bluuebunny/crossref_metadata_2025_split huggingface dataset:
Glass Forming Acceptor Alloys for Highly Efficient and Thermally Stable Ternary Organic Solar Cells
Authors: de Zerio Amaia Diaz , Müller Christian 
Published: January 2018

AbstractThe stability of donor:acceptor (D:A) semiconductor blends plays a key role in the development of solution‐processed organic solar cells. One essential condition for both high‐yield production and a long lifetime is excellent thermal stability. Recently, A1:A2 acceptor mixtures have received considerable attention and alloys of two miscible acceptors are singled out as a powerful tool for the design of efficient and durable organic solar cells. This progress report introduces a thermodynamic rationale for the superior thermal stability and reproducibility that is observed for some ternary blends. The increase in entropy upon mixing of several acceptors reduces the tendency for phase separation as well as crystallization, which facilitates the controlled formation of a fine blend nanostructure. Further, when combined with a high glass transition temperature many ternary blends can be readily quenched into a glassy state. Recent progress with regard to the thermal stability and efficiency of D:A1:A2 ternary blends is summarized in the light of the thermodynamic and kinetic arguments discussed in this article. Both, fullerene and fullerene‐free acceptor alloys now yield solar cell efficiencies in excess of 10%, which indicates that ternary blends are a promising avenue that is poised to considerably enhance the prospect of organic photovoltaics.
Clinical and imaging features of abdominal wall endometriomas
Authors: Edwards Kylie , Tsai Shih‐Han , Kothari Alka 
Published: January 2018

AbstractAbdominal wall endometrioma (AWE) is a rare condition (incidence 1% following caesarean section) with a significant variation in clinical symptoms, imaging findings and interval between initial procedure and diagnosis. We present two cases with differing clinical presentations. AWE may be difficult to diagnose pre‐operatively, with as many as 75% of lesions diagnosed incorrectly prior to surgical excision. Ultrasonography is a useful tool in determining the extent of the endometrioma and can help exclude differential diagnosis such as hernia. Ultrasound appearance of AWE is often variable; however, the most common presentation is of a solid hypoechoic mass lesion with peripheral vascularity. Margins may be irregular and infiltrate the surrounding soft tissues. Lesions may be cystic or multicystic or may have both solid and cystic components. Power Doppler may demonstrate internal vascularity. If ultrasound findings are inconclusive, computed tomography (CT) or magnetic resonance imaging (MRI) should be considered to assist in making the diagnosis. Ultrasound‐guided fine needle aspiration of the lesion may assist in the diagnosis, but seeding of the needle tract has been reported and must be included in the resection margins. Sonoelastography has shown some promise in early studies for improving diagnostic accuracy for AWE.
Single vs multiallergen sublingual immunotherapy in the polysensitized patient: a pilot study
Authors: Ortiz Alexandra Shams , McMains K. Christopher , Laury Adrienne M. 
Published: January 2018

BackgroundSublingual immunotherapy (SLIT) has emerged as an effective and exceptionally safe method of treatment of the atopic patient. However, the optimal number of allergens that should be included in the SLIT treatment regimen for the polysensitized patient is not known and practices vary widely. This study aims to compare the efficacy of single‐allergen SLIT with pauci‐allergen vs multiallergen aqueous SLIT in polysensitized patients.MethodsSixteen subjects sensitized to 6+ allergens were enrolled in the study. Subjects were blinded and randomized to SLIT treatment groups that included 1 (single), 3 (pauci), or all sensitized allergens (multi). Allergens selected were those to which the patient was most sensitized and correlated with history. Primary outcomes included daily allergy medication use, weekly Rhinoconjunctivitis Symptom Score (RCSS), and the mini–Rhinoconjuncitivitis Quality of Life Questionnaire (m‐RQLQ). All metrics were measured at baseline, 6 weeks, 3 months, 6 months, and 9 months.ResultsThere were significant decreases from baseline in RCSS and m‐RQLQ scores in all study groups at each interval after beginning SLIT (p < 0.05). There was no significant decrease in number of daily allergy medications used regardless of number of allergens in patient's treatment vial (p = 0.50). No significant differences emerged based on number of allergens used.ConclusionSingle‐antigen, pauci‐antigen, and multiantigen aqueous SLIT significantly improved allergy symptoms. There was no significant difference observed in efficacy of single‐allergen SLIT vs pauci‐allergen or multi‐allergen SLIT in polysensitized patients.
Encapsulation of Crabtree's Catalyst in Sulfonated MIL‐101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment
Authors: Grigoropoulos Alexios , McKay Alasdair I. , Katsoulidis Alexandros P. , Davies Robert P. , Haynes Anthony , Brammer Lee , Xiao Jianliang , Weller Andrew S. , Rosseinsky Matthew J. 
Published: January 2018

