bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isomerization of Perylene Diimide Based Acceptors Enabling High‐Performance Nonfullerene Organic Solar Cells with Excellent Fill Factor
Authors: Luo Zhenghui , Liu Tao , Chen Zhanxiang , Xiao Yiqun , Zhang Guangye , Huo Lijun , Zhong Cheng , Lu Xinhui , Yan He , Sun Yanming , Yang Chuluo 
Published: January 2019

AbstractA strategy that employs the central‐core regiochemistry to develop two isomeric perylene diimide (PDI)‐based small molecular acceptors (SMAs), BPT‐Se and BPT‐Se1, is introduced, and the effect of the central‐core regiochemistry on the optical, electronic, charge‐transport, photovoltaic, and morphological properties of the molecules and their devices is investigated. The PDBT‐T1:BPT‐Se1‐based device delivers a power conversion efficiency (PCE) of 9.54% with an excellent fill factor (FF) of 73.2%, while the BPT‐Se‐based device yields a PCE of 7.78%. The large improvement of PCE upon isomerization of BPT‐Se should be ascribed to the concurrent enhancement of FF, short circuit current ( JSC), and open circuit voltage (VOC) of the PDBT‐T1:BPT‐Se1 devices. The higher FF of the organic solar cells (OSCs) based on PDBT‐T1:BPT‐Se1 can be attributed to the higher charge dissociation and charge collection efficiency, less bimolecular combination, more balanced µh/µe, better molecular packing and a more favorable morphology. It is worth mentioning that the FF of 73.2% is the highest value for PDI‐based SMAs OSCs to date. The result shows that regiochemistry of the central core in PDI‐based SMAs greatly affects the physicochemical properties and photovoltaic performance. The success of the isomerization strategy offers exciting prospects for the molecular design of PDI‐based SMAs.
Ectodermal dysplasias: Classification and organization by phenotype, genotype and molecular pathway
Authors: Wright John Timothy , Fete Mary , Schneider Holm , Zinser Madelaine , Koster Maranke I. , Clarke Angus J. , Hadj‐Rabia Smail , Tadini Gianluca , Pagnan Nina , Visinoni Atila F. , Bergendal Birgitta , Abbott Becky , Fete Timothy , Stanford Clark , Butcher Clayton , D'Souza Rena N. , Sybert Virginia P. , Morasso Maria I. 
Published: January 2019

AbstractAn international advisory group met at the National Institutes of Health in Bethesda, Maryland in 2017, to discuss a new classification system for the ectodermal dysplasias (EDs) that would integrate both clinical and molecular information. We propose the following, a working definition of the EDs building on previous classification systems and incorporating current approaches to diagnosis: EDs are genetic conditions affecting the development and/or homeostasis of two or more ectodermal derivatives, including hair, teeth, nails, and certain glands. Genetic variations in genes known to be associated with EDs that affect only one derivative of the ectoderm (attenuated phenotype) will be grouped as non‐syndromic traits of the causative gene (e.g., non‐syndromic hypodontia or missing teeth associated with pathogenic variants of EDA “ectodysplasin”). Information for categorization and cataloging includes the phenotypic features, Online Mendelian Inheritance in Man number, mode of inheritance, genetic alteration, major developmental pathways involved (e.g., EDA, WNT “wingless‐type,” TP63 “tumor protein p63”) or the components of complex molecular structures (e.g., connexins, keratins, cadherins).
In‐vitro evaluation of a ciprofloxacin‐ and ivacaftor‐coated sinus stent against Pseudomonas aeruginosa biofilms
Authors: Cho Do‐Yeon , Lim Dong‐Jin , Mackey Calvin , Weeks Christopher G. , Garcia Jaime A. Peña , Skinner Daniel , Zhang Shaoyan , McCormick Justin , Woodworth Bradford A. 
Published: January 2019

