bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrospun Polyaniline Nanofiber Networks toward High‐Performance Flexible Supercapacitors
Authors: Lu Chao , Chen Xi 
Published: September 2019

AbstractFlexible supercapacitors with merits of lightweight, flexibility, and large power density are promising energy storage candidates for portable and wearable electronic devices. Flexibility of electrode materials is critical to their performance, which can be optimized by the screening of soft materials and an effective morphology control strategy. Here, polyaniline (polyacrylonitrile (PANI)) nanofiber networks through a simple electrospinning method are reported, with superior mechanical and electrochemical properties for flexible supercapacitors. The 1D structure of nanofiber networks not only provides robust mechanical properties but also facilitates charge transport during charge–discharge dynamics. The PANI nanofiber electrode shows a tensile modulus of 89.8 MPa and break elongation of 5.89%, which exceed those of its bulk counterpart. The PANI nanofiber‐based supercapacitor exhibits a high specific capacitance of 134 F g−1 at a current density of 1 A g−1 and good rate capability under current densities ranging from 1 to 10 A g−1. It shows an excellent working stability with a capacitance retention of 85.6% even after 20 000 cycles. Moreover, the device delivers stable capacity under various flexible conditions, including bending, twisting, and elongation. It is noteworthy that the performance of the device changes negligibly after 500 bending cycles under a bending angle of 180°, displaying great potential for practical applications in flexible electronics.
Noninvasive cardiac psychophysiology as a tool for translational science with marmosets
Authors: Murphy Ashley M. , Ross Corinna N. , Bliss‐Moreau Eliza 
Published: September 2019

AbstractThe importance of marmosets for comparative and translational science has grown in recent years because of their relatively rapid development, birth cohorts of twins, family social structure, and genetic tractability. Despite this, they remain understudied in investigations of affective processes. In this methodological note, we establish the validity of using noninvasive commercially available equipment to record cardiac physiology and compute indices of autonomic nervous system activity—a major component of affective processes. Specifically, we recorded electrocardiogram and impedance cardiogram, from which we derived heart rate, respiration rate, measures of high‐frequency heart rate variability (indices of parasympathetic autonomic nervous system activity), and ventricular contractility (an index of sympathetic autonomic nervous system activity). Our methods produced physiologically plausible data, and further, animals with increased heart rates during testing were also more reactive to isolation from their social partner and presentation of novel objects, though no relationship was observed between reactivity and specific indices of parasympathetic or sympathetic nervous system activity.
Cosmic Structure Formation with Kinetic Field Theory
Authors: Bartelmann Matthias , Kozlikin Elena , Lilow Robert , Littek Carsten , Fabis Felix , Kostyuk Ivan , Viermann Celia , Heisenberg Lavinia , Konrad Sara , Geiss Daniel 
Published: September 2019

AbstractKinetic field theory (KFT) is a statistical field theory for an ensemble of classical point particles in or out of equilibrium. Its application to cosmological structure formation is reviewed. Beginning with the construction of a generating functional, it is described in detail how the theory needs to be adapted to an expanding spatial background and the homogeneous and isotropic, correlated initial conditions for cosmic structures. Based on the generating functional, three approaches are developed to nonlinear cosmic structures, which rest either on expanding an interaction operator, averaging the interaction term, or resumming perturbation terms. An analytic, parameter‐free equation for the nonlinear cosmic power spectrum is presented. It is explained how density profiles of bound structures and velocity power spectra can be derived from the theory. It is clarified how KFT relates to the BBGKY hierarchy. Kinetic field theory is then applied to fluids, reformulating KFT in terms of macroscopic quantities. The resulting resummation scheme is used to describe mixtures of gas and dark matter. Finally, it is discussed how KFT can be combined with modified theories of gravity. As an example for a noncosmological application, results are shown on the spatial correlation function of cold Rydberg atoms derived from KFT.
Volatile Organic Compound Based Probe for Induced Volatolomics of Cancers
Authors: Lange Justin , Eddhif Balkis , Tarighi Mehrad , Garandeau Théa , Péraudeau Elodie , Clarhaut Jonathan , Renoux Brigitte , Papot Sébastien , Poinot Pauline 
Published: September 2019