AbstractCrabtree's catalyst was encapsulated inside the pores of the sulfonated MIL‐101(Cr) metal–organic framework (MOF) by cation exchange. This hybrid catalyst is active for the heterogeneous hydrogenation of non‐functionalized alkenes either in solution or in the gas phase. Moreover, encapsulation inside a well‐defined hydrophilic microenvironment enhances catalyst stability and selectivity to hydrogenation over isomerization for substrates bearing ligating functionalities. Accordingly, the encapsulated catalyst significantly outperforms its homogeneous counterpart in the hydrogenation of olefinic alcohols in terms of overall conversion and selectivity, with the chemical microenvironment of the MOF host favouring one out of two competing reaction pathways.
Metal‐Free and Alkali‐Metal‐Catalyzed Synthesis of Isoureas from Alcohols and Carbodiimides
Authors: Imberdis Arnaud , Lefèvre Guillaume , Thuéry Pierre , Cantat Thibault 
Published: January 2018

AbstractThe first addition of alcohols to carbodiimides catalyzed by transition‐metal‐free compounds employs 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD) and its alkali metal salts. Isoureas are obtained in short reaction times and high yields when TBDK is used as the catalyst. Control of the coordination sphere of potassium with exogenous chelating ligands, in combination with mechanistic DFT calculations, demonstrated the role and positive influence of the alkali‐metal cation on the kinetics.
Catalytic CO Oxidation by O2 Mediated by Noble‐Metal‐Free Cluster Anions Cu2VO3–5−
Authors: Wang Li‐Na , Li Xiao‐Na , Jiang Li‐Xue , Yang Bin , Liu Qing‐Yu , Xu Hong‐Guang , Zheng Wei‐Jun , He Sheng‐Gui 
Published: January 2018

AbstractCatalytic CO oxidation by molecular O2 is an important model reaction in both the condensed phase and gas‐phase studies. Available gas‐phase studies indicate that noble metal is indispensable in catalytic CO oxidation by O2 under thermal collision conditions. Herein, we identified the first example of noble‐metal‐free heteronuclear oxide cluster catalysts, the copper–vanadium bimetallic oxide clusters Cu2VO3–5− for CO oxidation by O2. The reactions were characterized by mass spectrometry, photoelectron spectroscopy, and density functional calculations. The dynamic nature of the Cu−Cu unit in terms of the electron storage and release is the driving force to promote CO oxidation and O2 activation during the catalysis.
DNA Origami Directed Assembly of Gold Bowtie Nanoantennas for Single‐Molecule Surface‐Enhanced Raman Scattering
Authors: Zhan Pengfei , Wen Te , Wang Zhen‐gang , He Yingbo , Shi Jia , Wang Ting , Liu Xinfeng , Lu Guowei , Ding Baoquan 
Published: January 2018

AbstractMetallic bowtie nanoarchitectures can produce dramatic electric field enhancement, which is advantageous in single‐molecule analysis and optical information processing. Plasmonic bowtie nanostructures were successfully constructed using a DNA origami‐based bottom‐up assembly strategy, which enables precise control over the geometrical configuration of the bowtie with an approximate 5 nm gap. A single Raman probe was accurately positioned at the gap of the bowtie. Single‐molecule surface‐enhanced Raman scattering (SM‐SERS) of individual nanostructures, including ones containing an alkyne group, was observed. The design achieved repeatable local field enhancement of several orders of magnitude. This method opens the door on a novel strategy for the fabrication of metal bowtie structures and SM‐SERS, which can be utilized in the design of highly‐sensitive photonic devices.
Glycosyl‐Substituted Dicarboxylates as Detergents for the Extraction, Overstabilization, and Crystallization of Membrane Proteins
Authors: Nguyen Kim‐Anh , Peuchmaur Marine , Magnard Sandrine , Haudecoeur Romain , Boyère Cédric , Mounien Saravanan , Benammar Ikram , Zampieri Veronica , Igonet Sébastien , Chaptal Vincent , Jawhari Anass , Boumendjel Ahcène , Falson Pierre 
Published: January 2018

