bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural and electronic properties of barium-induced surfaces on Si(111): Barium disilicide and Si(111)2 × 8 reconstruction
Authors: Kubo Osamu , Otsuka Takuro , Okasaka Shouta , Osaka Shun , Tabata Hiroshi , Katayama Mitsuhiro 
Published: July 2016

Abstract
The structural and electronic properties of a BaSi2(100) film as well as Ba-induced surface reconstructions formed on Si(111) have been investigated by scanning tunneling microscopy and spectroscopy (STS). At a low Ba deposition rate (∼0.1 nm/min), no silicide structures grow but only Si surface reconstructions are formed. In contrast, when Ba atoms are evaporated onto the Si(111) surface at 600 °C at a deposition rate of ∼1 nm/min, most of the surface was covered with a striped structure, which is assigned to the BaSi2(100) surface terminated with Si4 tetrahedra, which is consistent with a previously reported structural model [Okasaka et al., Surf. Sci. 635, 115 (2015)]. On an identical sample, another surface phase having

-R30° periodicity was observed. This would also be the surface terminated with Si4 tetrahedra but with two-thirds of Si4 tetrahedra missing owing to the shortage of Si supply from the substrate. STS spectra obtained for both the striped and

-R30° periodic structures exhibit a bandgap of 1.3 eV.
Comparing Quantitative Immunohistochemical Markers of Angiogenesis to Contrast‐Enhanced Subharmonic Imaging
Authors: Gupta Aditi , Forsberg Mark A. , Dulin Kelly , Jaffe Samantha , Dave Jaydev K. , Halldorsdottir Valgerdur G. , Marshall Andrew , Forsberg Anya I. , Eisenbrey John R. , Machado Priscilla , Fox Traci B. , Liu Ji-Bin , Forsberg Flemming 
Published: July 2016

ObjectivesDifferent methods for obtaining tumor neovascularity parameters based on immunohistochemical markers were compared to contrast‐enhanced subharmonic imaging (SHI).MethodsEighty‐five athymic nude female rats were implanted with 5 × 106 breast cancer cells (MDA‐MB‐231) in the mammary fat pad. The contrast agent Definity (Lantheus Medical Imaging, North Billerica, MA) was injected, and SHI was performed using a modified Sonix RP scanner (Analogic Ultrasound, Richmond, British Columbia, Canada) with a L9‐4 linear array (transmitting/receiving frequencies, 8/4 MHz). Afterward, specimens were stained for endothelial cells (CD31), vascular endothelial growth factor (VEGF), and cyclooxygenase 2 (COX‐2). Tumor neovascularity was assessed in 4 different ways using a histomorphometry system (×100 magnification: (1) over the entire tumor; (2) in small sub–regions of interest (ROIs); (3) in the tumor periphery and centrally; and (4) in 3 regions of maximum marker expression (so‐called hot spots). Results from specimens and from SHI were compared by linear regression.ResultsFifty‐four rats (64%) showed tumor growth, and 38 were successfully imaged. Subharmonic imaging depicted the tortuous morphologic characteristics of tumor neovessels and delineated small areas of necrosis. The immunohistochemical markers did not correlate with SHI measures over the entire tumor area or over small sub‐ROIs (P > .18). However, when the specimens were subdivided into central and peripheral regions, COX‐2 and VEGF correlated with SHI in the periphery (r = −0.42; P = .005; and r = −0.32; P = .049, respectively).ConclusionsWhen comparing quantitative contrast measures of tumor neovascularity to immunohistochemical markers of angiogenesis in xenograft models, ROIs corresponding to the biologically active region should be used to account for tumor heterogeneity.
Geomagnetic control of the midlatitude daytime foF1 and foF2 long‐term variations: Physical interpretation using European observations
Authors: Mikhailov A. V. , Perrone L. 
Published: July 2016

