bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel pooled‐sample multiplex luminex assay for high‐throughput measurement of relative telomere length
Authors: Jasmine Farzana , Shinkle Justin , Sabarinathan Mekala , Ahsan Habibul , Pierce Brandon L. , Kibriya Muhammad G. 
Published: March 2018

AbstractObjectivesRelative telomere length (RTL) is a potential biomarker of aging and risk for chronic disease. Previously, we developed a probe‐based RTL assay on Luminex platform, where probes for Telomere (T) and reference gene (R) for a given DNA sample were tested in a single well. Here, we describe a method of pooling multiple samples in one well to increase the throughput and cost‐effectiveness.MethodsWe used four different microbeads for the same T‐probe and four different microbeads for the same R‐probe. Each pair of probe sets were hybridized to DNA in separate plates and then pooled in a single plate for all the subsequent steps. We used DNA samples from 60 independent individuals and repeated in multiple batches to test the precision.ResultsThe precision was good to excellent with Intraclass correlation coefficient (ICC) of 0.908 (95% CI 0.856–0.942). More than 67% of the variation in the RTL could be explained by sample‐to‐sample variation; less than 0.1% variation was due to batch‐to‐batch variation and 0.3% variation was explained by bead‐to‐bead variation. We increased the throughput of RTL Luminex assay from 60 to 240 samples per run. The new assay was validated against the original Luminex assay without pooling (r = 0.79, P = 1.44 × 10−15). In an independent set of samples (n = 550), the new assay showed a negative correlation of RTL with age (r = −0.41), a result providing external validation for the method.ConclusionWe describe a novel high throughput pooled‐sample multiplex Luminex assay for RTL with good to excellent precision suitable for large‐scale studies.
Entropic Dynamics: Quantum Mechanics from Entropy and Information Geometry
Authors: Caticha Ariel 
Published: March 2018

AbstractEntropic Dynamics (ED) is a framework in which Quantum Mechanics (QM) is derived as an application of entropic methods of inference. The magnitude of the wave function is manifestly epistemic: its square is a probability distribution. The epistemic nature of the phase of the wave function is also clear: it controls the flow of probability. The dynamics is driven by entropy subject to constraints that capture the relevant physical information. The central concern is to identify those constraints and how they are updated. After reviewing previous work I describe how considerations from information geometry allow us to derive a phase space geometry that combines Riemannian, symplectic, and complex structures. The ED that preserves these structures is QM. The full equivalence between ED and QM is achieved by taking account of how gauge symmetry and charge quantization are intimately related to quantum phases and the single‐valuedness of wave functions.
Optical Switch Based on Dressed Intracavity Dark States
Authors: Guo Miaodi , Su Xuemei 
Published: March 2018

AbstractWe present a scheme to realize two‐direction optical switch by a single‐mode optical cavity containing some four‐level atoms. The high switching efficiency can be obtained through low photon loss and large third‐order nonlinear susceptibility of this N‐type atomic system in cavity. Without the microwave source, it can be reduced to a Λ‐type atomic system where a coupling laser is used to realize single intracavity electromagnetically induced transparency (EIT). Namely, the probe field can be transmitted almost totally at resonance. Thus a two‐direction optical switch is operated and the state for forward (backward) direction is set as “open” (“closed”). When microwave source is introduced, dressed splitting of intracavity dark state happens. The probe field is reflected almost completely at resonance and the state of the optical switch at forward and backward directions (transmitted and reflected channels) is shifted as “closed” and “open”, respectively. Moreover, this scheme is much advantageous to realize splitting of intracavity dark state because weak microwave field () induces the coupling between intracavity dark state and one sublevel of ground state. While a strong pump laser () which couples the intracavity dark state with an excited level is applied to realize this splitting in ref. [Phys. Rev. A 85 013814 (2012)].
Temperature‐Correlated Afterglow of a Semiconducting Polymer Nanococktail for Imaging‐Guided Photothermal Therapy
Authors: Zhen Xu , Xie Chen , Pu Kanyi 
Published: March 2018