AbstractTo tackle the problems associated with membrane protein (MP) instability in detergent solutions, we designed a series of glycosyl‐substituted dicarboxylate detergents (DCODs) in which we optimized the polar head to clamp the membrane domain by including, on one side, two carboxyl groups that form salt bridges with basic residues abundant at the membrane–cytoplasm interface of MPs and, on the other side, a sugar to form hydrogen bonds. Upon extraction, the DCODs 8 b, 8 c, and 9 b preserved the ATPase function of BmrA, an ATP‐binding cassette pump, much more efficiently than reference or recently designed detergents. The DCODs 8 a, 8 b, 8 f, 9 a, and 9 b induced thermal shifts of 20 to 29 °C for BmrA and of 13 to 21 °C for the native version of the G‐protein‐coupled adenosine receptor A2AR. Compounds 8 f and 8 g improved the diffraction resolution of BmrA crystals from 6 to 4 Å. DCODs are therefore considered to be promising and powerful tools for the structural biology of MPs.
Zwei Diterpensynthasen für Spiroalbaten und Cembren A aus Allokutzneria albata
Authors: Rinkel Jan , Lauterbach Lukas , Rabe Patrick , Dickschat Jeroen S. 
Published: January 2018

AbstractZwei bakterielle Diterpensynthasen aus dem Actinomyceten Allokutzneria albata wurden untersucht. Dies führte zur Identifizierung des strukturell neuartigen Produkts Spiroalbaten des ersten und Cembren A des zweiten Enzyms. Beide Enzyme wurden durch Isotopenmarkierungsexperimente, ortsgerichtete Mutagenese, Variation des Metallcofaktors und des pH‐Wertes auf ihre Mechanismen untersucht. Für die Spiroalbaten‐Synthase wurde eine pH‐ und Mn2+‐abhängige Bildung des Nebenproduktes Thunbergol beobachtet, das biosynthetisch mit Spiroalbaten verwandt ist.
Broadening the Scope for Fluoride‐Free Synthesis of Siliceous Zeolites
Authors: Vattipalli Vivek , Paracha Abdul Mughis , Hu Weiguo , Chen Huiyong , Fan Wei 
Published: January 2018

AbstractSiliceous zeolites are ideally suited for emerging applications in gas separations, sensors, and the next generation of low‐k dielectric materials, but the use of fluoride in the synthesis significantly hinders their commercialization. Herein, we show that the dry gel conversion (DGC) technique can overcome this problem. Fluoride‐free synthesis of two siliceous zeolites—AMH‐4 (CHA‐type) and AMH‐5 (STT‐type), has been achieved for the first time using the method. Siliceous *BEA‐, MFI‐, and *MRE‐type zeolites have also been synthesized to obtain insights into the crystallization process. Charge‐balancing interactions between the inorganic cation, organic structure‐directing agent (OSDA), and Si−O− defects are found to be an essential aspect. We quantify this factor in terms of the “OSDA charge/silica ratio” of the as‐made zeolites and demonstrate that the DGC technique is broadly applicable and opens up new avenues for fluoride‐free siliceous zeolite synthesis.
Removal of cadmium(II) cations from an aqueous solution with aminothiourea chitosan strengthened magnetic biochar
Authors: Li Ronghua , Liang Wen , Huang Hui , Jiang Shuncheng , Guo Di , Li Manlin , Zhang Zengqiang , Ali Amajd , Wang Jim J. 
Published: January 2018

ABSTRACTAn aminothiourea chitosan modified magnetic biochar composite (TMBC) was prepared for the efficient removal of Cd(II) from wastewater. The synthesized materials were characterized, and the detailed adsorption mechanisms and thermodynamics were studied. The adsorption experiments revealed that TMBC had a higher affinity for Cd(II) than the magnetic biochar composite, raw biochar, and other carbon‐based adsorbents did. The Cd(II) adsorption process fit the pseudo‐second‐order kinetic model, and the maximum adsorption capacities on the basis of the Langmuir model were 93.72, 121.9, and 137.3 mg/g at 298, 308, and 318 K, respectively. The practical efficacy of the adsorbent was also tested with a real mine water. The metal‐ion‐loaded TMBC could be conveniently collected by a magnet and could be easily regenerated with adsorption efficiencies up to 84% after five adsorption–desorption cycles. The as‐prepared TMBC might be a promising adsorbent for the treatment of heavy‐metal‐ion‐contaminated water or highly mineralized mine water. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46239.
Density Functional Theory Mechanistic Study of Boron‐Catalyzed N‐Alkylation of Amines with Formic Acid: Formic Acid Activation by Silylation Reaction
Authors: Du Pan , Zhao Jiyang 
Published: January 2018