AbstractMorphological analysis of Slough/Chilton and Juliusruh foF2 and foF1 long‐term variations for the period including recent observations made in the previous paper (PM) has shown that the geomagnetic control is valid in the 21st century, moreover, the dependence on geomagnetic activity has become more pronounced and explicit after 1990. A new method to retrieve thermospheric neutral composition (O, O2, and N2), exospheric temperature Tex, and the total solar EUV flux with λ < 1050 Å from routine foF1 ionosonde observations has been developed to understand the mechanism of this geomagnetic control. The method was tested using CHAMP/STAR neutral gas density measurements. The retrieved for the first time thermospheric parameters at Slough/Chilton and Juliusruh over the period of ~ 5 solar cycles were used to analyze the mechanism of foF1 and foF2 long‐term variations in the light of the geomagnetic control concept. It was shown that the control was provided via two channels: [O] and [O]/[N2] variations. Geomagnetic activity presented by 11 year running mean weighted index Ap11y controls the (O/N2)11y ratio variations, while solar activity presented by (F10.7)11y controls atomic oxygen [O]11y variations. Atomic oxygen, the main aeronomic parameter controlling daytime foF1 and foF2 variations, manifests solar cycle and long‐term (for some solar cycles) variations with the rising phase in 1965–1985 and the falling phase in 1985–2008. These long‐term [O] variations are reflected in foF2 and foF1 long‐term variations. The origin of these long‐term variations is in the Sun. The empirical thermospheric model Mass Spectrometer Incoherent Scatter‐86 driven by Ap and F10.7 indices manifests [O]11y and (O/N2 )11y variations similar to the retrieved ones including the period of deep solar minimum with a very low atomic oxygen concentration in 2008. This confirms the basic idea of the geomagnetic control concept that ionospheric long‐term variations have a natural (not anthropogenic) origin related to long‐term variations in solar and geomagnetic activity.
Implementing an Electronic Medical Record–Based Reminder for Cardiovascular Risk Screening in Rheumatoid Arthritis
Authors: Akenroye Ayobami T. , Kumthekar Anand A. , Alevizos Michail K. , Mowrey Wenzhu B. , Broder Anna 
Published: July 2016

ObjectiveAlthough cardiovascular disease (CVD) is the leading cause of death among individuals with rheumatoid arthritis (RA), CVD risks are not being assessed frequently and systematically in RA. We implemented an electronic medical record (EMR)–based reminder in a tertiary care center and assessed the effects of this intervention on CVD risk screening by rheumatologists and primary care providers.MethodsThe EMR reminder was implemented in December 2013 and included the most recent value and target ranges for body mass index, blood pressure (BP), and lipid profiles. It was displayed for every rheumatology and primary care visit for all patients with the International Classification of Diseases, Ninth Revision code for RA (714.0). Lipid screening rates, as well as changes in BP and obesity rates were compared pre‐ and postimplementation. Factors associated with lipid screening postimplementation were assessed using multivariate logistic regression.ResultsA total of 138 and 112 RA patients were seen in the outpatient clinics pre‐ and postimplementation, respectively. The demographic characteristics were similar in the pre‐ and postimplementation groups. Lipid screening rates were 50% preimplementation and 46% postimplementation (P = 0.58). There were no significant improvements in BP or obesity rates postimplementation. Factors associated with the higher odds of lipid screening included older age and history of diabetes mellitus.ConclusionImplementing an EMR reminder did not improve CVD risk screening among RA patients. Future research is needed to identify and address barriers to CVD screening, and to educate patients and providers about RA‐related risks.
Validation of Systemic Lupus Erythematosus Diagnosis as the Primary Cause of Renal Failure in the US Renal Data System
Authors: Broder Anna , Mowrey Wenzhu B. , Izmirly Peter , Costenbader Karen H. 
Published: July 2016

