bluuebunny/crossref_metadata_2025 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

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.
Morpho-anatomical aspects and technological quality of saccharine sorghum submitted to plant regulators
Authors: Viana Ronaldo Da Silva , Figueiredo Paulo Alexandre Monteiro , Lisboa Lucas Aparecido Manzani , Magalhães Anderson Chagas
Published: July 2016

Com o aumento na demanda de combustíveis renováveis, a indústria sucroenergética tem tido como desafio o aumento da produtividade agroindustrial, além da redução dos custos de produção. Atualmente, são escassos os relatos da utilização de reguladores vegetais na cultura do sorgo sacarino. O objetivo deste trabalho foi avaliar aplicação dos reguladores vegetais na qualidade tecnológica e aspectos morfoanatômicos do sorgo sacarino. O ensaio foi realizado na usina Cerradinho em Catanduva SP. As aplicações dos reguladores vegetais foram: etephon nas dosagens de 1,32, 0,66, 0,33 L ha-1, sulfometuron-methyl nas dosagens de 20, 10, 5 g ha-1, thiadizuron nas dosagens de 0,150, 0,100, 0,50 L ha-1, ethyl-trinexapac nas dosagens de 0,80, 0,40, 0,20 L ha-1 e controle. O experimento foi conduzido em Blocos Casualizados, no esquema de parcelas subdivididas com quatro repetições. Foram avaliadas as variáveis tecnológicas: pureza do caldo, açúcares redutores, açúcares totais recuperáveis, brix do caldo, pol do caldo, açúcares teóricos recuperáveis, fibra (%) e mensurados: espessura da epiderme da face adaxial (EAD); espessura da epiderme da face abaxial (EAB); diâmetro do esclerênquima (DE); espessura do mesofilo (MF); diâmetro dos vasos xilemáticos (DX) e diâmetro dos vasos floemáticos (DF). Para as características tecnológicas, os maturadores químicos sulfometuron-methyl e etephon nas doses 5 g ha-1 e 0,33 L ha-1, respectivamente, promoveram os melhores resultados a partir dos 37 dias após a aplicação. Para as características morfonatômicas, o maturador químico thiadizuron na dose 0,100 L ha-1 apresentou os melhores resultados aos 44 dias após a aplicação.
Aplicação de glyphosate associado a resíduo não-purificado da produção de biodiesel: análise de diferentes protótipos
Authors: Carvalho Saul Jorge Pinto de , Lima Rodrigo Sanini de Oliveira , Machado Edisom Carlos Ribeiro , Marques Bruno Da Silva , Silva Alan Pratezi Penha , Gonçalves Marcelo Ferri
Published: July 2016

O herbicida glyphosate é um defensivo agrícola de grande importância mundial. Neste sentido, diversos trabalhos têm sido desenvolvidos no intuito de selecionar adjuvantes que elevem a eficácia do produto. Dois experimentos foram realizados com o objetivo de avaliar a eficácia do herbicida glyphosate quando associado a diferentes protótipos experimentais de adjuvantes agrícolas, elaborados a partir de resíduos não-purificados da produção de biodiesel. Foi utilizado resíduo bruto da produção de biodiesel, bem como sua diluição em água, adição de sulfato de amônio, KOH e/ou óleo de soja. Avaliou-se o controle da corda-de-viola (Ipomoea triloba L.) em viveiro experimental, bem como a infestação de plantas daninhas em condição de campo. Em geral, a presença de protótipos de adjuvante na calda do herbicida glyphosate não resultou em incrementos de controle em nenhuma condição experimental, porém, também não prejudicou a eficácia do produto.
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

Objectives

Different methods for obtaining tumor neovascularity parameters based on immunohistochemical markers were compared to contrast‐enhanced subharmonic imaging (SHI).

Methods

Eighty‐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.

Results

Fifty‐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).

