characterization of Luminescent Cyclometalated Platinum(II) Complexes of 1,3‐Bis‐Hetero‐Azolylbenzenes with Tunable Color for Applications in Organic Light‐Emitting Devices through Extension of π Conjugation by Variation of the Heteroatom
Authors: Chan Alan Kwun‐Wa , Lam Elizabeth Suk‐Hang , Tam Anthony Yiu‐Yan , Tsang Daniel Ping‐Kuen , Lam Wai Han , Chan Mei‐Yee , Wong Wing‐Tak , Yam Vivian Wing‐Wah 
Published: September 2013

AbstractA series of luminescent cyclometalated platinum(II) complexes of N^C^N ligands [N^C^N=2,6‐bis(benzoxazol‐2′‐yl)benzene (bzoxb), 2,6‐bis(benzothiazol‐2′‐yl)benzene (bzthb), and 2,6‐bis(N‐alkylnaphthoimidazol‐2′‐yl)benzene (naphimb)] has been synthesized and characterized. Two of the platinum(II) complexes have been structurally characterized by X‐ray crystallography. Their electrochemical, electronic absorption, and luminescence properties have been investigated. In dichloromethane solution at room temperature, the cyclometalated N^C^N platinum(II) complexes exhibited rich luminescence with well‐resolved vibronic‐structured emission bands. The emission energies of the complexes are found to be closely related to the electronic properties of the N^C^N ligands. By varying the electronic properties of the cyclometalated ligands, a fine‐tuning of the emission energies can be achieved, as supported by computational studies. Multilayer organic light‐emitting devices have been prepared by utilizing two of these platinum(II) complexes as phosphorescent dopants, in which a saturated yellow emission with Commission International de I′Eclairage coordinates of (0.50, 0.49) was achieved.
Supramolecular Assembly of Interfacial Nanoporous Networks with Simultaneous Expression of Metal–Organic and Organic‐Bonding Motifs
Authors: Vijayaraghavan Saranyan , Ecija David , Auwärter Willi , Joshi Sushobhan , Seufert Knud , Drach Mateusz , Nieckarz Damian , Szabelski Paweł , Aurisicchio Claudia , Bonifazi Davide , Barth Johannes V. 
Published: September 2013

AbstractThe formation of 2D surface‐confined supramolecular porous networks is scientifically and technologically appealing, notably for hosting guest species and confinement phenomena. In this study, we report a scanning tunneling microscopy (STM) study of the self‐assembly of a tripod molecule specifically equipped with pyridyl functional groups to steer a simultaneous expression of lateral pyridyl–pyridyl interactions and Cu–pyridyl coordination bonds. The assembly protocols yield a new class of porous open assemblies, the formation of which is driven by multiple interactions. The tripod forms a purely porous organic network on Ag(111), phase α, in which the presence of the pyridyl groups is crucial for porosity, as confirmed by molecular dynamics and Monte Carlo simulations. Additional deposition of Cu dramatically alters this scenario. For submonolayer coverage, three different porous phases coexist (i.e., β, γ, and δ). Phases β and γ are chiral and exhibit a simultaneous expression of lateral pyridyl–pyridyl interactions and twofold Cu–pyridyl linkages, whereas phase δ is just stabilized by twofold Cu–pyridyl bonds. An increase in the lateral molecular coverage results in a rise in molecular pressure, which leads to the formation of a new porous phase (ε), only coexisting with phase α and stabilized by a simultaneous expression of lateral pyridyl–pyridyl interactions and threefold Cu–pyridyl bonds. Our results will open new avenues to create complex porous networks on surfaces by exploiting components specifically designed for molecular recognition through multiple interactions.
Strong Reactivity Enhancement through Molecular Traffic Control in Zeolites
Authors: Chatterjee Sakuntala , Harish Ramanna , Schütz Gunter M. 
Published: September 2013

AbstractIn the past, the investigation of catalytic reactivity enhancement through molecular traffic control (MTC) by means of dynamical Monte Carlo simulations of catalysis was initiated in simple, idealized zeolite channel networks. These results are reviewed here and, emphasizing more recent work, the conditions of reactivity enhancement through MTC are examined for a realistic channel topology based on the pore structure of the zeolite TNU‐9. For a wide range of reaction rates a very strong MTC effect can be found that increases with grain size. This effect is argued to be a generic feature of a certain class of zeolite pore topologies.
Screening for people with glucose metabolism disorders within the framework of the DEMOJUAN project (DEMOnstration area for primary prevention of type 2 diabetes, JUAN Mina and Barranquilla, Colombia)
Authors: Barengo Noël C. , Acosta Tania , Arrieta Astrid , Ricaurte Carlos , Mayor Diana , Tuomilehto Jaakko O. ,   the DEMOJUAN study group
Published: September 2013

AbstractBackgroundUntil now, no systematic screening for T2D or prevention activities targeting T2D has been implemented in Colombia. The aims of this study were i) describe the feasibility of implementing the Finnish Diabetes Risk Score (FINDRISC) as a screening tool for glucose metabolism disorders (GMD) in the primary health care system in Barranquilla in Colombia during 2011 and 2012, and ii) to describe the risk factors for T2D in the population screened.MethodsThis screening was opportunistic among people aged 34‐60 years living in five primary health care catchment areas in Barranquilla, Colombia. People with 13 or more FINDRISC points were invited to an oral glucose tolerance test (OGTT).ResultsOut of 14193 participants with the FINDRISC completed, 35% (n=4915) had a score of 13 points or higher (men 23%, women 40%). Among those with FINDRISC completed, the percentage of people with BMI<25 kg/m2 was 46% in men and 35% in women. The prevalence of screen‐detected T2D was 18% in men and 12% in women, respectively, among those with FINDRISC >12 attending an OGTT. In both sexes the prevalence of isolated IGT, isolated IFG, and IFG and IGT combined were 8%, 11%, and 8%, respectively.ConclusionsIn total, 2% of all 14 193 screened participants had undetected T2D and 7% GMD. This figure would potentially be 4.6% (T2D), respectively 15% (GMD) if all with a FINDRISC>12 attend the OGTT. Thus, we found the FINDRISC to be a useful tool to identify people with GMD. This article is protected by copyright. All rights reserved.
Neck circumference is a valuable tool for identifying metabolic syndrome and obesity in Chinese elder subjects: a community‐based study
Authors: Yan Qun , Sun Dongmei , Li Xu , Zheng Qinghu , Li Lun , Gu Chenhong , Feng Bo 
Published: September 2013