AbstractNanoparticles for photothermal therapy: Real‐time temperature monitoring is critical to reduce the nonspecific damage during photothermal therapy (PTT); however, PTT agents that can emit temperature‐related signals are rare and limited to few inorganic nanoparticles. We herein synthesize a semiconducting polymer nanococktail (SPNCT) that can not only convert photo‐energy to heat but also emit temperature‐correlated luminescence after cessation of light excitation. Such an afterglow luminescence of the SPNCT detects tumors more sensitively than fluorescence as a result of the elimination of tissue autofluorescence, while its temperature‐dependent nature allows tumor temperature to be optically monitored under near‐infrared (NIR) laser irradiation. Thus, SPNCT represents the first organic optical nanosystem that enables optical‐imaging guided PTT without real‐time light excitation.
Synthesis of C2 Substituted Benzothiophenes via an Interrupted Pummerer/[3,3]‐Sigmatropic/1,2‐Migration Cascade of Benzothiophene S‐Oxides
Authors: He Zhen , Shrives Harry J. , Fernández‐Salas José A. , Abengózar Alberto , Neufeld Jessica , Yang Kevin , Pulis Alexander P. , Procter David J. 
Published: March 2018

AbstractFunctionalized benzothiophenes are important scaffolds found in molecules with wide ranging biological activity and in organic materials. We describe an efficient, metal‐free synthesis of C2 arylated, allylated, and propargylated benzothiophenes. The reaction utilizes synthetically unexplored yet readily accessible benzothiophene S‐oxides and phenols, allyl‐, or propargyl silanes in a unique cascade sequence. An interrupted Pummerer reaction between benzothiophene S‐oxides and the coupling partners yields sulfonium salts that lack aromaticity and therefore allow facile [3,3]‐sigmatropic rearrangement. The subsequently generated benzothiophenium salts undergo a previously unexplored 1,2‐migration to access C2 functionalized benzothiophenes.
Samarium Polystibides Derived from Highly Activated Nanoscale Antimony
Authors: Schoo Christoph , Bestgen Sebastian , Egeberg Alexander , Klementyeva Svetlana , Feldmann Claus , Konchenko Sergey N. , Roesky Peter W. 
Published: March 2018

AbstractZintl ions in molecular compounds are of fundamental interest for basic research and application. Two reactive antimony sources are presented that allow direct access to molecular polystibide compounds. These are Sb amalgam (Sb/Hg) and ultrasmall Sb0 nanoparticles (d=6.6±0.8 nm), which were used independently as precursors for the synthesis of the largest f‐element polystibide, [(Cp*2Sm)4Sb8]. Whereas the reaction of the nanoparticles with [Cp*2Sm] directly led to [(Cp*2Sm)4Sb8], Sm/Sb/Hg intermediates were isolated when using Sb/Hg as the precursor. These Sm/Sb/Hg intermediates [{(Cp*2Sm)2Sb}2(μ‐Hg)] and [{(Cp*2Sm)3(μ4,η1:2:2:2‐Sb4)}2Hg] were synthetically trapped and structurally characterized, giving insight in the formation mechanism of polystibide compounds.
Relationship between the interfacial tension and compatibility of polycarbonate and poly(acrylonitrile–butadiene–styrene) blends with reactive compatibilizers
Authors: Ryu Seung Chan , Kim Jae Young , Kim Woo Nyon 
Published: March 2018

ABSTRACTWe studied the morphological, mechanical, and rheological properties of polycarbonate (PC) and poly(acrylonitrile–butadiene–styrene) (PolyABS) blends with different types of compatibilizer. Styrene–acrylonitrile–maleic anhydride terpolymer (SAM) was used as a compatibilizer of the blends. For comparison, styrene–acrylonitrile–glycidyl methacrylate terpolymer (SAG) was also used as a compatibilizer. For the PC–PolyABS (70/30 wt %) blends with SAM, the mechanical strength and complex viscosity reached a maximum when the SAM concentration was 5 phr. The mechanical and rheological results of the blend were consistent with the morphological result that the PolyABS domain size reached a minimum when the SAM content was 5 phr. The interfacial tension (α) of the blend was compared with the compatibilizer type and content, which were calculated by the Palierne emulsion model with the relaxation time of the PC–PolyABS blend. The α is consistent with the morphological and mechanical properties of the PC–PolyABS blend. The results of the morphological, mechanical, and rheological properties of the blend suggest that SAM was a more effective compatibilizer than SAG, and the optimum compatibilizer content of SAM was 5 phr. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46418.
Synthesis, biological evaluation, and docking studies of some 5‐chloro‐2(3H)‐benzoxazolone Mannich bases derivatives as cholinesterase inhibitors
Authors: Uysal Sirin , Parlar Sulunay , Tarikogullari Ayse H. , Aydin Kose Fadime , Alptuzun Vildan , Soyer Zeynep 
Published: March 2018

