bluuebunny/crossref_metadata_2025 huggingface dataset:
Tin Compensation for the SnS Based Optoelectronic Devices
Authors: Wang S. F. , Wang W. , Fong W. K. , Yu Y. , Surya C.
Published: January 2017

In this paper we report the growth of high quality SnS thin films with good crystallinity deposited on two-dimensional (2D) mica substrates. It is believed that the 2D nature of SnS, with strong intra-layer covalent bonds and weak inter-layer van der Waals interactions, is responsible for its relative insensitivity to lattice mismatch. We also investigated the reduction of Sn vacancies in the material using Sn-compensation technique during the material growth process. The experimental results clearly demonstrated substantial enhancements in the electrical and structural properties for films deposited using Sn-compensation technique. A mobility of 51 cm2 V−1 s−1 and an XRD rocking curve full width at half maximum of 0.07° were obtained. Sn-compensated SnS/GaN:Si heterojunctions were fabricated and significant improvement in both the I-V characteristics and the spectral responsivities of the devices were characterized.
Plasmonic bio-sensing for the Fenna-Matthews-Olson complex
Authors: Chen Guang-Yin , Lambert Neill , Shih Yen-An , Liu Meng-Han , Chen Yueh-Nan , Nori Franco
Published: January 2017

We study theoretically the bio-sensing capabilities of metal nanowire surface plasmons. As a specific example, we couple the nanowire to specific sites (bacteriochlorophyll) of the Fenna-Matthews-Olson (FMO) photosynthetic pigment protein complex. In this hybrid system, we find that when certain sites of the FMO complex are subject to either the suppression of inter-site transitions or are entirely disconnected from the complex, the resulting variations in the excitation transfer rates through the complex can be monitored through the corresponding changes in the scattering spectra of the incident nanowire surface plasmons. We also find that these changes can be further enhanced by changing the ratio of plasmon-site couplings. The change of the Fano lineshape in the scattering spectra further reveals that “site 5” in the FMO complex plays a distinct role from other sites. Our results provide a feasible way, using single photons, to detect mutation-induced, or bleaching-induced, local defects or modifications of the FMO complex, and allows access to both the local and global properties of the excitation transfer in such systems.
Loss-tolerant measurement-device-independent quantum private queries
Authors: Zhao Liang-Yuan , Yin Zhen-Qiang , Chen Wei , Qian Yong-Jun , Zhang Chun-Mei , Guo Guang-Can , Han Zheng-Fu
Published: January 2017

Quantum private queries (QPQ) is an important cryptography protocol aiming to protect both the user’s and database’s privacy when the database is queried privately. Recently, a variety of practical QPQ protocols based on quantum key distribution (QKD) have been proposed. However, for QKD-based QPQ the user’s imperfect detectors can be subjected to some detector- side-channel attacks launched by the dishonest owner of the database. Here, we present a simple example that shows how the detector-blinding attack can damage the security of QKD-based QPQ completely. To remove all the known and unknown detector side channels, we propose a solution of measurement-device-independent QPQ (MDI-QPQ) with single- photon sources. The security of the proposed protocol has been analyzed under some typical attacks. Moreover, we prove that its security is completely loss independent. The results show that practical QPQ will remain the same degree of privacy as before even with seriously uncharacterized detectors.
Positive association between physical activity and PER3 expression in older adults
Authors: Takahashi Masaki , Haraguchi Atsushi , Tahara Yu , Aoki Natsumi , Fukazawa Mayuko , Tanisawa Kumpei , Ito Tomoko , Nakaoka Takashi , Higuchi Mitsuru , Shibata Shigenobu
Published: January 2017

The circadian clock regulates many physiological functions including physical activity and feeding patterns. In addition, scheduled exercise and feeding themselves can affect the circadian clock. The purpose of the present study was to investigate the relationship between physical/feeding activity and expression of clock genes in hair follicle cells in older adults. Twenty adult men (age, 68 ± 7 years, mean ± SE) were examined in this cross-sectional study. Prior to hair follicle cell collection, the participants were asked to wear a uniaxial accelerometer for one week. The timings of breakfast, lunch, and dinner were also recorded. Hair follicle cells were then collected over a 24 h period at 4 h intervals. The amplitude of PER3 expression was positively correlated with moderate and vigorous physical activity (r = 0.582, p = 0.007) and peak oxygen uptake (r = 0.481, p = 0.032), but these correlations were not observed for NR1D1 or NR1D2. No association was noted between meal times and the amplitude or the acrophase for any of these three clock genes. These findings suggest that rhythmic expression of the circadian clock gene PER3 is associated with the amount of daily physical activity and physical fitness in older adults.
High-Quality Metal–Organic Framework ZIF-8 Membrane Supported on Electrodeposited ZnO/2-methylimidazole Nanocomposite: Efficient Adsorbent for the Enrichment of Acidic Drugs
Authors: Wu Mian , Ye Huili , Zhao Faqiong , Zeng Baizhao
Published: January 2017