Conclusions

When 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.
PLACAS PARA FORRO PRODUZIDAS COM COMPÓSITO DE GESSO E EPS RECICLADOS
Authors: Rohden Abrahão Bernardo , Mecabô Rodolfo Antônio
Published: July 2016

O gesso e o poliestireno expandido (EPS) são amplamente utilizados na construção civil. Apesar de serem materiais conhecidos há bastante tempo, as tecnologias de reintrodução dos rejeitos destes materiais na cadeia produtiva ainda encontram desafios. O objetivo deste estudo constituiu-se no desenvolvimento de placas para serem empregadas em forro a partir de um compósito de gesso e EPS reciclados. A metodologia utilizada consistiu no beneficiamento e na caracterização do gesso reciclado, comparando o mesmo ao gesso comercial e as exigências normativas. Foram produzidas pastas com o gesso reciclado buscando compreender seu comportamento em função da relação água/gesso. A partir do comportamento da pasta foi então produzido o compósito com adição de três teores de EPS reciclado de 5, 10 e 15 g. Moldaram-se, então, placas com as quais se realizou os ensaios de resistência à tração na flexão e massa específica. Os resultados mostram que as pastas de gesso reciclado com relação água:gesso igual a 1 e os compósitos com 5 e 10 g de EPS reciclado são adequados para produção de placas para forro quanto à resistência à tração na flexão e massa específica.
Mammalian tolloid proteinases: role in growth factor signalling
Authors: Troilo Helen , Bayley Christopher P. , Barrett Anne L. , Lockhart‐Cairns Michael P. , Jowitt Thomas A. , Baldock Clair
Published: July 2016

Tolloid proteinases are essential for tissue patterning and extracellular matrix assembly. The members of the family differ in their substrate specificity and activity, despite sharing similar domain organization. The mechanisms underlying substrate specificity and activity are complex, with variation between family members, and depend on both multimerization and substrate interaction. In addition, enhancers, such as Twisted gastrulation (Tsg), promote cleavage of tolloid substrate, chordin, to regulate growth factor signalling. Although Tsg and mammalian tolloid (mTLD) are involved in chordin cleavage, no interaction has been detected between them, suggesting Tsg induces a change in chordin to increase susceptibility to cleavage. All members of the tolloid family bind the N terminus of latent TGFβ‐binding protein‐1, providing support for their role in TGFβ signalling.
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

Morphological 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

Objective

Although 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.

Methods

The 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.

Results

A 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.

Conclusion

Implementing 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

Objective

Using 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).

Methods

ESRD 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.

Results

Of 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.

Conclusion

The 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.
Functional Modification of Fibrous PCL Scaffolds with Fusion Protein VEGF‐HGFI Enhanced Cellularization and Vascularization
Authors: Zhao Liqiang , Ma Shaoyang , Pan Yiwa , Zhang Qiuying , Wang Kai , Song Dongmin , Wang Xiangxiang , Feng Guowei , Liu Ruming , Xu Haijin , Zhang Jun , Qiao Mingqiang , Kong Deling
Published: July 2016