AbstractA series of N‐substituted‐5‐chloro‐2(3H)‐benzoxazolone derivatives were synthesized and evaluated for their acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) inhibitory, and antioxidant activities. The structures of the title compounds were confirmed by spectral and elemental analyses. The cholinesterase (ChE) inhibitory activity studies were carried out using Ellman's colorimetric method. The free radical scavenging activity was also determined by in vitro ABTS (2,2‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid)) assay. The biological activity results revealed that all of the title compounds displayed higher AChE inhibitory activity than the reference compound, rivastigmine, and were selective for AChE. Among the tested compounds, compound 7 exhibited the highest inhibition against AChE (IC50 = 7.53 ± 0.17 μM), while compound 11 was found to be the most active compound against BuChE (IC50 = 17.50 ± 0.29 μM). The molecular docking study of compound 7 showed that this compound can interact with the catalytic active site (CAS) of AChE and also has potential metal chelating ability and a proper log P value. On the other hand, compound 2 bearing a methyl substituent at the ortho position on the phenyl ring showed better radical scavenging activity (IC50 = 1.04 ± 0.04 mM) than Trolox (IC50 = 1.50 ± 0.05 mM).
Controlled Assembly of Porphyrin‐MoS2 Composite Nanosheets for Enhanced Photoelectrochemical Performance
Authors: Wu Wenzhuo , Wei Cong , Lin Xiangcheng , Xu Qun 
Published: March 2018

AbstractAs a promising non‐precious metal photoelectrochemical (PEC) catalyst, MoS2 exhibits high electrocatalytic activity and stability, while the weak light absorption efficiency and low photoresponse current limit its practical application. Herein, a facile co‐assembly approach is proposed to construct porphyrin‐MoS2 composite photoelectrocatalysts. The as‐prepared photoelectrocatalysts show a significantly enhanced photocurrent response as high as 16 μA cm−2, which is about 2 times higher than that of bare MoS2. Furthermore, the obtained porphyrin‐MoS2 catalysts exhibit excellent durability when tested for 23000 s, thus providing a useful strategy for the design of highly efficient dye‐sensitized PEC catalysts.
Understanding and designing head‐to‐tail cyclic peptides
Authors: Slough Diana P. , McHugh Sean M. , Lin Yu‐Shan 
Published: March 2018

AbstractCyclic peptides (CPs) are an exciting class of molecules with a variety of applications. However, design strategies for CP therapeutics, for example, are generally limited by a poor understanding of their sequence–structure relationships. This knowledge gap often leads to a trial‐and‐error approach for designing CPs for a specific purpose, which is both costly and time‐consuming. Herein, we describe the current experimental and computational efforts in understanding and designing head‐to‐tail CPs along with their respective challenges. In addition, we provide several future directions in the field of computational CP design to improve its accuracy, efficiency and applicability. These advances, combined with experimental techniques, shall ultimately provide a better understanding of these interesting molecules and a reliable working platform to rationally design CPs with desired characteristics.
Electrochemical Biosensor for MicroRNA Detection Based on Cascade Hybridization Chain Reaction
Authors: Liang Meijuan , Pan Min , Hu Jialing , Wang Fuan , Liu Xiaoqing 
Published: March 2018

AbstractThe development of effective strategies for sensitive and specific detection of microRNAs will facilitate clinical diagnostics. Here, we utilize cascade hybridization chain reaction as an enzyme‐free isothermal amplified strategy, and construct label‐free electrochemical biosensors for microRNAassay. MicroRNA initiated autonomous assembly of DNA nanostructures through the toehold‐mediated strand displacement reaction. The assembly behavior was examined by gel electrophoresis and morphology of branched DNA nanostructure was verified by atomic force microscope. This cascade hybridization chain reaction leads to extended growth of DNA chains and higher amplification efficiency compared with the regular hybridization chain reaction. The performance of the sensors was characterized by electrochemical impedance spectroscopy, differential pulse voltammetry, and chronocoulometric analysis. The prepared biosensor exhibits high sensitivity and a lower detection limit of 11 pM for the determination of microRNA‐21. This electrochemical assay based on cascade hybridization chain reaction is specific and can distinguish between highly homologous targets such as fully complementary target microRNA‐21, single, or two‐base mismatched sequences and other family members. These findings open the possibility of using cascade hybridization chain reaction as possible amplified electrochemical sensing platforms.
Dibenzo[a,e]pentalenophanes: Bending a Non‐Alternant Hydrocarbon
Authors: Hermann Mathias , Wassy Daniel , Kratzert Daniel , Esser Birgit 
Published: March 2018