Metal–organic framework (MOF) membranes have received increasing attention as adsorbents, yet the defects in most membrane structures greatly thwart their capacity performance. In this work, we fabricated a novel ZnO/2-methylimidazole nanocomposite with multiple morphology by electrochemical method. The nanocomposite provided sufficient and strong anchorages for the zeolitic imidazolate frameworks-8 (ZIF-8) membrane. Thus, a crack-free and uniform MOF membrane with high performance was successfully obtained. In this case, 2-methylimidazole was believed to react with ZnO to form uniform ZIF nuclei, which induced and guided the growth of ZIF-8 membrane. The as-prepared ZIF-8 membrane had large surface area and good thermal stability. As expected, it displayed high adsorption capacity for acidic drugs (e.g., ibuprofen, ketoprofen and acetylsalicylic acid) as they could interact through hydrophobic, hydrogen bonding and π-π stacking interaction. Accordingly, by coupling with gas chromatography the ZIF-8 membrane was successfully applied to the real-time dynamic monitoring of ibuprofen in patient’s urine.
Enhancement effect of mass imbalance on Fulde-Ferrell-Larkin-Ovchinnikov type of pairing in Fermi-Fermi mixtures of ultracold quantum gases
Authors: Wang Jibiao , Che Yanming , Zhang Leifeng , Chen Qijin
Published: January 2017

Ultracold two-component Fermi gases with a tunable population imbalance have provided an excellent opportunity for studying the exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) states, which have been of great interest in condensed matter physics. However, the FFLO states have not been observed experimentally in Fermi gases in three dimensions (3D), possibly due to their small phase space volume and extremely low temperature required for an equal-mass Fermi gas. Here we explore possible effects of mass imbalance, mainly in a 6Li–40K mixture, on the one-plane-wave FFLO phases for a 3D homogeneous case at the mean-field level. We present various phase diagrams related to the FFLO states at both zero and finite temperatures, throughout the BCS-BEC crossover, and show that a large mass ratio may enhance substantially FFLO type of pairing.
Nitrogen-doped Carbon Derived from ZIF-8 as a High-performance Metal-free Catalyst for Acetylene Hydrochlorination
Authors: Chao Songlin , Zou Fang , Wan Fanfan , Dong Xiaobin , Wang Yanlin , Wang Yuxuan , Guan Qingxin , Wang Guichang , Li Wei
Published: January 2017

Acetylene hydrochlorination is a major industrial technology for manufacturing vinyl chloride monomer in regions with abundant coal resources; however, it is plagued by the use of mercury(II) chloride catalyst. The development of a nonmercury catalyst has been extensively explored. Herein, we report a N-doped carbon catalyst derived from ZIF-8 with both high activity and quite good stability. The acetylene conversion reached 92% and decreased slightly during a 200 h test at 220 °C and atmospheric pressure. Experimental studies and theoretical calculations indicate that C atoms adjacent to the pyridinic N are the active sites, and coke deposition covering pyridinic N is the main reason for catalyst deactivation. The performance of those N-doped carbons makes it possible for practical applications with further effort. Furthermore, the result also provides guidance for designing metal-free catalysts for similar reactions.
Continuous fabrication of nanostructure arrays for flexible surface enhanced Raman scattering substrate
Authors: Zhang Chengpeng , Yi Peiyun , Peng Linfa , Lai Xinmin , Chen Jie , Huang Meizhen , Ni Jun
Published: January 2017

Surface-enhanced Raman spectroscopy (SERS) has been a powerful tool for applications including single molecule detection, analytical chemistry, electrochemistry, medical diagnostics and bio-sensing. Especially, flexible SERS substrates are highly desirable for daily-life applications, such as real-time and in situ Raman detection of chemical and biological targets, which can be used onto irregular surfaces. However, it is still a major challenge to fabricate the flexible SERS substrate on large-area substrates using a facile and cost-effective technique. The roll-to-roll ultraviolet nanoimprint lithography (R2R UV-NIL) technique provides a solution for the continuous fabrication of flexible SERS substrate due to its high-speed, large-area, high-resolution and high-throughput. In this paper, we presented a facile and cost-effective method to fabricate flexible SERS substrate including the fabrication of polymer nanostructure arrays and the metallization of the polymer nanostructure arrays. The polymer nanostructure arrays were obtained by using R2R UV-NIL technique and anodic aluminum oxide (AAO) mold. The functional SERS substrates were then obtained with Au sputtering on the surface of the polymer nanostructure arrays. The obtained SERS substrates exhibit excellent SERS and flexibility performance. This research can provide a beneficial direction for the continuous production of the flexible SERS substrates.
Transgenerational epimutations induced by multi-generation drought imposition mediate rice plant’s adaptation to drought condition
Authors: Zheng Xiaoguo , Chen Liang , Xia Hui , Wei Haibin , Lou Qiaojun , Li Mingshou , Li Tiemei , Luo Lijun
Published: January 2017