BackgroundWe recently developed a novel ciprofloxacin‐coated sinus stent capable of releasing antibiotics over a sustained period of time. Ivacaftor is a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator that has synergistic bactericidal activity with ciprofloxacin and also enhances sinus mucociliary clearance. The objective of this study was to optimize and evaluate the efficacy of a ciprofloxacin‐ and ivacaftor‐releasing biodegradable sinus stent (CISS) in vitro.MethodsA CISS was created by coating ciprofloxacin/ivacaftor‐embedded nanoparticles with an acrylate and ammonium methacrylate copolymer onto a biodegradable poly‐L‐lactic acid stent. In‐vitro evaluation of the CISS included: (1) assessment of drug stability in nanoparticles by zeta potential, and drug‐coating stability within the CISS using scanning electron microscopy (SEM); (2) determination of ciprofloxacin‐ and ivacaftor‐release kinetics; and (3) assessment of anti‒Pseudomonas aeruginosa biofilm formation by calculating relative optical density units (RODUs) compared with control stents at 590‐nm optical density.ResultsThe presence of drugs and a uniform coating on the stent were confirmed by zeta potential and SEM. Sustained drug release was observed through 21 days without an initial burst release. Anti‐biofilm formation was observed after placing the CISS for 3 days onto a preformed 1‐day P aeruginosa biofilm. The CISS significantly reduced biofilm mass compared with bare stents and controls (RODUs at 590‐nm optical density; CISS, 0.31 ± 0.01; bare stent, 0.78 ± 0.12; control, 1.0 ± 0.00; p = 0.001; n = 3).ConclusionThe CISS maintains a uniform coating and sustained delivery of drugs providing a marked reduction in P aeruginosa biofilm formation. Further studies evaluating the efficacy of CISS in a preclinical model are planned.
Does bilateral inferior turbinate reduction affect long‐term quality‐of‐life outcomes in patients undergoing endoscopic sinus surgery?
Authors: Scangas George A. , Bleier Benjamin S. , Husain Qasim , Holbrook Eric H. , Gray Stacey T. , Metson Ralph 
Published: January 2019

BackgroundThe objective of this study was to evaluate the impact of bilateral inferior turbinate reduction (BITR) on patient‐reported quality of life (QOL) following endoscopic sinus surgery (ESS) for chronic rhinosinusitis (CRS).MethodsThis was a prospective cohort study. Patients with CRS, who were recruited from 10 different otolaryngologic practices between 2011 and 2014, completed the 22‐item Sino‐Nasal Outcome Test (SNOT‐22), Chronic Sinusitis Survey (CSS), and EuroQol 5 Dimension (EQ‐5D) survey at baseline, and at 12, 24, 36, and 48 months after ESS. A total of 113 patients who underwent ESS with BITR were compared to 788 patients who underwent ESS without BITR.ResultsSignificant demographic and comorbid differences between BITR and non‐BITR cohorts included age (41 vs 49 years, p < 0.0001), presence of asthma (19% vs 36%, p < 0.0001), prior sinus surgery (22% vs 53%, p < 0.0001), and concurrent septoplasty (80% vs 53%, p < 0.0001), respectively. On univariate analysis, patients who underwent ESS with or without BITR were found to have statistically significant improvement in disease‐specific (SNOT‐22 and CSS) and general (EQ‐5D) QOL scores at years 1 through 4 (p < 0.05). On multivariate regression, however, the performance of BITR was not associated with any improvements in these outcome measures.ConclusionPatients undergoing ESS achieve similar long‐term improvement in both disease‐specific and general QOL regardless of the performance of concurrent BITR.
Single‐Electron Pumps and Quantum Current Metrology in the Revised SI
Authors: Scherer Hansjörg , Schumacher Hans Werner 
Published: January 2019

AbstractThe consequences of the revision of the International System of Units for electrical quantum metrology are discussed herein. Possible applications of single‐electron transport pump devices and other topical state‐of‐the‐art metrology methodologies based on quantum electrical effects are reviewed, with a focus on their potential for and implications on electrical metrology in the future.
Thermoresponsive Polymer Brush Modulation on the Direction of Motion of Phoretically Driven Janus Micromotors
Authors: Ji Yuxing , Lin Xiankun , Zhang Hongyue , Wu Yingjie , Li Junbai , He Qiang 
Published: January 2019