AbstractIn cyclophanes, an aromatic moiety is incorporated into a (strained) cyclic structure. Of particular interest as model systems for bent carbon nanostructures are those containing polycyclic aromatic hydrocarbons. Dibenzo[a,e]pentalene (DBP) is a non‐alternant polycyclic hydrocarbon with small band gap and tunable optoelectronic properties. However, changing these properties by bending of the DBP structure has yet to be investigated. Herein, we report the synthesis, optoelectronic, and structural properties of (2,7)dibenzo[a,e]pentalenophanes with four different bridge sizes and bending angles of the DBP unit, accompanied by (TD)DFT calculations. The last, strain‐inducing dehydration reaction was accomplished by using Burgess’ reagent. The HOMO and LUMO levels and the magnetic shielding of protons pointing inside the cyclophane cavity grew stepwise with increasing ring strain. Single‐crystal X‐ray structures of the smallest three derivatives revealed a near semi‐circle and a bend angle of the DBP unit of almost 88° for the smallest derivative. We demonstrated the synthetic versatility of our approach by varying the substituents at the DBP unit, allowing for further tuning of optoelectronic properties. The synthetic strategy presented herein may pave the way for the synthesis of conjugated DBP nanorings.
Towards the Next Generation of Lochmann–Schlosser Superbases: A Potassium Neopentyl/Alkoxy Aggregate used in the Tetra‐Functionalization of Ferrocene
Authors: Jennewein Bianca , Kimpel Sascha , Thalheim Daniel , Klett Jan 
Published: March 2018

AbstractLochmann–Schlosser superbases are formed by mixing alkyllithium with potassium alkoxides. These reagents could prove their synthetic usefulness and reliability in many reactions over five decades. However, despite many efforts, the real source of the exceptional reactivity remained a secret. The seemingly manageable system of four components (lithium, potassium atoms, alkyl groups, and alkoxy groups) and their interaction is obscured by poor solubility and fierce reactivity. Recent progress was achieved by using neopentyllithium, leading to alkane‐soluble aggregates with varying lithium/potassium content and a flexible alkyl/alkoxy ratio. Herein, we isolated two new alkane‐soluble alkyl/alkoxy mixed aggregates, [Li4KNp2(OtBu)3] and [K4Np(OtAm)3]. The latter compound is a thermally stable three‐component potassium alkyl/alkoxy base with well‐defined stoichiometry, in contrast to lithium‐containing Lochmann–Schlosser bases with variable metal and alkyl/alkoxy content. In a simple protocol, this potassium‐base gave tetrametalated ferrocene, which was converted into 1,1′,3,3′‐ferrocenetetracarboxylic acid by reaction with CO2. A subsequent conversion into the methyl ester allowed its separation from accompanying di‐ and tri‐substituted ferrocenes.
Synthesis and Immunological Studies of Oligosaccharides that Consist of the Repeating Unit of Streptococcus pneumoniae Serotype 3 Capsular Polysaccharide
Authors: Xiong Chenghe , Feng Shaojie , Qiao Yin , Guo Zhongwu , Gu Guofeng 
Published: March 2018

AbstractA highly convergent and efficient strategy was developed for the chemical synthesis of complex oligosaccharides of Streptococcus pneumoniae type 3 capsular polysaccharides that contain multiple glucuronic acid units. Once the oligoglucosides were efficiently and stereoselectively assembled, the designated glucose units were regioselectively oxidized to glucuronic acid in one step at the final synthetic stage, which helped avoid difficult glycosylations that involved glucuronic acid. The target oligosaccharides had a free amino group at the reducing terminus and varied caps at the non‐reducing terminus to enable further modification and structure–activity relationship studies. Immunological evaluations of the oligosaccharide–tetanus toxoid conjugates showed that they elicited robust T‐cell‐dependent immunoglobulin G antibody responses and that the sugar chain length had a major impact on their immunological properties. In particular, the penta‐ and hexasaccharides were identified as promising antigens for vaccine development.
Superconductivity in the 2‐Dimensional Homologous Series AMmBi3Q5+m (m=1, 2) (A=Rb, Cs; M=Pb, Sn; Q=Se, Te)
Authors: Malliakas Christos D. , Chung Duck Young , Claus Helmut , Kanatzidis Mercouri G. 
Published: March 2018

AbstractSuperconductivity in the two‐dimensional AMmBi3Q5+m family of semimetals is reported. The AMBi3Te6 (m=1) and AM2Bi3Te7 (m=2) members of the homologous series with A=Rb, Cs and M=Pb, Sn undergo a bulk superconducting transition ranging from 2.7 to 1.4 K depending on the composition. The estimated superconducting volume fraction is about 90 %. Superconducting phase diagrams as a function of chemical pressure are constructed for the solid solution products of each member of the homologous series, AMBi3−xSbxTe6−ySey and AM2Bi3−xSbxTe7−ySey (0≤x≤3 or 0≤y≤2). The structural flexibility of the ternary AMmM′3Te5+m semiconducting homology to form isostructural analogues with a variety of metals, M=Pb, Sn; M′=Bi, Sb, gives access to a large number of electronic configurations and superconductivity due to chemical pressure effects.
Enantioselective behaviour of tetraconazole during strawberry wine‐making process
Authors: Liu Na , Pan Xinglu , Zhang Shuang , Ji Mingshan , Zhang Zhihong 
Published: March 2018