Epigenetic mechanisms are crucial mediators of appropriate plant reactions to adverse environments, but their involvement in long-term adaptation is less clear. Here, we established two rice epimutation accumulation lines by applying drought conditions to 11 successive generations of two rice varieties. We took advantage of recent technical advances to examine the role of DNA methylation variations on rice adaptation to drought stress. We found that multi-generational drought improved the drought adaptability of offspring in upland fields. At single-base resolution, we discovered non-random appearance of drought-induced epimutations. Moreover, we found that a high proportion of drought-induced epimutations maintained their altered DNA methylation status in advanced generations. In addition, genes related to transgenerational epimutations directly participated in stress-responsive pathways. Analysis based on a cluster of drought-responsive genes revealed that their DNA methylation patterns were affected by multi-generational drought. These results suggested that epigenetic mechanisms play important roles in rice adaptations to upland growth conditions. Epigenetic variations have morphological, physiological and ecological consequences and are heritable across generations, suggesting that epigenetics can be considered an important regulatory mechanism in plant long-term adaptation and evolution under adverse environments.
Direct coupling: a possible strategy to control fruit production in alternate bearing
Authors: Prasad Awadhesh , Sakai Kenshi , Hoshino Yoshinobu
Published: January 2017

We investigated the theoretical possibility of applying phenomenon of synchronization of coupled nonlinear oscillators to control alternate bearing in citrus. The alternate bearing of fruit crops is a phenomenon in which a year of heavy yield is followed by an extremely light one. This phenomenon has been modeled previously by the resource budget model, which describes a typical nonlinear oscillator of the tent map type. We have demonstrated how direct coupling, which could be practically realized through grafting, contributes to the nonlinear dynamics of alternate bearing, especially phase synchronization. Our results show enhancement of out-of-phase synchronization in production, which depends on initial conditions obtained under the given system parameters. Based on these numerical experiments, we propose a new method to control alternate bearing, say in citrus, thereby enabling stable fruit production. The feasibility of validating the current results through field experimentation is also discussed.
Cerebrospinal fluid lens-free microscopy: a new tool for the laboratory diagnosis of meningitis
Authors: Delacroix Robin , Morel Sophie Nhu An , Hervé Lionel , Bordy Thomas , Dinten Jean-Marc , Drancourt Michel , Allier Cédric
Published: January 2017

Cerebrospinal fluid cytology is performed by operator-dependant light microscopy as part of the routine laboratory work-flow diagnosis of meningitis. We evaluated operator-independent lens-free microscopy numeration of erythrocytes and leukocytes for the cytological diagnosis of meningitis. In a first step, prospective optical microscopy counts of leukocytes done by five different operators yielded an overall 16.7% misclassification of 72 cerebrospinal fluid specimens in meningitis/non-meningitis categories using a 10 leukocyte/μL cut-off. In a second step, the lens-free microscopy algorithm adapted for counting cerebrospinal fluid cells and discriminating leukocytes from erythrocytes was modified step-by-step in the prospective analysis of 215 cerebrospinal fluid specimens. The definite algorithm yielded a 100% sensitivity and a 86% specificity compared to confirmed diagnostics. In a third step, a blind lens-free microscopic analysis of 116 cerebrospinal fluid specimens, including six cases of microbiology-confirmed infectious meningitis, yielded a 100% sensitivity and a 79% specificity. Adapted lens-free microscopy is thus emerging as an operator-independent technique for the rapid numeration of leukocytes and erythrocytes in cerebrospinal fluid. In particular, this technique is well suited to the rapid diagnosis of meningitis at point-of-care laboratories.
Transforming growth factor β-activated kinase 1 transcriptionally suppresses hepatitis B virus replication
Authors: Pang Jinke , Zhang Geng , Lin Yong , Xie Zhanglian , Liu Hongyan , Tang Libo , Lu Mengji , Yan Ran , Guo Haitao , Sun Jian , Hou Jinlin , Zhang Xiaoyong
Published: January 2017

Hepatitis B Virus (HBV) replication in hepatocytes is restricted by the host innate immune system and related intracellular signaling pathways. Transforming growth factor β-activated kinase 1 (TAK1) is a key mediator of toll-like receptors and pro-inflammatory cytokine signaling pathways. Here, we report that silencing or inhibition of endogenous TAK1 in hepatoma cell lines leads to an upregulation of HBV replication, transcription, and antigen expression. In contrast, overexpression of TAK1 significantly suppresses HBV replication, while an enzymatically inactive form of TAK1 exerts no effect. By screening TAK1-associated signaling pathways with inhibitors and siRNAs, we found that the MAPK-JNK pathway was involved in TAK1-mediated HBV suppression. Moreover, TAK1 knockdown or JNK pathway inhibition induced the expression of farnesoid X receptor α, a transcription factor that upregulates HBV transcription. Finally, ectopic expression of TAK1 in a HBV hydrodynamic injection mouse model resulted in lower levels of HBV DNA and antigens in both liver and serum. In conclusion, our data suggest that TAK1 inhibits HBV primarily at viral transcription level through activation of MAPK-JNK pathway, thus TAK1 represents an intrinsic host restriction factor for HBV replication in hepatocytes.
Parametric Study of Amorphous High-Entropy Alloys formation from two New Perspectives: Atomic Radius Modification and Crystalline Structure of Alloying Elements
Authors: Hu Q. , Guo S. , Wang J.M. , Yan Y.H. , Chen S.S. , Lu D.P. , Liu K.M. , Zou J.Z. , Zeng X.R.
Published: January 2017