The lack of efficient vascularization within frequently used poly(ε‐caprolactone) (PCL) scaffolds has hindered their application in tissue engineering. Hydrophobin HGFI, an amphiphilic protein, can form a self‐assembly layer on the surface of PCL scaffolds and convert their wettability. In this study, a fusion protein consisting of HGFI and vascular endothelial growth factor (VEGF) is prepared byPichia pastorisexpression system. Sodium dodecyl sulface‐polyacrylamide gel electrophoresis (SDS‐PAGE) and western blotting confirm that the VEGF‐HGFI is successfully isolated and purified. Transmission electron microscope and water contact angle measurement demonstrate that VEGF‐HGFI can form a self‐assembly layer with about 25 nm in thickness on electrospun PCL fibers and increase their hydrophilicity. VEGF‐HGFI modification can effectively enhance the adhesion, migration, and proliferation of human umbilical vein endothelial cells. Near‐infrared fluorescence imaging shows that the VEGF‐HGFI modification on PCL scaffolds can exist at least 21 d in vitro and at least 14 d in vivo. Bioluminescence imaging shows that VEGF‐HGFI can effectively activate vascular endothelial growth factor receptor 2 receptors. Subcutaneous implantation in mice and rats reveal that cellularization and vascularization are significantly improved in VEGF‐HGFI modified PCL scaffolds. These results suggest that VEGF‐HGFI is a useful molecule for functional modification of scaffolds to enhance cellularization and vascularization in tissue engineering.
Functional Supramolecular Polymers: A Fluorescent Microfibrous Network in a Supramolecular Hydrogel for High‐Contrast Live Cell‐Material Imaging in 3D Environments
Authors: Hsu Shu‐Min , Wu Fang‐Yi , Cheng Hsun , Huang Yu‐Tang , Hsieh Yi‐Ru , Tseng Dion Tzu‐Huan , Yeh Mei‐Yu , Hung Shih‐Chieh , Lin Hsin‐Chieh
Published: July 2016

A new bottom‐up strategy based on aromatic peptide amphiphile is developed for a high‐contrast visualization of 3D live cell‐material imaging—something that has been difficult to achieve previously because of the problems associated with the diffraction of light by the nanosized peptide materials and the aggregation‐caused quenching of aggregated π‐conjugated fluorophores in the nanostructures. This study reports an example of a novel supramolecular hydrogelator, naphthaleneimide‐phenylalanine (NI‐Phe), which forms a self‐supporting hydrogel displaying a unique microfibrous network and promising aggregation‐induced emission characteristics at pH 7.4. The storage modulus of the NI‐Phe gel supports the mass of a cell for 3D cell culturing. This work illustrates a new dopant‐free supramolecular approach, complementary to well‐established doping procedures that should facilitate the development of live cell imaging in 3D scaffolding materials.
Solvent‐Tunable Microstructures of Aligned Carbon Nanotube Films
Authors: Yu Xueping , Zhang Xiaohua , Zou Jingyun , Lan Zhuyao , Jiang Chunyang , Zhao Jingna , Zhang Dengsong , Miao Menghe , Li Qingwen
Published: July 2016

Solvent wetting is an efficient way to densify carbon nanotube (CNT) assembly structures. Besides the polarity that determines the densification level, the solvent's volatility is found to affect the assembly structure at the micrometer scale. A high volatile solvent like acetone can cause CNTs to simultaneously establish close contact at many intersecting points, and thus creates a strong network structure. This networking ability results in high plasticity for the resulting CNT assembly films. On the other hand, a low volatile solvent like N,N‐dimethylformamide reduces the density of connection points due to nonlocalized CNT densification. The networking effect has a strong influence on the film's tensile property by the virtue of the improved plasticity. The acetone‐densified CNT film (up to 2.32–3.19 GPa) is about 20% stronger than that densified by ethanol.
Plasticity Promoted Band Structure Engineering Achieved by Arrayed Indentation on GaAs Wafers
Authors: Zhao Dongfang , Lin Xiaoyu , Jia Ran , Gao Naikun , Liu Duo
Published: July 2016

Engineered defective sites on semiconductors offer opportunities for the design of novel optoelectronic devices with functions that are not intrinsically available. It is demonstrated that composite photonic crystal can be created on GaAs wafers by arrayed indentation. The indentation pattern supports photochemical cultivation of Ag nanoplates with a new principle involving plasticity promoted band engineering. It also provides a variety of novel functions not originally available in either GaAs or Ag nanostructures. In particular, this unique structure exhibits white light photoluminescence emission, strong enough to be perceived by the naked eye upon excitation with a 375 nm laser. This plasticity mediated principle opens a new avenue for the design and fabrication of novel composite semiconductor/metal structures with exotic properties.
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