AbstractThe fate of tetraconazole enantiomers in strawberries during wine‐making process was studied. The residues were determined by ultra‐performance convergence chromatography tandem triple quadrupole mass spectrometry after each process steps. Results indicated that there was significant enantioselective dissipation of tetraconazole enantiomers during the fermentation process. And (−)‐tetraconazole degraded faster than (+)‐tetraconazole. The half‐lives of (−)‐tetraconazole and (+)‐tetraconazole were 3.12, 3.76 days with washing procedure and 3.18, 4.05 days without washing procedure. The processing factors of strawberry wine samples after each step were generally less than 1. In particular, the processing factors of the fermentation process were the lowest. The results could help facilitate more accurate risk assessments of tetraconazole during wine‐making process.
DR3TBDTT Based Ternary Blends Containing Conjugated Polymers: Crystallization Determines Morphology and Performance
Authors: Yin Jingping , Zhou Weihua , Ai Qingyun , Meng Xiangchuan , Liu Siqi , Yu Zoukangning , Zeng Jianrong , Chen Yiwang 
Published: March 2018

AbstractHow the conjugated polymers affect the crystallization of DR3TBDTT, in addition to the corresponding morphology and performance, is not well understood. In this work, the weakly crystalline polymer PTB7‐Th and highly crystalline polymers of PCDTBT and P3HT were incorporated into DR3TBDTT:PC71BM system to investigate the variation of crystallization, morphology and performance. It is demonstrated that PTB7‐Th is the most effective additive to improve the PCE value of DR3TBDTT:PC71BM to 5.7%, showing the nucleating agent reducing the crystallization correlation length (CCL) value of DR3TBDTT from 18.7 nm to 17.0 nm, in addition to the optimized morphology. In contrast, the PCDTBT and P3HT could induce the crystallization of DR3TBDTT, leading to much higher CCL value as well as obvious phase separation. Despite of energy level alignment, the crystallization of DR3TBDTT influenced by polymers determines the corresponding morphology of active layers and photovoltaic performance.
Impact of socioeconomic status on survival for patients with anal cancer
Authors: Lin Daniel , Gold Heather T. , Schreiber David , Leichman Lawrence P. , Sherman Scott E. , Becker Daniel J. 
Published: March 2018

BACKGROUNDAlthough outcomes for patients with squamous cell carcinoma of the anus (SCCA) have improved, the gains in benefit may not be shared uniformly among patients of disparate socioeconomic status. In the current study, the authors investigated whether area‐based median household income (MHI) is predictive of survival among patients with SCCA.METHODSPatients diagnosed with SCCA from 2004 through 2013 in the Surveillance, Epidemiology, and End Results registry were included. Socioeconomic status was defined by census‐tract MHI level and divided into quintiles. Multivariable Cox proportional hazards models and logistic regression were used to study predictors of survival and radiotherapy receipt.RESULTSA total of 9550 cases of SCCA were included. The median age of the patients was 58 years, 63% were female, 85% were white, and 38% were married. In multivariable analyses, patients living in areas with lower MHI were found to have worse overall survival and cancer‐specific survival (CSS) compared with those in the highest income areas. Mortality hazard ratios for lowest to highest income were 1.32 (95% confidence interval [95% CI], 1.18‐1.49), 1.31 (95% CI, 1.16‐1.48), 1.19 (95% CI, 1.06‐1.34), and 1.16 (95% CI, 1.03‐1.30). The hazard ratios for CSS similarly ranged from 1.34 to 1.22 for lowest to highest income. Older age, black race, male sex, unmarried marital status, an earlier year of diagnosis, higher tumor grade, and later American Joint Committee on Cancer stage of disease also were associated with worse CSS. Income was not found to be associated with the odds of initiating radiotherapy in multivariable analysis (odds ratio of 0.87 for lowest to highest income level; 95% CI, 0.63‐1.20).CONCLUSIONSMHI appears to independently predict CSS and overall survival in patients with SCCA. Black race was found to remain a predictor of SCCA survival despite controlling for income. Further study is needed to understand the mechanisms by which socioeconomic inequalities affect cancer care and outcomes. Cancer 2018;124:1791‐7. © 2018 American Cancer Society