AbstractThe development of efficient protocols for cancer diagnosis remains highly challenging. An emerging approach relies on the detection in exhaled breath of volatile organic compounds (VOC) produced by tumours. In this context, described here is a novel strategy in which a VOC‐based probe is converted selectively in malignant tissues, by a tumour‐associated enzyme, for releasing the corresponding VOC. The latter is then detected in the exhaled breath as a tumour marker for cancer diagnosis. This approach allows the detection of several different tumours in mice, the monitoring of tumour growth and tumour response to chemotherapy. Thus, the concept of “induced volatolomics” provides a new way to explore biological processes using VOC‐based probes that could be adapted to many biomedical applications.
A Photoaffinity Displacement Assay and Probes to Study the Cyclin‐Dependent Kinase Family
Authors: Grant Emma K. , Fallon David J. , Eberl H. Christian , Fantom Ken G. M. , Zappacosta Francesca , Messenger Cassie , Tomkinson Nicholas C. O. , Bush Jacob T. 
Published: September 2019

AbstractThe CDK family plays a crucial role in the control of the cell cycle. Dysregulation and mutation of the CDKs has been implicated in cancer and the CDKs have been investigated extensively as potential therapeutic targets. Selective inhibition of specific isoforms of the CDKs is crucial to achieve therapeutic effect while minimising toxicity. We present a group of photoaffinity probes designed to bind to the family of CDKs. The site of crosslinking of the optimised probe, as well as its ability to enrich members of the CDK family from cell lysates, was investigated. In a proof of concept study, we subsequently developed a photoaffinity probe‐based competition assay to profile CDK inhibitors. We anticipate that this approach will be widely applicable to the study of small molecule binding to protein families of interest.
Biomimetic Synthesis of Meroterpenoids by Dearomatization‐Driven Polycyclization
Authors: Powers Zachary , Scharf Adam , Cheng Andrea , Yang Feng , Himmelbauer Martin , Mitsuhashi Takaaki , Barra Lena , Taniguchi Yoshimasa , Kikuchi Takashi , Fujita Makoto , Abe Ikuro , Porco John A. 
Published: September 2019

AbstractA biomimetic route to farnesyl pyrophosphate and dimethyl orsellinic acid (DMOA)‐derived meroterpenoid scaffolds has yet to be reported despite great interest from the chemistry and biomedical research communities. A concise synthetic route with the potential to access DMOA‐derived meroterpenoids is highly desirable to create a library of related compounds. Herein, we report novel dearomatization methodology followed by polyene cyclization to access DMOA‐derived meroterpenoid frameworks in six steps from commercially available starting materials. Furthermore, several farnesyl alkene substrates were used to generate structurally novel, DMOA‐derived meroterpenoid derivatives. DFT calculations combined with experimentation provided a rationale for the observed thermodynamic distribution of polycyclization products.
Molecular Pivot‐Hinge Installation to Evolve Topology in Rare‐Earth Metal–Organic Frameworks
Authors: Feng Liang , Wang Yutong , Zhang Kai , Wang Kun‐Yu , Fan Weidong , Wang Xiaokang , Powell Joshua A. , Guo Bingbing , Dai Fangna , Zhang Liangliang , Wang Rongming , Sun Daofeng , Zhou Hong‐Cai 
Published: September 2019

AbstractLinker desymmetrization has been witnessed as a powerful design strategy for the discovery of highly connected metal–organic frameworks (MOFs) with unprecedented topologies. Herein, we introduce molecular pivot‐hinge installation as a linker desymmetrization strategy to evolve the topology of highly connected rare‐earth (RE) MOFs, where a pivot group is placed in the center of a linker similar to a hinge. By tuning the composition of pivot groups and steric hindrances of the substituents on various linker rotamers, MOFs with various topologies can be obtained. The combination of L‐SO2 with C2v symmetry and 12‐connected RE9 clusters leads to the formation of a fascinating (4,12)‐c dfs new topology. Interestingly, when replacing L‐SO2 with a tetrahedra linker L‐O, the stacking behaviors of RE‐organic layers switch from an eclipsed mode to a staggered stacking mode, leading to the discovery of an intriguing hjz topology. Additionally, the combination of the RE cluster and a linker [(L‐(CH3)6)] with more bulky groups gives rise to a flu topology with a new 8‐c inorganic cluster. The diversity of these RE‐MOFs was further enhanced through post‐synthetic installation of linkers with various functional groups. Functionalization of each linker with acidic and basic units in the mesoporous RE‐based PCN‐905‐SO2 allows for efficient cascade catalytic transformation within the functionalized channels.
Establishment of Guidelines for the Control of Glycosylation Reactions and Intermediates by Quantitative Assessment of Reactivity
Authors: Chang Chun‐Wei , Wu Chia‐Hui , Lin Mei‐Huei , Liao Pin‐Hsuan , Chang Chun‐Chi , Chuang Hsiao‐Han , Lin Su‐Ching , Lam Sarah , Verma Ved Prakash , Hsu Chao‐Ping , Wang Cheng‐Chung 
Published: September 2019