Chemical and topological parameters have been widely used for predicting the phase selection in high-entropy alloys (HEAs). Nevertheless, previous studies could be faulted due to the small number of available data points, the negligence of kinetic effects, and the insensitivity to small compositional changes. Here in this work, 92 TiZrHfM, TiZrHfMM, TiZrHfMMM (M = Fe, Cr, V, Nb, Al, Ag, Cu, Ni) HEAs were prepared by melt spinning, to build a reliable and sufficiently large material database to inspect the robustness of previously established parameters. Modification of atomic radii by considering the change of local electronic environment in alloys, was critically found out to be superior in distinguishing the formation of amorphous and crystalline alloys, when compared to using atomic radii of pure elements in topological parameters. Moreover, crystal structures of alloying element were found to play an important role in the amorphous phase formation, which was then attributed to how alloying hexagonal-close-packed elements and face-centered-cubic or body-centered-cubic elements can affect the mixing enthalpy. Findings from this work not only provide parametric studies for HEAs with new and important perspectives, but also reveal possibly a hidden connection among some important concepts in various fields.
Model fit versus biological relevance: Evaluating photosynthesis-temperature models for three tropical seagrass species
Authors: Adams Matthew P. , Collier Catherine J. , Uthicke Sven , Ow Yan X. , Langlois Lucas , O’Brien Katherine R.
Published: January 2017

When several models can describe a biological process, the equation that best fits the data is typically considered the best. However, models are most useful when they also possess biologically-meaningful parameters. In particular, model parameters should be stable, physically interpretable, and transferable to other contexts, e.g. for direct indication of system state, or usage in other model types. As an example of implementing these recommended requirements for model parameters, we evaluated twelve published empirical models for temperature-dependent tropical seagrass photosynthesis, based on two criteria: (1) goodness of fit, and (2) how easily biologically-meaningful parameters can be obtained. All models were formulated in terms of parameters characterising the thermal optimum (Topt) for maximum photosynthetic rate (Pmax). These parameters indicate the upper thermal limits of seagrass photosynthetic capacity, and hence can be used to assess the vulnerability of seagrass to temperature change. Our study exemplifies an approach to model selection which optimises the usefulness of empirical models for both modellers and ecologists alike.
Self-steering partially coherent beams
Authors: Chen Yahong , Ponomarenko Sergey A. , Cai Yangjian
Published: January 2017

We introduce a class of shape-invariant partially coherent beams with a moving guiding center which we term self-steering partially coherent beams. The guiding center of each such beam evolves along a straight line trajectory which can be engineered to make any angle with the x-axis. We show that the straight line trajectory of the guiding center is the only option in free space due to the linear momentum conservation. We experimentally generate a particular subclass of new beams, self-steering Gaussian Schell beams and argue that they can find applications for mobile target tracing and trapped micro- and/or nanoparticle transport.
Mechanisms of Yersinia YopO kinase substrate specificity
Authors: Lee Wei Lin , Singaravelu Pavithra , Wee Sheena , Xue Bo , Ang Khay Chun , Gunaratne Jayantha , Grimes Jonathan M. , Swaminathan Kunchithapadam , Robinson Robert C.
Published: January 2017

Yersiniabacteria cause a range of human diseases, including yersiniosis, Far East scarlet-like fever and the plague.Yersiniaemodulate and evade host immune defences through injection ofYersiniaouter proteins (Yops) into phagocytic cells. One of the Yops, YopO (also known as YpkA) obstructs phagocytosis through disrupting actin filament regulation processes - inhibiting polymerization-promoting signaling through sequestration of Rac/Rho family GTPases and by using monomeric actin as bait to recruit and phosphorylate host actin-regulating proteins. Here we set out to identify mechanisms of specificity in protein phosphorylation by YopO that would clarify its effects on cytoskeleton disruption. We report the MgADP structure ofYersinia enterocoliticaYopO in complex with actin, which reveals its active site architecture. Using a proteome-wide kinase-interacting substrate screening (KISS) method, we identified that YopO phosphorylates a wide range of actin-modulating proteins and located their phosphorylation sites by mass spectrometry. Using artificial substrates we clarified YopO’s substrate length requirements and its phosphorylation consensus sequence. These findings provide fresh insight into the mechanism of the YopO kinase and demonstrate that YopO executes a specific strategy targeting actin-modulating proteins, across multiple functionalities, to compete for control of their native phospho-signaling, thus hampering the cytoskeletal processes required for macrophage phagocytosis.
The larvicide pyriproxyfen blamed during the Zika virus outbreak does not cause microcephaly in zebrafish embryos
Authors: Dzieciolowska Stefania , Larroque Anne-Laure , Kranjec Elizabeth-Ann , Drapeau Pierre , Samarut Eric
Published: January 2017