AbstractWe report a thermoresponsive poly(N‐isopropylacrylamide) (PNIPAM) brush functionalized Janus Au–Pt bimetallic micromotor capable of modulating the direction of motion with the change of the ambient temperature. The PNIPAM@Au–Pt micromotor moved along the Au–Pt direction with a speed of 8.5 μm s−1 in 1.5 % H2O2 at 25 °C (below the lower critical solution temperature (LCST) of PNIPAM), whereas it changed the direction of motion (i.e., along the Pt–Au direction) and the speed decreased to 2.3 μm s−1 at 35 °C (above LCST). Below LCST, PNIPAM brushes grafted on the Au side were hydrophilic and swelled, which permitted the electron transfer and proton diffusion on the Au side, and thus the motion is regarded as a self‐electrophoretic mechanism. However, PNIPAM brushes above LCST became hydrophobic and collapsed, and thus the driving mechanism switched to the self‐diffusiophoresis like that of Pt‐modified Janus silica motors. These motors could reversibly change the direction of motion with the transition of the hydrophobic and hydrophilic states of the grafted PNIPAM brushes. Such a thermoresponsive polymer brush functionalization method provides a new strategy for engineering the kinematic behavior of phoretically driven micro/nanomotors.
Mechanismusabhängige Regulation der ultraschnellen Dynamik von Wasser an Grenzflächen in Komplexen mit intrinsisch ungeordneten Proteinen
Authors: Chowdhury Aritra , Kovalenko Sergey A. , Aramburu Iker Valle , Tan Piau Siong , Ernsting Nikolaus P. , Lemke Edward A. 
Published: January 2019

AbstractIn diesem Beitrag wird das Zusammenspiel von Dynamik und Molekülerkennung bei intrinsisch ungeordneten Proteinen (IDPs) durch die Anwendung von zeitauflösenden Messtechniken im fs‐ bis ns‐Bereich beleuchtet. Die Konformations‐ und Wasserdynamik an Grenzflächen sowie deren Abschwächung durch die Bindung an ein Partnermolekül wurde anhand zweier IDPs, IBB und Nup153FG, untersucht. Beide Proteine binden an denselben Transportrezeptor (Importinβ), jedoch durch grundlegend verschiedene Bindungsmechanismen. Die Fluktuation des Lösungsmittels an der dynamischen Grenzfläche des Nup153FG‐Importinβ‐Komplexes blieb weitgehend ungestört und beschleunigte sich leicht im Vergleich zum ungebundenen Zustand. Im Gegensatz dazu wurde im IBB‐Importinβ‐Komplex eine beträchtliche relative Verlangsamung der Wasserdynamik an der starreren Grenzfläche beobachtet. Die Ergebnisse zeigen eine Korrelation zwischen der Hydratationsdynamik an Grenzflächen und der Plastizität von IDP‐Komplexen, was eine funktionelle Relevanz einer solchen Regulation impliziert, insbesondere auch für den nukleozytoplasmatischen Transport.
Light‐Gated Synthetic Protocells for Plasmon‐Enhanced Chemiosmotic Gradient Generation and ATP Synthesis
Authors: Chen Zhaowei , De Queiros Silveira Gleiciani , Ma Xuedan , Xie Yunsong , Wu Yimin A. , Barry Edward , Rajh Tijana , Fry H. Christopher , Laible Philip D. , Rozhkova Elena A. 
Published: January 2019