ObjectiveUsing American College of Rheumatology (ACR) and Systemic Lupus International Collaborating Clinics (SLICC) criteria for systemic lupus erythematosus (SLE) classification as gold standards, we determined sensitivity, specificity, positive and negative predictive values (PPV and NPV) of having SLE denoted as the primary cause of end‐stage renal disease (ESRD) in the US Renal Data System (USRDS).MethodsESRD patients were identified by International Classification of Diseases, Ninth Revision codes in electronic medical records of 1 large tertiary care center, Montefiore Hospital, from 2006 to 2012. Clinical data were extracted and reviewed to establish SLE diagnosis. Data were linked by social security number, name, and date of birth to the USRDS, where primary causes of ESRD were ascertained.ResultsOf 7,396 ESRD patients at Montefiore, 97 met ACR/SLICC SLE criteria, and 86 had SLE by record only. Among the 97 SLE patients, the attributed causes of ESRD in the USRDS were 77 SLE and 12 with other causes (unspecified glomerulonephritis, hypertension, scleroderma), and 8 missing. Sensitivity, specificity, PPV, and NPV for SLE in the USRDS were 79%, 99.9%, 93%, and 99.7%, respectively. Of the 60 patients with biopsy‐proven lupus nephritis, 44 (73%) had SLE as primary ESRD cause in the USRDS. Attribution of the primary ESRD causes among SLE patients with ACR/SLICC criteria differed by race, ethnicity, and transplant status.ConclusionThe diagnosis of SLE as the primary cause of ESRD in the USRDS has good sensitivity, and excellent specificity, PPV, and NPV. Nationwide access to medical records and biopsy reports may significantly improve sensitivity of SLE diagnosis.
Synthesis of 1,4‐Butanediol di(3‐Diethylamino‐2‐Hydroxylpropyl Alcohol) Ether and Cationic Waterborne Polyurethane with High Solids Content
Authors: Bao Liang , Fan Haojun , Chen Yi , Yan Jun , Zhang Jiafa , Guo Yuliang 
Published: July 2016

AbstractA novel hydrophilic cationic chain extender, 1,4‐butanediol di(3‐diethylamino‐2‐ hydroxylpropyl alcohol) ether (BDE), was successfully prepared, and then a series of lateral‐chain‐type cationic waterborne polyurethanes (CWPUs) with high solid content was synthesized. Compared with the traditional cationic chain extender, N‐methyl diethanol amine (MDEA), BDE with lateral amino groups shows more efficient hydrophilicity and ionization properties. CWPUs prepared from BDE possess lower viscosity, smaller particle size, and larger zeta‐potential. As predicted, stable CWPU latexes with higher solids content (≥50%) and lower hydrophilic group content were achieved. Further study indicated that other properties, including the molecular weight, glass transition temperature, thermal stability, and mechanical properties, of lateral‐chain‐type CWPUs were similar or superior to those of main‐chain‐type ones; no negative effect could be observed.
Effects of Temperature and External Force on the Stereocomplex Crystallization in Poly(lactic acid) Blends
Authors: Cui Li , Wang Yahui , Guo Yi , Liu Yun , Zhao Jinchao , Zhang Chuanjie , Zhu Ping 
Published: July 2016

AbstractAn investigation of the effects of temperature and external force on the stereocomplex‐type poly(lactide acid) formation between equimolar of poly(L‐lactide acid) (PLLA) and poly(D‐lactide acid) (PDLA) was conducted. Wide‐angle X‐ray diffraction (WAXD) and differential scanning calorimetry (DSC) analysis indicated that exclusive stereocomplex‐type poly(lactide acid) (sc‐PLA) with relatively high crystallinity could be obtained at lower (0°C) temperature. During solution mixing process, increasing stirring speed within range 0–200 rpm was conductive to the formation of sc‐PLA. However, excessive stirring speed gave rise to a decrease in sc‐PLA production. During solvent evaporation process, addition of shaking could effectively improve formation of sc‐PLA, wherein crystallinity of sc‐PLA approached the maximum value as shaking speed reach 100 rpm. These suggest that lower temperature and appropriate external force are positive to the formation of sc‐PLA in PLLA/PDLA blends.
Effect of Secukinumab on Patient‐Reported Outcomes in Patients With Active Ankylosing Spondylitis: A Phase III Randomized Trial (MEASURE 1)
Authors: Deodhar Atul A. , Dougados Maxime , Baeten Dominique L. , Cheng‐Chung Wei James , Geusens Piet , Readie Aimee , Richards Hanno B. , Martin Ruvie , Porter Brian 
Published: July 2016