Although the zika virus (ZIKV) has now been strongly correlated with emerging cases of microcephaly in the Americas, suspicions have been raised regarding the use of pyriproxyfen, a larvicide that prevents mosquito development, in drinking water. The effects of this compound on neurodevelopment have not yet been addressed specifically in vertebrates. As a result, we aimed at addressing the effects, if any, of pyriproxyfen on neurodevelopment in the zebrafish embryo as a vertebrate model. Using zebrafish transgenic lines expressing GFP in different cell populations (elavl3 in newborn neurons, gfap and nestin in neural stem cells), we focused on the analysis of whole embryonic brain volume after confocal 3D-reconstruction and the quantification of purified neural stem cells during early neurodevelopment by FACS-cell sorting from whole in vivo embryos. Interestingly, though lethal at very high doses, pyriproxyfen did not cause brain malformation nor any significant changes in the number of observed stem cells in the developing central nervous system. Our data indicate that pyriproxyfen does not affect central nervous system development in zebrafish, suggesting that this larvicide on its own, may not be correlated with the increase in microcephaly cases reported recently.
AuPt Alloy Nanostructures with Tunable Composition and Enzyme-like Activities for Colorimetric Detection of Bisulfide
Authors: He Weiwei , Han Xiangna , Jia Huimin , Cai Junhui , Zhou Yunlong , Zheng Zhi
Published: January 2017

Tuning the enzyme-like activity and studying the interaction between biologically relevant species and nano-enzymes may facilitate the applications of nanostructures in mimicking natural enzymes. In this work, AuPt alloy nanoparticles (NPs) with varying compositions were prepared through a facile method by co-reduction of Au3+ and Pt2+ in aqueous solutions. The composition could be tuned easily by adjusting the molar ratios of added Pt2+ to Au3+. It was found that both peroxidase-like and oxidase-like activity of AuPt alloy NPs were highly dependent on the alloy compositions, which thus suggesting an effective way to tailor their catalytic properties. By investigating the inhibitory effects of HS− on the enzyme-like activity of AuPt alloy NPs and natural enzyme, we have developed a method for colorimetric detection of HS− and evaluation of the inhibiting effects of inhibitors on natural and artificial enzymes. In addition, the responsive ability of this method was influenced largely by the composition: AuPt alloy NPs show much lower limit of detection for HS− than Pt NPs while Pt NPs show wider linear range than AuPt alloy NPs. This study suggests the facile way not only for synthesis of alloy nanostructures, but also for tuning their catalytic activities and for use in bioanalysis.
Neurogenetics of developmental dyslexia: from genes to behavior through brain neuroimaging and cognitive and sensorial mechanisms
Authors: Mascheretti S , De Luca A , Trezzi V , Peruzzo D , Nordio A , Marino C , Arrigoni F
Published: January 2017

Developmental dyslexia (DD) is a complex neurodevelopmental deficit characterized by impaired reading acquisition, in spite of adequate neurological and sensorial conditions, educational opportunities and normal intelligence. Despite the successful characterization of DD-susceptibility genes, we are far from understanding the molecular etiological pathways underlying the development of reading (dis)ability. By focusing mainly on clinical phenotypes, the molecular genetics approach has yielded mixed results. More optimally reduced measures of functioning, that is, intermediate phenotypes (IPs), represent a target for researching disease-associated genetic variants and for elucidating the underlying mechanisms. Imaging data provide a viable IP for complex neurobehavioral disorders and have been extensively used to investigate both morphological, structural and functional brain abnormalities in DD. Performing joint genetic and neuroimaging studies in humans is an emerging strategy to link DD-candidate genes to the brain structure and function. A limited number of studies has already pursued the imaging–genetics integration in DD. However, the results are still not sufficient to unravel the complexity of the reading circuit due to heterogeneous study design and data processing. Here, we propose an interdisciplinary, multilevel, imaging–genetic approach to disentangle the pathways from genes to behavior. As the presence of putative functional genetic variants has been provided and as genetic associations with specific cognitive/sensorial mechanisms have been reported, new hypothesis-driven imaging–genetic studies must gain momentum. This approach would lead to the optimization of diagnostic criteria and to the early identification of ‘biologically at-risk’ children, supporting the definition of adequate and well-timed prevention strategies and the implementation of novel, specific remediation approach.
Metabolic stability of cells for extended metabolomical measurements using NMR. A comparison between lysed and additionally heat inactivated cells
Authors: Diserens G. , Hertig D. , Vermathen M. , Legeza B. , Flück C. E. , Nuoffer J.M. , Vermathen P.
Published: January 2017

For extended HR-MAS NMR measurements, cell lysis in combination with heat inactivation minimizes metabolite concentration modifications over the measurement time.
Mid-infrared fiber-optic evanescent field spectroscopy for in situ monitoring of tetrahydrofuran hydrate formation and dissociation
Authors: Schwenk M. , Katzir A. , Mizaikoff B.
Published: January 2017