AbstractHerein, we present a light‐gated protocell model made of plasmonic colloidal capsules (CCs) assembled with bacteriorhodopsin for converting solar energy into electrochemical gradients to drive the synthesis of energy‐storage molecules. This synthetic protocell incorporated an important intrinsic property of noble metal colloidal particles, namely, plasmonic resonance. In particular, the near‐field coupling between adjacent metal nanoparticles gave rise to strongly localized electric fields and resulted in a broad absorption in the whole visible spectra, which in turn promoted the flux of photons to bacteriorhodopsin and accelerated the proton pumping kinetics. The cell‐like potential of this design was further demonstrated by leveraging the outward pumped protons as “chemical signals” for triggering ATP biosynthesis in a coexistent synthetic protocell population. Hereby, we lay the ground work for the engineering of colloidal supraparticle‐based synthetic protocells with higher‐order functionalities.
Die selektive Arenhydrierung bietet einen direkten Zugang zu gesättigten Carbo‐ und Heterocyclen
Authors: Wiesenfeldt Mario P. , Nairoukh Zackaria , Dalton Toryn , Glorius Frank 
Published: January 2019

AbstractDie Arenhydrierung bietet einen direkten Zugang zu gesättigten Carbo‐ und Heterocyclen und kann daher zur Verkürzung von Synthesewegen genutzt werden. Diese nützliche Transformation wird industriell verwendet und sollte weitere Durchbrüche in den angewandten Wissenschaften ermöglichen. Von zentraler Bedeutung für die Anwendung bei der Herstellung komplexer Moleküle ist die Kontrolle der Diastereo‐, Enantio‐ und Chemoselektivität. Im Allgemeinen ergibt die Hydrierung multisubstituierter Arene überwiegend das cis‐Isomer. Die Enantiokontrolle kann über chirale Auxiliare, Brønsted‐Säuren oder Übergangsmetallkatalysatoren erfolgen. Jüngere Arbeiten zeigen hoch chemoselektive Transformationen. Derartige Verfahren und die zugrunde liegenden Strategien werden hier erläutert, wobei der Schwerpunkt auf präparativ nützlichen Reaktion mit leicht verfügbaren Katalysatoren liegt.
Permeation von kleinen Molekülen durch Membrankanäle: Chemische Modifikation zur Quantifizierung des Transports über OmpF
Authors: Wang Jiajun , Bafna Jayesh Arun , Bhamidimarri Satya Prathyusha , Winterhalter Mathias 
Published: January 2019

AbstractBiologische Kanäle erleichtern den Austausch von Molekülen über Membranen, es fehlen jedoch allgemeine Instrumente zur Quantifizierung des Transports. Häufig werden die funktionellen Eigenschaften von Membrankanälen mittels Elektrophysiologie untersucht. Frühere Studien der Ionenstromfluktuationen lassen jedoch keinen Rückschluss auf einen erfolgreichen Transport zu, d. h. die Unterscheidung zwischen einer Translokation und nur Bindung. Um beide Prozesse zu unterscheiden, wurde eine zusätzliche Barriere am Kanalausgang eingefügt, die als Zähler erfolgreicher Permeation dient. Hierzu vergleichen wir die Aufenthaltsdauer der Moleküle im nativen Kanal (wt) mit einer am Ausgang chemisch modifizierten Cysteinmutante. Als Beispiel verwenden wir den gut untersuchten Außenmembrankanal von E. coli, OmpF. Wie dessen bekannter Struktur zu entnehmen ist, ist die Glutaminsäure E181 unterhalb des Selektionsfilters und daher optimal geeignet. Das einzige Cystein im ansonsten cysteinfreien Protein wird über eine kovalente Bindung mit einem der beiden Blocker unterschiedlicher Größe (MTSES oder GLT) funktionalisiert. Mit diesem Konstrukt wird der Durchgang von unterschiedlichen Polyargininen als Model quantifiziert. In einer weiteren Messreihe wird Norfloxacin als Beispiel für die Permeation von Antibiotika untersucht.
Selective Emergence of the Halogen Bond in Ground and Excited States of Noble‐Gas–Chlorine Systems
Authors: Pirani Fernando , Cappelletti David , Falcinelli Stefano , Cesario Diego , Nunzi Francesca , Belpassi Leonardo , Tarantelli Francesco 
Published: January 2019