AbstractNew methodology for the alkylation of amines is an intriguing issue in both academia and industry. Recently, several groups reported the metal‐free B(C6F5)3‐catalyzed N‐alkylation of amines, but the mechanistic details of these important reactions are unclear. Herein, a computational study was performed to elucidate the mechanism of the N‐alkylation of amines with formic acid catalyzed by the Lewis acid B(C6F5)3 in the presence of hydrosilane. We found that the reaction started with the activation of formic acid through a novel model. Then, the high electrophilicity of the C center of the formic acid unit and the nucleophilic character of the amine resulted in a C−N coupling reaction. Finally, two sequential silyl‐group and H− transfer steps occurred to generate the final product. Upon comparing the reaction barrier and the hydrogenation of indole, our mechanism is more favorable than that proposed by the group of Yu and Fu.
CF3‐Inspired Synthesis of Air‐Tolerant 9‐Phosphaanthracenes that Feature Fluorescence and Crystalline Polymorphs
Authors: Ito Shigekazu , Koshino Kota , Mikami Koichi 
Published: January 2018

Abstract9‐Phosphaanthracene (dibenzo[b,e]phosphorin, acridophosphine) has attracted interest as one of the heavier acenes. Herein, we demonstrate an efficient synthetic process that provides air‐tolerant 1,8‐bis(trifluoromethyl)‐9‐phosphaanthracenes. The sterically encumbered and electron‐withdrawing trifluoromethyl (CF3) groups are quite advantageous not only to stabilize the intrinsically unstable heavier unsaturated phosphorus atom but also to facilitate construction of the phosphinine skeleton based on a putative increase in aromaticity. The isolated 9‐phosphaanthracenes allowed characterization of their fluorescence functionality and planar heteroanthracene frameworks. The crystal structures of 9‐phosphaanthracenes are remarkably dependent on the aryl substituents at the 10 position; anthryl‐substituted 9‐phosphaanthracene showed unique polymorphs that induced different‐colored crystals.
Synthesis of a Near‐Infrared BODIPY Dye for Bioimaging and Photothermal Therapy
Authors: Liu Yang , Song Nan , Chen Li , Liu Shi , Xie Zhigang 
Published: January 2018

AbstractThe development of robust photothermal agents for near‐infrared (NIR) imaging is a great challenge. Herein, we report the design and synthesis of a new photothermal agent, based on the aza‐boron‐dipyrromethene framework (azaBDP). This compound possessed excellent photostability and high photothermal‐conversion efficiency (50 %) under NIR laser irradiation. When the photothermal properties of this compound were utilized for tumor inhibition, stable long‐term fluorescence was observed in living animals. Photothermal treatment efficiently suppressed tumor growth, as evidenced by in vitro and in vivo experiments. Furthermore, NIR emission could be detected by using an imaging system and therapeutic self‐monitoring was achieved by using NIR imaging.
Effect of linkers on immobilization of scFvs with biotin–streptavidin interaction
Authors: Ikonomova Svetlana P. , Le Megan T. , Kalla Neha , Karlsson Amy J. 
Published: January 2018

AbstractSingle‐chain variable fragment antibodies (scFvs) are attractive for use in applications that require high specificity and binding to a target, such as biosensors. Previously, we demonstrated that a variety of scFvs can be immobilized onto a streptavidin surface through in vivo biotinylation of the biotin carboxyl carrier protein (BCCP) or smaller AviTag fused to the scFvs. However, the BCCP constructs showed better immobilization than the AviTag constructs. In this work, we investigated whether the discrepancy between the biotinylation tags could be alleviated by incorporating a flexible (G4S)n linker of varying lengths or a rigid (EA3K)3 linker between the biotinylation tags and the scFvs scFv13R4 and scFv5. Fusion of the (G4S)5 linker or the (G4S)3 linker to the AviTag construct of scFv13R4 or scFv5, respectively, and fusion of the (EA3K)3 linkers to the AviTag constructs of both scFvs enhanced immobilization. Meanwhile, the robust immobilization of the BCCP construct of the scFv constructs remained unaffected. The positive to neutral effects of the linkers, with no adverse effects, make them beneficial tools to incorporate into fusion proteins that show poor immobilization without a linker.
The Active Malformations Surveillance Program, Boston in 1972–2012: Methodology and demographic characteristics
Authors: Holmes Lewis B. , Nasri Hanah , Westgate Marie‐Noel , Toufaily M. Hassan , Lin Angela E. 
Published: January 2018