Mid-infrared fiber-optic evanescent field spectroscopy (MIR-FEFS) has been applied as an in situ monitoring technique for THF containing clathrate hydrates.
An in situ poly(carboxybetaine) hydrogel for tissue engineering applications
Authors: Chien Hsiu-Wen , Yu Jiashing , Li Shing Tak , Chen Hsin-Yu , Tsai Wei-Bor
Published: January 2017

Hydrogels provide three-dimensional (3D) frames with tissue-like elasticity and high water content for tissue scaffolds.
One-pot synthesis of quaternary carbon centered cyclobutanes via Pd(ii)-catalyzed cascade C(sp3)–H activations
Authors: Yang Xinglin , Shan Gang , Yang Zimo , Huang Guiyi , Dong Guoqiang , Sheng Chunquan , Rao Yu
Published: January 2017

A novel approach toward quaternary carbon centered cyclobutanes through Pd(ii)-catalyzed sequential intramolecular methylene C–H alkylation and intermolecular methine C–H bond arylation, alkenylation, alkylation, alkynylation, allylation, benzylation or alkoxylation is described.
A computational mechanistic investigation into the reduction of Pt(iv) prodrugs with two axial chlorides by biological reductants
Authors: Ejehi Zeinab , Ariafard Alireza
Published: January 2017

The reduction of the Pt(iv) prodrugs with two axial chlorido ligands by biological reductants does not always proceed via the chloride-bridge inner-sphere mechanism.
A one-pot synthesis of [1,2,3]triazolo[1,5-a]quinoxalines from 1-azido-2-isocyanoarenes with high bond-forming efficiency
Authors: Li Dengke , Mao Tingting , Huang Jinbo , Zhu Qiang
Published: January 2017

An efficient approach to prepare 1,2,3-triazolo[1,5-a]quinoxaline scaffolds, starting from 1-azido-2-isocyanoarenes and terminal acetylenes or substituted acetaldehydes, has been developed.
Janus structured Pt–FeNC nanoparticles as a catalyst for the oxygen reduction reaction
Authors: Kuttiyiel Kurian A. , Sasaki Kotaro , Park Gu-Gon , Vukmirovic Miomir B. , Wu Lijun , Zhu Yimei , Chen Jingguang G. , Adzic Radoslav R.
Published: January 2017

Stable Janus structured Pt–FeNC nanoparticles as an ORR catalyst.
Bis(amidinate) ligands in early lanthanide chemistry – synthesis, structures, and hydroamination catalysis
Authors: Kazeminejad Neda , Munzel Denise , Gamer Michael T. , Roesky Peter W.
Published: January 2017

Bis(amidinate) ligands attached to rigid dibenzofuran and phenanthrene backbones have been introduced into lanthanide chemistry for the first time.
Integration of multiple active sites on large-pore mesoporous silica for enantioselective tandem reactions
Authors: Xia Xuelin , Meng Jingjing , Wu Hanxin , Cheng Tanyu , Liu Guohua
Published: January 2017

A Au/Ru-bifunctionalized heterogeneous catalyst exhibited high catalytic performance in enantioselective tandem hydration-asymmetric transfer hydrogenation of haloalkynes to chiral halohydrins.
Quantitative hole collection for photoelectrochemical water oxidation with CuWO4
Authors: Gao Yuan , Hamann Thomas W.
Published: January 2017

Quantitative hole collection via water oxidation was achieved with CuWO4; however, use of H2O2 as a hole scavenger gives rise to current multiplication and misleadingly low values.
Ligand-assisted mechanochemical synthesis of ceria-based catalysts for the selective catalytic reduction of NO by NH3
Authors: Yan J. F. , Qiu W. G. , Song L. Y. , Chen Y. , Su Y. C. , Bai G. M. , Zhang G. Z. , He H.
Published: January 2017

A ligand-assisted ball milling method was used to prepare the CeO2/TiO2 catalyst for the NH3-SCR reaction.
In situ generation and reactions of p-(trifluoromethyl)benzyl electrophiles: an efficient access to p-(trifluoromethyl)benzyl compounds
Authors: Dong Jinhuan , Xin Shuang , Wang Yanqing , Pan Ling , Liu Qun
Published: January 2017

A new three-component reaction, namely condensation–anti-Michael addition–aromatization, enabling the construction of benzylic compounds is disclosed.
A ratiometric fluorescent chemosensor for selective and visual detection of phosgene in solutions and in the gas phase
Authors: Wang Shao-Lin , Zhong Lin , Song Qin-Hua
Published: January 2017

A ratiometric fluorescent chemosensor, Phos-1, capable of discriminating between phosgene and triphosgene, was constructed for selective and visual detection of phosgene.
Temperature responsive lipid liquid crystal layers with embedded nanogels
Authors: Dabkowska A. P. , Hirst C. , Valldeperas M. , Clifton L. A. , Montis C. , Nöjd S. , Gentile L. , Wang M. , Pálsson G. K. , Lages S. , Berti D. , Barauskas J. , Nylander T.
Published: January 2017