AbstractStereocontrolled chemical glycosylation remains a major challenge despite vast efforts reported over many decades and so far still mainly relies on trial and error. Now it is shown that the relative reactivity value (RRV) of thioglycosides is an indicator for revealing stereoselectivities according to four types of acceptors. Mechanistic studies show that the reaction is dominated by two distinct intermediates: glycosyl triflates and glycosyl halides from N‐halosuccinimide (NXS)/TfOH. The formation of glycosyl halide is highly correlated with the production of α‐glycoside. These findings enable glycosylation reactions to be foreseen by using RRVs as an α/β‐selectivity indicator and guidelines and rules to be developed for stereocontrolled glycosylation.
Facile Exfoliation of Single‐Crystalline Copper Alkylphosphates to Single‐Layer Nanosheets and Enhanced Supercapacitance
Authors: Bhat Gulzar A. , Haldar Sattwick , Verma Sonam , Chakraborty Debanjan , Vaidhyanathan Ramanathan , Murugavel Ramaswamy 
Published: September 2019

AbstractManipulation of low‐dimensional solids through soft chemical routes is an elegant way to realize newer materials. A new family of single‐crystalline transition‐metal layered organophosphates, with about 185 000 metal phosphate layers in a single crystal, can be exfoliated to a single‐layer nanosheet by a facile and rapid solvent assisted method. This exfoliation aids the formation of high‐surface‐area pyrophosphates with enhanced supercapacitance.
Development and characterization of SSR markers for Sanguinaria canadensis based on genome skimming
Authors: Liao Renyu , Luo Yuxin , Yisilam Gulbar , Lu Ruisen , Wang Yuguo , Li Pan 
Published: September 2019

PremisePolymorphic nuclear simple sequence repeat (nSSR) markers were developed for Sanguinaria canadensis (Papaveraceae), a spring ephemeral native to eastern North America.Methods and ResultsBased on the genome skimming data of S. canadensis, a total of 240 nSSR primer pairs were designed for 80 loci from the assembled nuclear contigs. Of these primer pairs, 19 were selected for initial validation in four populations (80 individuals). All 19 loci produced heterologous amplification. The numbers of alleles per locus ranged from one to 21; the levels of observed and expected heterozygosity per locus ranged from 0.000 to 1.000 and from 0.000 to 0.847, respectively. Transferability of the loci was tested in the related species Eomecon chionantha.ConclusionsThe developed nSSR markers revealed polymorphism in the four studied populations and may contribute to investigations of the genetic diversity of S. canadensis and E. chionantha.
Does N‐Terminal Protein Acetylation Lead to Protein Degradation?
Authors: Eldeeb Mohamed A. , Fahlman Richard P. , Ragheb Mohamed A. , Esmaili Mansoore 
Published: September 2019

AbstractThe N‐end rule denotes the relationship between the identity of the amino‐terminal residue of a protein and its in vivo half‐life. Since its discovery in 1986, the N‐end rule has generally been described by a defined set of rules for determining whether an amino‐terminal residue is stabilizing or not. However, recent studies are revealing that this N‐end rule (or N‐degron concept) is less straightforward than previously appreciated. For instance, it is unveiled that N‐terminal acetylation of N‐terminal residues may create a degradation signal (Ac‐degron) that promotes the degradation of target proteins. A recent high‐throughput dissection of degrons in yeast proteins amino termini intriguingly suggested that the hydrophobicity of amino‐terminal residues—but not the N‐terminal acetylation status—may be the indispensable feature of amino‐terminal degrons. Herein, these recent advances in N‐terminal acetylation and the complexity of N‐terminal degradation signals in the context of the N‐degron pathway are analyzed.
Statistical strategies for the analysis of massive data sets
Authors: Hwang Hon , Ryan Louise 
Published: September 2019

AbstractThe advent of the big data age has changed the landscape for statisticians. Public and private organizations alike these days are interested in capturing and analyzing complex customer data in order to improve their service and drive efficiency gains. However, the large volume of data involved often means that standard statistical methods fail and new ways of thinking are needed. Although great gains can be obtained through the use of more advanced computing environments or through developing sophisticated new statistical algorithms that handle data in a more efficient way, there are also many simpler things that can be done to handle large data sets in an efficient and intuitive manner. These include the use of distributed analysis methodologies, clever subsampling, data coarsening, and clever data reductions that exploit concepts such as sufficiency. These kinds of strategies represent exciting opportunities for statisticians to remain front and center in the data science world.
Sociality deficits in serine racemase knockout mice
Authors: Matveeva Tatyana M. , Pisansky Marc T. , Young Amy , Miller Robert F. , Gewirtz Jonathan C. 
Published: September 2019