ObjectiveTo evaluate the effect of secukinumab (interleukin‐17A inhibitor) on patient‐reported outcomes in patients with active ankylosing spondylitis (AS).MethodsIn this phase III study, 371 patients were randomized (1:1:1) to receive intravenous (IV) secukinumab 10 mg/kg at baseline and weeks 2 and 4 followed by subcutaneous (SC) secukinumab 150 mg every 4 weeks (IV→150 mg group), or SC secukinumab 75 mg every 4 weeks (IV→75 mg group), or placebo. Patient‐reported outcomes included the Bath Ankylosing Spondylitis Disease Activity Index (BASDAI), BASDAI criteria for 50% improvement (BASDAI 50), Short Form 36 (SF‐36) physical component summary (PCS) score and mental component summary (MCS) score, Ankylosing Spondylitis Quality of Life (ASQoL) questionnaire, Bath Ankylosing Spondylitis Functional Index (BASFI), EuroQol 5‐domain (EQ‐5D) questionnaire, Functional Assessment of Chronic Illness Therapy–Fatigue (FACIT‐F), and Work Productivity and Activity Impairment–General Health questionnaire (WPAI‐GH).ResultsAt week 16, secukinumab IV→150 mg or IV→75 mg was associated with statistically and clinically significant improvements from baseline versus placebo in the BASDAI (−2.3 for both regimens versus −0.6; P < 0.0001 and P < 0.001, respectively), SF‐36 PCS (5.6 for both regimens versus 1.0; P < 0.0001 and P < 0.001, respectively), and ASQoL (−3.6 for both regimens versus −1.0; P < 0.0001 and P < 0.001, respectively). Clinically significant improvements in the SF‐36 MCS, BASFI, EQ‐5D, and BASDAI 50 were observed with both secukinumab groups versus placebo at week 16; improvements were also observed in the FACIT‐F and WPAI‐GH. All improvements were sustained through week 52.ConclusionOur findings indicate that secukinumab provides significant and sustained improvements in patient‐reported disease activity and health‐related quality of life, and reduces functional impairment, fatigue, and impact of disease on work productivity in patients with active AS.
Quantitative determination of buprenorphine, naloxone and their metabolites in rat plasma using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry
Authors: Joshi Anand , Parris Brian , Liu Yongzhen , Heidbreder Christian , Gerk Phillip M. , Halquist Matthew 
Published: July 2016

AbstractA rapid and sensitive LC–MS/MS method was developed and validated for the simultaneous determination of buprenorphine and its three metabolites (buprenorphine glucuronide, norbuprenorphine and norbuprenorphine glucuronide) as well as naloxone and its metabolite naloxone glucuronide in the rat plasma. A hydrophilic interaction chromatography column and a mobile phase containing acetonitrile and ammonium formate buffer (pH 3.5) were used for the chromatographic separation. Mass spectrometric detection was achieved by an electrospray ionization source in the positive mode coupled to a triple quadrupole mass analyzer. The calibration curves for the six analytes displayed good linearity over the concentration range 1.0 or 5.0–1000 ng/mL. The intra and inter‐day precision (CV) ranged from 2.68 to 16.4% and from 9.02 to 14.5%, respectively. The intra‐ and inter‐day accuracy (bias) ranged from −14.2 to 15.2% and from −9.00 to 4.80%, respectively. The extraction recoveries for all the analytes ranged from 55 to 86.9%. The LC–MS/MS method was successfully applied to a pharmacokinetic study of buprenorphine–naloxone combination in rats.
Development of solid‐phase microextraction coupled with liquid chromatography for analysis of tramadol in brain tissue using its molecularly imprinted polymer
Authors: Habibi‐Khorasani Monireh , Mohammadpour Amir Hooshang , Mohajeri Seyed Ahmad 
Published: July 2016