A 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

An 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.
Mitigation of Electrical Failure of Silver Nanowires under Current Flow and the Application for Long Lifetime Organic Light‐Emitting Diodes
Authors: Chen Dustin , Zhao Fangchao , Tong Kwing , Saldanha Gillian , Liu Chao , Pei Qibing
Published: July 2016

The extended lifetime of organic light‐emitting diodes (OLEDs) based on enhanced electrical stability of a silver nanowire (AgNW) transparent conductive electrode is reported. Specifically, in depth investigation is performed on the ability of atomic layer deposition deposited zinc oxide (ZnO) on AgNWs to render the nanowires electrically stable during electrical stressing at the range of operational current density used for OLED lighting. ZnO‐coated AgNWs have been observed to show no electrical, optical, or morphological degradation, while pristine AgNW electrodes have become unusable for optoelectronic devices due to dramatic decreases in conductivity, transparency, and fragmentation of the nanowire network at ≈150 mA cm−2. When fabricated into OLED substrates, resulting OLEDs fabricated on the ZnO‐AgNW platform exhibit a 140% increase in lifetime when compared to OLEDs fabricated on indium tin oxide (ITO)/glass, and ≈20% when compared to OLEDs fabricated on AgNW based substrates. While both ZnO‐coated and pristine AgNW substrates outperform ITO/glass due to the lower current densities required to drive the device, morphological stability in response to current stressing is responsible for the enhancement of lifetime of ZnO‐AgNW based OLEDs compared to pristine AgNW based OLEDs.
Investigation of Charge Carrier Behavior in High Performance Ternary Blend Polymer Solar Cells
Authors: Lee Tack Ho , Uddin Mohammad Afsar , Zhong Chengmei , Ko Seo‐Jin , Walker Bright , Kim Taehyo , Yoon Yung Jin , Park Song Yi , Heeger Alan J. , Woo Han Young , Kim Jin Young
Published: July 2016

This study demonstrates high‐performance, ternary‐blend polymer solar cells by modifying a binary blend bulk heterojunction (PPDT2FBT:PC71BM) with the addition of a ternary component, PPDT2CNBT. PPDT2CNBT is designed to have complementary absorption and deeper frontier energy levels compared to PPDT2FBT, while being based on the same polymeric backbone. A power conversion efficiency of 9.46% is achieved via improvements in both short‐circuit current density (JSC) and open‐circuit voltage (VOC). Interestingly, the VOC increases with increasing the PPDT2CNBT content in ternary blends. In‐depth studies using ultraviolet photoelectron spectroscopy and transient absorption spectroscopy indicate that the two polymers are not electronically homogeneous and function as discrete light harvesting species. The structural similarity between PPDT2CNBT and PPDT2FBT allows the merits of a ternary system to be fully utilized to enhance both JSC and VOC without detriment to fill‐factor via minimized disruption of semi‐crystalline morphology of binary PPDT2FBT:PC71BM blend. Further, by careful analysis, charge carrier transport in this ternary blend is clearly verified to follow parallel‐like behavior.
Perovskite Solar Cell Stability in Humid Air: Partially Reversible Phase Transitions in the PbI2‐CH3NH3I‐H2O System
Authors: Song Zhaoning , Abate Antonio , Watthage Suneth C. , Liyanage Geethika K. , Phillips Adam B. , Steiner Ullrich , Graetzel Michael , Heben Michael J.
Published: July 2016

After rapid progress over the past five years, organic–inorganic perovskite solar cells (PSCs) currently exhibit photoconversion efficiencies comparable to the best commercially available photovoltaic technologies. However, instabilities in the materials and devices, primarily due to reactions with water, have kept PSCs from entering the marketplace. Here, laser beam induced current imaging is used to investigate the spatial and temporal evolution of the quantum efficiency of perovskite solar cells under controlled humidity conditions. Several interesting mechanistic aspects are revealed as the degradation proceeds along a four‐stage process. Three of the four stages can be reversed, while the fourth stage leads to irreversible decomposition of the photoactive perovskite material. A series of reactions in the PbI2‐CH3NH3I‐H2O system explains the interplay between the interactions with water and the overall stability. Understanding of the degradation mechanisms of PSCs on a microscopic level gives insight into improving the long‐term stability.
Outer approximation algorithm with physical domain reduction for computer‐aided molecular and separation process design
Authors: Gopinath Smitha , Jackson George , Galindo Amparo , Adjiman Claire S.
Published: July 2016