Polymer nanogels are embedded within layers consisting of a nonlamellar liquid crystalline lipid phase to act as thermoresponsive controllers of layer compactness and hydration.
Palladium(ii)-catalyzed direct O-alkenylation of 2-arylquinazolinones with N-tosylhydrazones: an efficient route to O-alkenylquinazolines
Authors: Lingayya Rajaka , Vellakkaran Mari , Nagaiah Kommu , Tadikamalla Prabhakar Rao , Nanubolu Jagadeesh Babu
Published: January 2017

An efficient Pd(ii)-catalyzed direct O-alkenylation of 2-arylquinazolinones with simple ketone-derived N-tosylhydrazones is reported.
Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole
Authors: Wang Mo , Zhang Xiao , Ling Zheng , Zhang Zhenfeng , Zhang Wanbin
Published: January 2017

A direct enantioselective C-acylation of benzofuranones was developed using a chiral bicyclic imidazole catalyst and an achiral tertiary amine additive.
Inner salt-shaped small molecular photosensitizer with extremely enhanced two-photon absorption for mitochondrial-targeted photodynamic therapy
Authors: Hu Wenbo , He Tingchao , Jiang Rongcui , Yin Jun , Li Lin , Lu Xiaomei , Zhao Hui , Zhang Lei , Huang Ling , Sun Handong , Huang Wei , Fan Quli
Published: January 2017

An inner salt-shaped small-molecular photosensitizer with unprecedentedly strong two-photon absorption was developed for highly efficient two-photon photodynamic therapyviaa mitochondrial apoptosis pathway.
An enyne cycloisomerization/[5+1] reaction sequence to synthesize tetrahydroisoquinolinones from enyne-enes and CO
Authors: Zhuang Zhe , Li Chen-Long , Xiang Yu , Wang Yu-Hao , Yu Zhi-Xiang
Published: January 2017

An enyne cycloisomerization/[5+1] reaction sequence was developed to synthesize tetrahydroisoquinolinones from linear enyne-enes and CO.
Ascorbate as a pro-oxidant: mild N-terminal modification with vinylboronic acids
Authors: Ohata Jun , Ball Zachary T.
Published: January 2017

The common biocompatible reductant, sodium ascorbate, serves as a “pro-oxidant,” facilitating N-terminal modification with vinylboronic acids in air, with divergent chemoselectivity from copper-catalyzed reactions.
Correction: The macroscopic wettable surface: fabricated by calix[4]arene-based host–guest interaction and chiral discrimination of glucose
Authors: Sun Yue , Mei Yuxiao , Quan Jiaxin , Xiao Xuan , Zhang Lin , Tian Demei , Li Haibing
Published: January 2017

Correction for ‘The macroscopic wettable surface: fabricated by calix[4]arene-based host–guest interaction and chiral discrimination of glucose’ by Yue Sun et al., Chem. Commun., 2016, 52, 14416–14418.
Low intensity, continuous wave photodoping of ZnO quantum dots – photon energy and particle size effects
Authors: Aguirre Matías E. , Municoy S. , Grela M. A. , Colussi A. J.
Published: January 2017

Ethylene glycol capped quantum dots (1.7 < r (nm) < 2.7) are photocharged with electron densities that depend sigmoidally on the excess energy, E*, reaching at E* = 0.5 eV.
Prototypical iron(ii) complex with 4-amino-1,2,4-triazole reinvestigated: an unexpected impact of water on spin transition
Authors: Bushuev Mark B. , Pishchur Denis P. , Korolkov Ilya V. , Vinogradova Katerina A.
Published: January 2017

Variations in the outerspheric water molecule content induce drastic and unpredictable changes in the spin crossover regimes.
Structural and magneto-electronic properties and electric field-mediated effects for transition metal-terminated zigzag h-BN nanoribbons
Authors: Liu J. , Zhang Z. H. , Yuan P. F. , Fan Z. Q.
Published: January 2017

Transition metal terminated zigzag boron nitride nanoribbons show very high spin polarization and are electric field-sensitive in the ferromagnetic (FM) state.
Hysteresis phenomena in perovskite solar cells: the many and varied effects of ionic accumulation
Authors: Jacobs Daniel A. , Wu Yiliang , Shen Heping , Barugkin Chog , Beck Fiona J. , White Thomas P. , Weber Klaus , Catchpole Kylie R.
Published: January 2017

A variety of unexpected characterization results exhibited by perovskite solar cells are linked to the presence of mobile ions in the active layer, as demonstrated by detailed numerical device models.
On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers
Authors: Monge-Palacios M. , Rafatijo Homayoon
Published: January 2017

We have identified a new initial reaction in hydrogen combustion with a low barrier height and thus competitive: 2O2 + H2 → 2HO2.
Structural evolution of reduced GeOx nanoparticles
Authors: McLeod John A. , Zhao Jia , Yang Linju , Liu Yi , Liu Lijia
Published: January 2017