AbstractIn this work, performance of a molecularly imprinted polymer (MIP) as a selective solid‐phase microextraction sorbent for the extraction and enrichment of tramadol in aqueous solution and rabbit brain tissue, is described. Binding properties of MIPs were studied in comparison with their nonimprinted polymer (NIP). Ten milligrams of the optimized MIP was then evaluated as a sorbent, for preconcentration, in molecularly imprinted solid‐phase microextraction (MISPME) of tramadol from aqueous solution and rabbit brain tissue. The analytical method was calibrated in the range of 0.004 ppm (4 ng mL−1) and 10 ppm (10 μg mL−1) in aqueous media and in the ranges of 0.01 and 10 ppm in rabbit brain tissue, respectively. The results indicated significantly higher binding affinity of MIPs to tramadol, in comparison with NIP. The MISPME procedure was developed and optimized with a recovery of 81.12–107.54% in aqueous solution and 76.16–91.20% in rabbit brain tissue. The inter‐ and intra‐day variation values were <8.24 and 5.06%, respectively. Finally the calibrated method was applied for determination of tramadol in real rabbit brain tissue samples after administration of a lethal dose. Our data demonstrated the potential of MISPME for rapid, sensitive and cost‐effective sample analysis.
Cytotoxic and Apoptosis‐inducing Activities of Taraxastane‐type Triterpenoid Derivatives in Human Cancer Cell Lines
Authors: Ukiya Motohiko , Ohkubo Chika , Kurita Masahiro , Fukatsu Makoto , Suzuki Takashi , Akihisa Toshihiro 
Published: July 2016

Twenty‐eight taraxastane‐type triterpenoid derivatives 4 – 31 were prepared from the naturally occurring triterpenoids faradiol (1) and heliantriol C (3). The cytotoxic activities of these compounds and arnidiol (2) were evaluated in leukemia (HL60), lung (A549), duodenal (AZ521), and breast (SK‐BR‐3) cancer cell lines. 21‐Oxoarnidiol (18) and faradiol 3,16‐di‐O‐l‐alaninate (31) exhibited potent cytotoxicity, with 50% inhibitory concentrations of 0.5 – 2.7 μm. In particular, flow cytometric analysis indicated that compound 31 induced typical apoptotic cell death in HL60 cells. These results suggested that taraxastane‐type triterpenoid derivatives might provide useful antitumor agents with apoptosis‐inducing activity.
Temperature‐Mediated Regulation of Enzymatic Activity
Authors: Cao Yuanyuan , Wang Yapei 
Published: July 2016

AbstractControllable nanobiocatalysis using enzymes has evolved to play an important role in the specific and efficient preparation of bioproducts. Temperature change is one promising tool owing to the dependence of enzyme catalysis on temperature. Some examples of regulation of enzymatic activity through direct or indirect heating methods with the assistance of thermoresponsive or thermal harvesting materials are summarized in this concept article. Several fascinating applications including remote control of enzyme and/or substrate release, on‐off enzyme reactions triggered by temperature variation to separate products from enzymes and remote acceleration of enzyme reactions even at room temperature have been highlighted. All this provides a new perspective for establishing on‐demand enzyme catalysis to further their applications in biological engineering, chemical industry, and scientific research fields.
Rapid Granulation in and Start‐Up of a Hybrid Anoxic Reactor for Biological Denitrification
Authors: Bhuvanesh Surianarayanan , Sreekrishnan Trichur Ramaswamy 
Published: July 2016