AbstractBackgroundStudies of schizophrenia have pointed to the role of glutamate in its pathophysiology. Mice lacking D‐serine show impairments in neurotransmission through NMDA receptors and display behaviors consistent with features of schizophrenia. Yet, socio‐communicative deficits, a characteristic of schizophrenia, have not been reported in serine racemase knockout mice.MethodsWe use behavioral testing (the three‐chambered social approach task, the dyadic interaction task, and the novel object recognition task) to examine socio‐communicative behaviors in these mice.ResultsSerine racemase mice show abnormal social investigation and approach behavior, and differ from wild‐type controls in the duration and number of vocalizations they emit in the presence of a conspecific. Serine racemase knockout mice were not impaired in a cognitive test (novel object recognition), although they displayed abnormal behavior in the acquisition phase of the task.ConclusionsSerine racemase knockout mice demonstrate abnormalities in socio‐communicative behaviors consistent with an impairment in sociality, a negative symptom of schizophrenia.
Severe muscle loss during radical chemoradiotherapy for non‐metastatic nasopharyngeal carcinoma predicts poor survival
Authors: Huang Xiao , Ma Jie , Li Ling , Zhu Xiao‐dong 
Published: September 2019

AbstractBackgroundSkeletal muscle loss is a novel imaging biomarker that is considered to be predictive of survival outcomes and toxicity in a variety of solid tumors. This study explored to investigate whether skeletal muscle loss after chemoradiotherapy (CRT) in nasopharyngeal carcinoma (NPC) patients can predict survival.MethodsA total of 394 non‐metastatic NPC patients were enrolled. The cross‐sectional area of the third lumbar skeletal muscle based on computed tomography (CT) scan was measured and the skeletal muscle index (SMI) was calculated. A cut‐off value suitable for the Chinese population was used to define sarcopenia, and relative changes in skeletal muscle after treatment were analyzed for the confirmation of skeletal muscle tissue loss during treatment and its impact on overall survival (OS).ResultsThe median follow‐up was 22.7 (range, 2.5‐46.4) months. One hundred and thirty patients (33.0%) were defined sarcopenia at baseline. Two hundred and forty one patients (61.2%) had posttreatment sarcopenia. The mean SMI before and after treatment was 42.8 and 38.1 cm2/m2 (P < .001), and the average SMA loss was 13.1 cm2. While sarcopenia before or after treatment was not associated with OS, severe muscle loss after CRT was an independent predictor of survival prognosis for NPC (hazard ratio 2.79, 95% confidence interval 1.47‐5.28, P = .002) when adjusted for gender and cancer stage.ConclusionsDuring CRT, patients with NPC often experience different levels of muscle loss, and severe skeletal muscle loss may shorten OS.
Structures in Tetrahydrofolate Methylation in Desulfitobacterial Glycine Betaine Metabolism at Atomic Resolution
Authors: Badmann Thomas , Groll Michael 
Published: September 2019

AbstractEnzymes orchestrating methylation between tetrahydrofolate (THF) and cobalamin (Cbl) are abundant among all domains of life. During energy production in Desulfitobacterium hafniense, MtgA catalyzes the methyl transfer from methylcobalamin (Cbl‐CH3) to THF in the catabolism of glycine betaine (GB). Despite its lack of sequence identity with known structures, we could show that MtgA forms a homodimeric complex of two TIM barrels. Atomic crystallographic insights into the interplay of MtgA with THF as well as analysis of a trapped reaction intermediate (THF‐CH3)+ reveal conformational rearrangements during the transfer reaction. Whereas residues for THF methylation are conserved, the binding mode for the THF glutamyl‐p‐aminobenzoate moiety (THF tail) is unique. Apart from snapshots of individual reaction steps of MtgA, structure‐based mutagenesis combined with enzymatic activity assays allowed a mechanistic description of the methyl transfer between Cbl‐CH3 and THF. Altogether, the THF‐tail‐binding motion observed in MtgA is unique compared to other THF methyltransferases and therefore contributes to the general understanding of THF‐mediated methyl transfer.
Development of Fluorogenic Probes for Rapid High‐Contrast Imaging of Transient Nuclear Localization of Sirtuin 3
Authors: Gao Jingchi , Hori Yuichiro , Shimomura Takashi , Bordy Mathieu , Hasserodt Jens , Kikuchi Kazuya 
Published: September 2019