BackgroundMalformations surveillance programs have been carried out in consecutive populations of newborn infants at single hospitals, as well as in several hospitals in defined populations. A surveillance program begins with the review of the findings recorded by the examining pediatrician in each infant's medical record. The results of diagnostic tests, consultations, and imaging studies are obtained, also, from that infant's medical record. Some malformations surveillance programs identify additional malformations over several months, as the infants have hospitalizations and additional diagnostic testing.Methods289,365 infants (liveborn, stillborn, and fetuses in pregnancies terminated because of anomalies) were surveyed from 1972 to 2012 at an urban maternity center in Boston to identify each infant with one or more malformations. Each mother was interviewed to obtain demographic characteristics, results of prenatal testing, family history, and information about exposures in pregnancies. Specific diagnoses were established by the study geneticists.Results7,020 (2.4%) of the 289,365 infants surveyed had one or more malformations. The etiologies identified included chromosome abnormalities, phenotypes attributed to dominant or recessive autosomal or X‐linked mutations, vascular disruption, environmental factors, and complications of twinning.ConclusionThe surveillance of a large consecutive population of newborn infants, stillbirths, and aborted fetuses can identify with high reliability all infants with one or more malformations. This process of ascertainment of affected newborns can be used to improve genetic counseling, identify “new” phenotypes, and serve as a system for testing new technologies to establish more causes of congenital malformations.
Polydactyly, postaxial, type B
Authors: Holmes Lewis B. , Nasri Hanah , Hunt Anne‐Therese , Toufaily M. Hassan , Westgate Marie‐Noel 
Published: January 2018

BackgroundPostaxial polydactyly, type B is the most common type of polydactyly. The vestigial sixth finger is attached by a narrow neurovascular pedicle to the lateral aspect of the hand or foot at the level of the metacarpal‐phalangeal joint or the metatarsal‐phalangeal joint. The occurrence of this type of polydactyly varies among racial groups, by sex and sidedness. Postaxial polydactyly, type A is a fully developed extra digit on the lateral aspect of the hand or foot with a bifid fifth or sixth metacarpal/metatarsal and is much less common.MethodsIn a malformations surveillance program, the frequency in racial groups, sex ratio and the frequency of other anomalies can be established.ResultsFive hundred forty‐five affected infants were identified from 1972 to 2012 in the surveillance of 289,365 liveborn and stillborn infants and elective terminations because of fetal anomalies detected prenatally. Postaxial polydactyly, type B was an isolated anomaly in 95% of the affected newborns. There were more affected males than females. Black infants were affected more often than White infants: 0.91/100 vs. 0.035/100 infants. The dangling extra digit was much more common in the hands than in the feet.ConclusionsPostaxial polydactyly, type B is almost always an isolated, mild malformation with no medical significance. Postaxial polydactyly, types B and A occurred in several infants, suggesting that either the underlying mutation(s) can cause both types of postaxial polydactyly or that some affected infants have more than one mutation. Autosomal dominant inheritance with variable expressivity is postulated.
Synthesis and properties of blue luminescent bipolar materials constructed with carbazole and anthracene units with 4‐cyanophenyl substitute at the 9‐position of the carbazole unit
Authors: Xie Pengbo , Yuan Ningning , Li Shanji , Ouyang Ying , Zhu Yongju , Liang Hui 
Published: January 2018

AbstractWith carbazole and p‐cyanobromobenzene as raw materials, 4‐(3,6‐di (anthracen‐9‐yl)‐9H‐carbazol‐9‐yl)benzonitrile (DACB) and 4‐(3,6‐bis(anthracene ‐9‐ylethynyl)‐9H‐carbazol‐9‐yl)benzonitrile (BACB) were synthesized through the Suzuki coupling reaction and the Sonogashira coupling reaction, respectively. These structures were characterized using 1H nuclear magnetic resonance (NMR), elemental analysis and mass spectrometry. Their thermal properties, ultraviolet–visible (UV‐vis) absorption, fluorescence emission, fluorescence quantum yields and electrochemical properties were also investigated systematically. In addition, a electroluminescence (EL) device was made with BACB as the emitting layer and performance of the EL device was studied. Results showed that: (1) the temperature points with 5% and 10% of DACB weight loss were 443°C and 461°C, respectively, and were 475°C and 506°C with BACB weight loss of 5% and 10%, respectively. When the temperature was 50−300°C, no significantly thermal transition was observed which suggested that they had excellent thermal stability. (2) DACB and BACB had single emission peaks at 415 nm, and 479 nm with fluorescence quantum yields of 0.61 and 0.87, respectively, indicating that both compounds could emit strong blue light. (3) According to electrochemical measurement on BACB and DACB, their gaps were 3.07 eV and 2.76 eV, respectively, which further showed that these two compounds were very stable and acted as efficient blue light materials. (4) The turn‐on voltage of the device was 5 V, and the device emitted dark blue light with Commission Internationale de L'Eclairage (CIE) coordinates of (0.157, 0.079).