AbstractObjectiveWe aim to explore the relationship of neck circumference to metabolic syndrome (MetS) and obesity in Chinese elders and to establish cut‐off points of the neck circumference for MetS and obesity.MethodsCross‐sectional analysis for a population sample of 2092 individuals aged over 65 years, representative of East China elders. MetS was identified according to the 2004 Chinese Diabetes Society criteria.ResultsNeck circumference was correlated with body mass index (r = 0.70, p = 0.000 in men, and r = 0.73, p = 0.000 in women) and waist circumference (waist circumference; r = 0.70, p = 0.000 in men, and r = 0.72, p = 0.000 in women). According to neck circumference quartile, the prevalence of MetS and its components were increased significantly from Q1 to Q4 (p for trend <0.001) in both genders. Binary logistic regression analysis revealed that both waist circumference and neck circumference were independent predictors of Mets, with odds ratios (95% confidence interval) 1.11 (1.08–1.15; p = 0.044) and 1.17 (1.07–1.28; p = 0.000), respectively, in men and 1.08 (1.05–1.10; p = 0.000) and 1.31 (1.21–1.42; p = 0.000), respectively, in women. As for obesity, the significant independent indicators in both genders were also waist circumference and neck circumference (all p < 0.01). In the receiver operating characteristic curves, both the optimal cut‐off points of neck circumference for MetS and obesity were 38 cm in men and 35 cm in women.ConclusionsThe neck circumference, as waist circumference, is also a valuable tool for identifying MetS and obesity, with established cut‐off points for the prediction of MetS and obesity in Chinese elders. Copyright © 2013 John Wiley & Sons, Ltd.
Reproductive health outcomes in eating disorders
Authors: Linna Milla S. , Raevuori Anu , Haukka Jari , Suvisaari Jaana M. , Suokas Jaana T. , Gissler Mika 
Published: September 2013

ABSTRACTObjectiveEating disorders are common psychiatric disorders in women at childbearing age. Previous research suggests that eating disorders are associated with fertility problems, unplanned pregnancies, and increased risk of induced abortions and miscarriages. The purpose of this study was to assess how eating disorders are related to reproductive health outcomes in a representative patient population.MethodFemale patients (N = 2,257) treated at the eating disorder clinic of Helsinki University Central Hospital during 1995–2010 were compared with matched controls identified from the Central Population Register (N = 9,028). Patients had been diagnosed (ICD‐10) with anorexia nervosa (AN), atypical AN, bulimia nervosa (BN), atypical BN, or binge eating disorder (BED, according to DSM‐IV research criteria). Register‐based data on number of children, pregnancies, childbirths, induced abortions, miscarriages, and infertility treatments were used to measure reproductive health outcomes.ResultsPatients were more likely to be childless than controls [odds ratio (OR) 1.86; 95% confidence interval (CI) 1.62–2.13, p < .001]. Pregnancy and childbirth rates were lower among patients than among controls. BN was associated with increased risk of induced abortion compared to controls (OR 1.85; 95% CI 1.43–2.38, p < .001), whereas BED was associated with elevated risk of miscarriage (OR 3.18; 95% CI 1.52–6.66, p = .002).DiscussionReproductive health outcomes are compromised in women with a history of eating disorders across all eating disorder types. Our findings emphasize the importance of reproductive health counseling and monitoring among women with eating disorders. © 2013 Wiley Periodicals, Inc.(Int J Eat Disord 2013; 46:826–833)
Gender norms, psychometric properties, and validity for the Eating Pathology Symptoms Inventory
Authors: Forbush Kelsie T. , Wildes Jennifer E. , Hunt Tyler K. 
Published: September 2013

ABSTRACTObjectiveThe Eating Pathology Symptoms Inventory [EPSI; Forbush KT, Wildes JE, Pollack LO, Dunbar D, Luo J, Patterson K, et al. Development and validation of the EPSI. Psychological Assessment, in press] is an empirically derived self‐report measure of eating disorder (ED) symptoms. The EPSI is able to capture the majority of variance associated with established ED measures, yet possesses additional content that is not currently represented in any existing multidimensional ED measure. The purpose of this study was to present normative and psychometric data for the EPSI in a large sample of college men (N = 502) and women (N = 625).MethodParticipants completed the EPSI and a battery of self‐report measures to evaluate convergent and discriminant validity. To provide context as to how normative scores compare to ED psychopathology, undergraduate student scores were compared to scores from individuals with EDs (N = 150).ResultsConfirmatory factor analyses indicated that the EPSI had a robust eight‐factor structure that was replicated in both men and women. Mean scores for most scales were significantly higher in women, except for Excessive Exercise, Muscle Building, and Negative Attitudes toward Obesity, which were significantly higher in men. Most scale scores were significantly lower in college students than in patients with EDs. Results indicated excellent convergent and discriminant validity in both genders.DiscussionThese data provide the first large‐scale normative data for the EPSI in young adults, as well as additional evidence supporting the psychometric properties and construct validity of the EPSI. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:85–91)