AbstractMolecular‐beam scattering experiments and theoretical calculations prove the nature, strength, and selectivity of the halogen bonds (XB) in the interaction of halogen molecules with the series of noble gas (Ng) atoms. The XB, accompanied by charge transfer from the Ng to the halogen, is shown to take place in, and measurably stabilize, the collinear conformation of the adducts, which thus becomes (in contrast to what happens for other Ng‐molecule systems) approximately as bound as the T‐shaped form. It is also shown how and why XB is inhibited when the halogen molecule is in the 3Πu excited state. A general potential formulation fitting the experimental observables, based on few physically essential parameters, is proposed to describe the interaction accurately and is validated by ab initio computations.
Mechanism‐Dependent Modulation of Ultrafast Interfacial Water Dynamics in Intrinsically Disordered Protein Complexes
Authors: Chowdhury Aritra , Kovalenko Sergey A. , Aramburu Iker Valle , Tan Piau Siong , Ernsting Nikolaus P. , Lemke Edward A. 
Published: January 2019

AbstractThe recognition of intrinsically disordered proteins (IDPs) is highly dependent on dynamics owing to the lack of structure. Here we studied the interplay between dynamics and molecular recognition in IDPs with a combination of time‐resolving tools on timescales ranging from femtoseconds to nanoseconds. We interrogated conformational dynamics and surface water dynamics and its attenuation upon partner binding using two IDPs, IBB and Nup153FG, both of central relevance to the nucleocytoplasmic transport machinery. These proteins bind the same nuclear transport receptor (Importinβ) with drastically different binding mechanisms, coupled folding–binding and fuzzy complex formation, respectively. Solvent fluctuations in the dynamic interface of the Nup153FG‐Importinβ fuzzy complex were largely unperturbed and slightly accelerated relative to the unbound state. In the IBB‐Importinβ complex, on the other hand, substantial relative slowdown of water dynamics was seen in a more rigid interface. These results show a correlation between interfacial water dynamics and the plasticity of IDP complexes, implicating functional relevance for such differential modulation in cellular processes, including nuclear transport.
Exploiting the Hydrogen Bond Donor/Acceptor Properties of PN‐Heterocycles: Selective Anion Receptors for Hydrogen Sulfate
Authors: Deng Chun‐Lin , Bard Jeremy P. , Lohrman Jessica A. , Barker Joshua E. , Zakharov Lev N. , Johnson Darren W. , Haley Michael M. 
Published: January 2019

AbstractWe describe two novel hybrid receptors combining a phosphorus‐/nitrogen‐containing (PN) phosphonamidate heterocycle with urea recognition units in an arylethynyl backbone. Structural, spectroscopic and computational studies reveal that the origin of superior binding for hydrogen sulfate (HSO4−) anion is correlated with the formation of strong hetero‐complementary hydrogen bonds with the phosphonamidate motif. We further demonstrate that the hybrid host system is capable of capturing/transporting the HSO4−anion from an aqueous, biphasic system.
Near‐Infrared Afterglow Semiconducting Nano‐Polycomplexes for the Multiplex Differentiation of Cancer Exosomes
Authors: Lyu Yan , Cui Dong , Huang Jiaguo , Fan Wenxuan , Miao Yansong , Pu Kanyi 
Published: January 2019

AbstractThe detection of exosomes is promising for the early diagnosis of cancer. However, the development of suitable optical sensors remains challenging. We have developed the first luminescent nanosensor for the multiplex differentiation of cancer exosomes that bypasses real‐time light excitation. The sensor is composed of a near‐infrared semiconducting polyelectrolyte (ASPN) that forms a complex with a quencher‐tagged aptamer. The afterglow signal of the nanocomplex (ASPNC), being initially quenched, is turned on in the presence of aptamer‐targeted exosomes. Because detection of the afterglow takes place after the excitation, background signals are minimized, leading to an improved limit of detection that is nearly two orders of magnitude lower than that of fluorescence detection in cell culture media. Also, ASPNC can be easily tailored to detect different exosomal proteins by changing the aptamer sequence. This enables an orthogonal analysis of multiple exosome samples, potentially permitting an accurate identification of the cellular origin of exosomes for cancer diagnosis.
Damage growth‐based constitutive model of satin weave composites under different temperatures and strain rates
Authors: Hu Xueyao , Guo Weiguo , Wang Jianjun , Yuan Kangbo 
Published: January 2019