Integrated approaches to the design of separation systems based on computer‐aided molecular and process design (CAMPD) can yield an optimal solvent structure and process conditions. The underlying design problem, however, is a challenging mixed integer nonlinear problem, prone to convergence failure as a result of the strong and nonlinear interactions between solvent and process. To facilitate the solution of this problem, a modified outer‐approximation (OA) algorithm is proposed. Tests that remove infeasible regions from both the process and molecular domains are embedded within the OA framework. Four tests are developed to remove subdomains where constraints on phase behavior that are implicit in process models or explicit process (design) constraints are violated. The algorithm is applied to three case studies relating to the separation of methane and carbon dioxide at high pressure. The process model is highly nonlinear, and includes mass and energy balances as well as phase equilibrium relations and physical property models based on a group‐contribution version of the statistical associating fluid theory (SAFT‐γ Mie) and on the GC+ group contribution method for some pure component properties. A fully automated implementation of the proposed approach is found to converge successfully to a local solution in 30 problem instances. The results highlight the extent to which optimal solvent and process conditions are interrelated and dependent on process specifications and constraints. The robustness of the CAMPD algorithm makes it possible to adopt higher‐fidelity nonlinear models in molecular and process design. © 2016 The Authors AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers AIChE J, 62: 3484–3504, 2016
Piperazine‐ and DABCO‐bridged dinuclear N‐heterocyclic carbene palladium complexes: synthesis, structure and application to Hiyama coupling reaction
Authors: Wang Haozhen , Yang Jin
Published: July 2016

Four dinuclear N‐heterocyclic carbene (NHC) palladium complexes were prepared by reaction of imidazolinium salts, PdCl2 and bridging ligands (piperazine and DABCO) in one pot or by direct cleavage of the chloro‐bridged dimeric compounds [Pd(μ‐Cl)(Cl)(NHC)]2 with bridging ligands. All of the complexes were fully characterized using 1H NMR, 13C NMR, high‐resolution mass and infrared spectroscopies, elemental analysis and single‐crystal X‐ray diffraction. The catalytic activities of the obtained palladium catalysts towards Hiyama coupling of aryl chlorides with phenyltrimethoxysilane were investigated and the results showed that the dinuclear palladium complexes were considerably active for the coupling reaction. Copyright © 2016 John Wiley & Sons, Ltd.
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

Objective

To evaluate the effect of secukinumab (interleukin‐17A inhibitor) on patient‐reported outcomes in patients with active ankylosing spondylitis (AS).

Methods

In 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).

Results

At 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.

Conclusion

Our 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.
How stem cells manage to escape senescence and ageing – while they can
Authors: Ricchetti Miria
Published: July 2016

Skeletal muscle stem cells or satellite cells are responsible for muscle regeneration in the adult. Although satellite cells are highly resistant to stress, and display greater capacity to repair molecular damage than the committed progeny, their regenerative potential declines with age. During ageing, satellite cells switch to a state of permanent cell cycle arrest or senescence which prevents their activation. A recent study reveals that the senescence of satellite cell relies on defective autophagy, the quality control mechanism that degrades damaged proteins and organelles. Molecular damage is generated by oxidative stress that also promotes epigenetic changes that activate the expression of master genes, in a double‐hit mechanism that ensures senescence. Importantly, genetic, and pharmacological correction of defective autophagy reverses satellite cell senescence and restores muscle regeneration in geriatric mice, with perspectives of modulating age‐related functional decline of muscle. This study provides new clues to understand stem cell and organismal ageing.
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