AbstractProtein labeling using fluorogenic probes enables the facile visualization of proteins of interest. Herein, we report new fluorogenic probes consisting of a rationally designed coumarin ligand for the live‐cell fluorogenic labeling of the photoactive yellow protein (PYP)‐tag. On the basis of the photochemical mechanisms of coumarin and the probe–tag interactions, we introduced a hydroxy group into an environment‐sensitive coumarin ligand to modulate its spectroscopic properties and increase the labeling reaction rate. The resulting probe had a higher labeling reaction rate constant and a greater fluorescence OFF–ON ratio than any previously developed PYP‐tag labeling probe. The probe enabled the fluorogenic labeling of intracellular proteins within minutes. Furthermore, we used our probe to investigate the localization of sirtuin 3 (SIRT3), a mitochondrial deacetylase. Although the nuclear localization of SIRT3 has been controversial, this transient nuclear localization was clearly captured by the rapid, high‐contrast imaging enabled by our probe.
Versatile Host Materials for Highly‐Efficient Green, Red Phosphorescent and White Organic Light‐Emitting Diodes
Authors: Zheng Xu‐Hui , Zhao Jue‐Wen , Huang Ting‐Ting , Chen Xiang , Cao Chen , Yang Guo‐Xi , Lin Zhi‐Hong , Tong Qing‐Xiao , Tao Si‐Lu , Liu Di 
Published: September 2019

AbstractTo build up efficient host materials, two novel organic small molecules ICz‐PPI and 2ICz‐PPI were designed and synthesized, in which phenanthro[9,10‐d]imidazole (PI) is proposed as a potential luminophore with high stability, while the indolo[3,2,1‐jk]carbazole (ICz) has a high triplet energy and excellent thermal stability. Both exhibited weak intramolecular charge transfer, high decomposition temperature (Td) and high quantum yield. ICz‐PPI and 2ICz‐PPI can act as the emitting layer in non‐doped organic light‐emitting diodes (OLEDs), which achieved an external quantum efficiency (EQE) of 2.47 and 1.94 % with CIE coordinates of (0.153, 0.121) and (0.161, 0.102), respectively. In addition, the high triplet energy allows them to be used as hosts for phosphorescent OLEDs (PhOLEDs). Accordingly, high performance for green (62.5 cd A−1, 70.9 lm W−1, 17.8 %) and red (25.7 cd A−1, 26.9 lm W−1, 19.4 %) had been achieved from the ICz‐PPI‐based PhOLED. Particularly, the ICz‐PPI‐based red PhOLED showed surprisingly low roll‐off and maintained an EQE of 14.9 % at 10 000 cd m−2. Furthermore, an ICz‐PPI‐based white OLED (WOLED) exhibited warm white light (CIEx,y=(0.427, 0.468)) and high efficiencies with a CEmax of 31.8cd A−1, PEmax of 37.0lm W−1 and EQEmax of 14.4 %.
Distorted Phthalocyanines by Click Chemistry: Photoacoustic, Photothermal, and Surface‐Enhanced Resonance Raman Studies
Authors: Rizvi Waqar , Berisha Naxhije , Farley Christopher , Bhupathiraju N. V. S. Dinesh K. , Andreou Chrysafis , Khwaja Emaad , Fuentes German V. , Kircher Moritz F. , Gao Ruomei , Drain Charles Michael 
Published: September 2019

AbstractDistortion of nominally planar phthalocyanine macrocycles affects the excited state dynamics in that most of the excited‐state energy decays through internal conversion. A click‐type annulation reaction on a perfluorophthalocyanine platform appending a seven‐membered ring to the β‐positions on one or more of the isoindoles distorts the macrocycle and modulates solubility. The distorted derivative enables photoacoustic imaging, photothermal effects, and strong surface‐enhanced resonance Raman signals.
Unusual η1‐Coordinated Alkyne and Alkene Complexes
Authors: Li Longfei , Dong Mengxian , Zhu Hua‐Jie , Peng Bin , Xie Yaoming , Schaefer Henry F. 
Published: September 2019

AbstractThis mechanistic study demonstrates that an unusual η1‐coordinated alkyne complex is critical for the 1‐pentyne 1,1‐diboration reaction. The comparative studies suggest the “pull–push” antagonistic effect arising from Lewis acidity and steric congestion as the reason for the existence of η1‐coordinated alkyne complexes. Analogous η1‐coordinated alkene complexes are also predicted and seem to be promising for their application to the important olefin polymerization reaction.