AbstractNitrate in the groundwater can cause a number of health and environmental issues. Therefore, a novel denitrifying reactor was investigated regarding rapid granulation of biomass and reactor start‐up. The effects of the wastewater characteristics, reactor operating conditions, and reactor geometry on microbial granulation were studied. It was possible to achieve granulation in just 15 days of reactor start‐up. In 15 days, the settling velocity of the granules was almost tenfold higher than that of seed sludge. The reactor was able to handle a nitrate loading rate of 460 g NO3‐N m−3d−1 in just 30 days of reactor start‐up, with a removal efficiency of almost 100 %. Based on the experimental observations, a hypothesis for the cause of the rapid granulation is proposed.
Bioremediation of a Chromium Complex Dye Using Aspergillus flavus and Aspergillus tamarii
Authors: Ghosh Arpita , Dastidar Manisha Ghosh , Sreekrishnan Trichur Ramaswamy 
Published: July 2016

AbstractBioremediation of a chromium complex dye was conducted by growing Aspergillus flavus and Aspergillus tamarii in a batch bioreactor to evaluate color and chromium removal. A. tamarii was found to be more efficient for bioremediation of this dye in the initial concentration range. The optimum conditions of parameters for color removal were determined using response surface methodology. The theoretical and experimental responses of color removal were in close agreement as suggested by the confirmatory experiments performed in batch and continuous modes under the optimum conditions. The bioremediation mechanism of the chromium complex dye was examined by gas chromatography‐mass spectrometry, scanning electron microscopy, transmission electron microscopy, and energy‐dispersive X‐ray spectroscopic analyses.
Controlling Regiochemistry in the Syntheses of Boraindanes from Diborane(4) Starting Materials
Authors: Arnold Nicole , Braunschweig Holger , Ewing William C. , Kupfer Thomas , Radacki Krzysztof , Thiess Torsten , Trumpp Alexandra 
Published: July 2016

AbstractThe reaction of tert‐butylisonitrile (tBuNC) with 1,2‐dihalo‐1,2‐diduryldiborane leads initially to the formation of the mono‐base adduct of the symmetrical diborane(4), which then undergoes an intramolecular cyclization resulting in the formation of a 1‐boraindane. This result is in contrast to a previously reported cyclization of a mono‐isonitrile adduct of an unsymmetrical 1,1‐pinacol‐2,2‐diaryldiborane(4), which results in the formation of a 1‐boraindane. This latter result is herein confirmed by the reaction of 1,1‐difluoro‐2,2‐dimesityldiborane(4) with tBuNC, which yielded the 2‐boraindane compound. The mechanism of the former reaction has been computationally elucidated, and the differences between this route and the pathway to 1‐boraindanes is discussed. These reactions further the understanding of the chemistry of the increasingly popular mono‐base adducts of diborane(4), demonstrate the versatility of isonitriles in comparison to standard two‐electron donors, and elucidate selective routes to boron‐containing polycyclics, such as those being proposed as analogues for conventional organic pharmaceuticals.
Poly Ethoxy Ethyl Glycinamide (PEE‐G) Dendrimers: Dendrimers Specifically Designed for Pharmaceutical Applications
Authors: Toms Steven , Carnachan Susan M. , Hermans Ian F. , Johnson Keryn D. , Khan Ashna A. , O'Hagan Suzanne E. , Tang Ching‐Wen , Rendle Phillip M. 
Published: July 2016

AbstractPoly ethoxy ethyl glycinamide (PEE‐G) dendrimers have been specifically designed and synthesized with the aim of providing a readily available dendrimer scaffold that can be used to make products that can meet the stringent requirements of pharmaceutical applications. The synthesis has been refined to produce dendrimers that are of high HPLC purity. The suitability of PEE‐G dendrimers for their designed use has been verified by subsequent measurements to demonstrate that they are of high stability, high aqueous solubility, low cytotoxicity, low immunogenicity and with low in vivo toxicity in an escalating‐dose rat study. PEE‐G dendrimers therefore provide a useful scaffold for researchers wanting to develop dendrimer‐based drug candidates.