A 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

In 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

Controllable 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

Nitrate 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

Bioremediation 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

The 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

Poly 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.
Brn3a and Brn3b knockout mice display unvaried retinal fine structure despite major morphological and numerical alterations of ganglion cells
Authors: Ghinia Miruna Georgiana , Novelli Elena , Sajgo Szilard , Badea Tudor Constantin , Strettoi Enrica
Published: July 2016

Ganglion cells (GCs), the retinal output neurons, receive synaptic inputs from bipolar and amacrine cells in the inner plexiform layer (IPL) and send information to the brain nuclei via the optic nerve. Although GCs constitute less than 1% of the total retinal cells, they occur in numerous types and are the first neurons formed during retinal development. Using Brn3a and Brn3b mutant mice in which the alkaline phosphatase gene was knocked‐in (Badea et al. [Neuron] 2009;61:852–864; Badea and Nathans [Vision Res] 2011;51:269–279), we studied the general effects after gene removal on the retinal neuropil together with the consequences of lack of development of large numbers of GCs onto the remaining retinal neurons of the same class. We analyzed the morphology, number, and general architecture of various neuronal types presynaptic to GCs, searching for changes secondary to the decrement in the number of their postsynaptic partners, as well as the morphology and distribution of retinal astrocytes, for their strong topographical relation to GCs. We found that, despite GC losses, retinal organization in Brn3 null mice is remarkably similar to that of wild‐type controls. J. Comp. Neurol. 527:187–211, 2019. © 2016 Wiley Periodicals, Inc.
Colloidal Properties of Aqueous Poly(vinyl acetate)–Borate Dispersions with Short‐Chain Glycol Ethers
Authors: Duncan Teresa T. , Berrie Barbara H. , Weiss Richard G.
Published: July 2016

We report the influence of adding five short‐chain glycol ethers (SCGEs) on the structure, stability, and viscoelastic properties of aqueous dispersions of partially hydrolyzed poly(vinyl acetate) and borax. The properties of these gel‐like materials have been investigated as a function of the structure of the added SCGE both below and above the critical aggregation (or micellar) concentrations using 11B and 13C NMR, rheology, and small‐angle neutron scattering. The results indicate that the SCGE aggregation behavior is not affected by incorporation into the gel‐like network. However, changes in the viscoelasticity and structural properties of the dispersions were detected that can be correlated to the nature of the solvent system. Also, the ability of these materials to clean an unvarnished acrylic paint surface coated with synthetic soil has been evaluated using colorimetery, and the surface of the dispersion after cleaning was visualized with scanning electron microscopy.
Insights into blood cell formation from hemogenic endothelium in lesser‐known anatomic sites
Authors: Yzaguirre Amanda D. , Speck Nancy A.
Published: July 2016

Background: Hematopoietic stem and progenitor cells (HSPCs) are generated de novo in the embryo in a process termed the endothelial to hematopoietic transition (EHT). EHT is most extensively studied in the yolk sac and dorsal aorta. Recently new sites of hematopoiesis have been described, including the heart, somites, head, and venous plexus of the yolk sac. Results: We examined sites of HSPC formation in well‐studied and in less well‐known sites by mapping the expression of the key EHT factor Runx1 along with several other markers by means of confocal microscopy. We identified sites of HSPC formation in the head, heart and somites. We also identified sites of HSPC formation in both the arterial and venous plexuses of the yolk sac, and show that progenitors with lymphoid potential are enriched in hematopoietic clusters in close proximity to arteries. Furthermore, we demonstrate that many of the cells in hematopoietic clusters resemble monocytes or granulocytes based on nuclear shape. Conclusions: We identified sites of HSPC formation in the head, heart, and somites, confirming that embryonic hematopoiesis is less spatially restricted than previously thought. Furthermore, we show that HSPCs in the yolk sac with lymphoid potential are located in closer proximity to arteries than to veins. Developmental Dynamics 245:1011–1028, 2016. © 2016 Wiley Periodicals, Inc.