ABSTRACTIn this study, a constitutive model, which took into account the temperature and strain rate dependences of progressive damage behavior, was developed to describe the compressive behavior of satin weave carbon/epoxy composites over the temperature range of 298–448 K and strain rate range of 0.001–1100 s−1. To further understand the mechanical behavior of satin weave carbon/epoxy composites, systematic experiments were first conducted using electronic universal testing machine and enhanced split Hopkinson pressure bar (SHPB) system. In addition, the progressive damage mechanism was observed with scanning electron microscope (SEM) and digital image correlation (DIC) technique. Results showed that the modulus and damage growth of composites are temperature and strain rate sensitive. Under quasi‐static compression, failure mode changed from shear fracture to kink‐band formation with increasing temperature. Samples failed predominantly by delamination under dynamic compression. It is shown that the mechanical behavior of satin weave composites obtained by the constitutive model agrees well with the experimental data over a wide range of temperature and strain rate. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47575.
Synergistic effects of polyethylene glycol and organic montmorillonite on the plasticization and enhancement of poly(lactic acid)
Authors: Chen Wenting , Chen Hao , Yuan Ya , Peng Shaoxian , Zhao Xipo 
Published: January 2019

ABSTRACTPoly(lactic acid) (PLA)/polyethylene glycol (PEG)/organic montmorillonite (OMMT) composites were prepared by melt blending, and their mechanical, rheological behavior, crystalline behavior, and thermal stability were investigated. Results showed that the elongation‐at‐break and notch‐impact strength of PLA/15PEG/1.5OMMT were 466.45% and 4.34 kJ m−2, respectively, which were nearly 42 and 2 times higher than those of PLA, respectively. The elongation‐at‐break of PLA/15PEG/1.5OMMT was also 33 times higher than that of PLA/15PEG and 30 times that of PLA/1.5OMMT. With addition of PEG, PLA chains could insert to OMMT effectively and increase the layer space of OMMT. The characteristics of dynamic behavior and fracture morphology showed that the plasticizer PEG could soften the PLA matrix, leading to easy plastic deformation. OMMT was well distributed in the PLA matrix and able to transfer the stress of external forces, thereby contributing to the matrix yielding initiation and expansion of polymer composites. The synergistic effect of OMMT and PEG was determined by studying the mechanical properties of PLA/PEG/OMMT composite. Differential scanning calorimetry and thermogravimetry studies revealed that OMMT as a nucleating agent improved crystallization and thermal stability. Thus, the synergistic effect of OMMT and PEG balanced the stiffness and toughness of PLA. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47576.
Continuation of structure–activity relationship study of novel benzamide derivatives as potential antipsychotics
Authors: Xu Mingshuo , Guo Shuang , Yang Feipu , Wang Yu , Wu Chunhui , Jiang Xiangrui , Zhao Qingjie , Chen Weiming , Tian Guanghui , Zhu Fuqiang , Xie Yuanchao , Hu Tianwen , Wang Zhen , He Yang , Shen Jingshan 
Published: January 2019

AbstractA series of benzamide derivatives possessing potent dopamine D2, serotonin 5‐HT1A, and 5‐HT2A receptor properties were synthesized and evaluated as potential antipsychotics. Among them, 5‐(4‐(4‐(benzo[d]isothiazol‐3‐yl)piperazin‐1‐yl)butoxy)‐N‐cyclopropyl‐2‐fluorobenzamide (4k) held the best pharmacological profile. It not only exhibited potent and balanced activities for the D2, 5‐HT1A, and 5‐HT2A receptors, but was also endowed with low to moderate activities for the 5‐HT2C, H1, and M3 receptors, suggesting a low propensity for inducing weight gain or diabetes. In animal models, compound 4k reduced phencyclidine‐induced hyperactivity with a high threshold for catalepsy or muscle relaxation induction. On the basis of its robust in vitro potency and in vivo efficacy in preclinical models of schizophrenia, 4k was selected as a candidate for further development.