GeOx nanoparticles are studied using soft X-ray spectroscopy, revealing the influence of preparation conditions on the structure and composition.
Selective bond breaking of CO2 in phase-locked two-color intense laser fields: laser field intensity dependence
Authors: Endo Tomoyuki , Fujise Hikaru , Kawachi Yuuna , Ishihara Ayaka , Matsuda Akitaka , Fushitani Mizuho , Kono Hirohiko , Hishikawa Akiyoshi
Published: January 2017

One of the two equivalent C–O bonds of CO2 can be selectively broken by phase-locked two-color intense laser fields.
Polaron dynamics in anisotropic Holstein–Peierls systems
Authors: Ribeiro Junior Luiz Antonio , Stafström Sven
Published: January 2017

Polaron dynamics in anisotropic organic molecular semiconductors is theoretically investigated and simulated in the framework of a semi-classical Holstein–Peierls model.
Hydrogen diffusion into the subsurfaces of model metal catalysts from first principles
Authors: Shen Xiangjian , Li Yuanjie , Liu Xianglin , Zhang Dandan , Gao Jian , Liang Tianshui
Published: January 2017

We present in detail the diffusion pathways of hydrogen on seven different open and closed model catalyst surfaces from first principles calculations.
Probing nonlinear optical coefficients in self-assembled peptide nanotubes
Authors: Khanra Soma , Ghosh Kartik , Ferreira Fabio F. , Alves Wendel A. , Punzo Francesco , Yu Ping , Guha Suchismita
Published: January 2017

Second harmonic generation polarimetry from individual self-assembled peptide nanotubes is used to obtain the ratio of the nonlinear coefficients.
Theoretical studies on FGFR isoform selectivity of FGFR1/FGFR4 inhibitors by molecular dynamics simulations and free energy calculations
Authors: Fu Weitao , Chen Lingfeng , Wang Zhe , Kang Yanting , Wu Chao , Xia Qinqin , Liu Zhiguo , Zhou Jianmin , Liang Guang , Cai Yuepiao
Published: January 2017

Revealing the FGFR isoform selectivity of FGFR1/FGFR4 inhibitorsviamolecular dynamics simulations.
Self-assembly of core–shell structures driven by low doping limit of Ti in LiCoO2: first-principles thermodynamic and experimental investigation
Authors: Kim Subeen , Choi Sungho , Lee Kanghyeon , Yang Gene Jaehyoung , Lee Sun Sook , Kim Yongseon
Published: January 2017

The structure of an LiCoO2 core and a Ti-rich shell is obtained from a simple sol–gel route.
The thermal stability of the nanograin structure in a weak solute segregation system
Authors: Tang Fawei , Song Xiaoyan , Wang Haibin , Liu Xuemei , Nie Zuoren
Published: January 2017

An integrated model was established to describe the thermal stability of the nanograin structure in a weak solute segregation system.
Evolution of magnetism by rolling up hexagonal boron nitride nanosheets tailored with superparamagnetic nanoparticles
Authors: Hwang Da Young , Choi Kyoung Hwan , Park Jeong Eon , Suh Dong Hack
Published: January 2017

The rolled-up boron nitride sheets (called nanoscrolls) demonstrated enhanced magnetization under a positive direction magnetic field in the case of magnetic susceptibility. The ZFC curve for the h-BN–Fe3O4 NP scrolls exhibited an apparent rounded maximum blocking temperature at 192 K.
Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations
Authors: Ikeshoji Tamio , Otani Minoru
Published: January 2017

First-principles molecular dynamics gave the kinetic and redox parameters of the oxygen reduction reaction in a fuel cell using a bias control scheme, and gave the current–voltage relationship.
WO3-based photocatalysts: morphology control, activity enhancement and multifunctional applications
Authors: Dong Pengyu , Hou Guihua , Xi Xinguo , Shao Rong , Dong Fan
Published: January 2017

This review focuses on the morphology control, enhancement strategies of photocatalytic activity and applications of WO3-based photocatalysts.
Charge-transfer dynamics at the dye–semiconductor interface of photocathodes for solar energy applications
Authors: Black Fiona A. , Wood Christopher J. , Ngwerume Simbarashe , Summers Gareth H. , Clark Ian P. , Towrie Michael , Camp Jason E. , Gibson Elizabeth A.
Published: January 2017

This article describes a comparison between the photophysical properties of two charge-transfer dyes adsorbed onto NiO via two different binding moieties. Transient spectroscopy measurements suggest that the structure of the anchoring group affects both the rate of charge recombination between the dye and NiO surface and the rate of dye regeneration by an iodide/triiodide redox couple. This is consistent with the performance of the dyes in p-type dye sensitised solar cells. A key finding was that the recombination rate differed in the presence of the redox couple. These results have important implications on the study of electron transfer at dye|semiconductor interfaces for solar energy applications.
Dynamic shear force microscopy of confined liquids at a gold electrode
Authors: Krämer Günther , Hausen Florian , Bennewitz Roland
Published: January 2017

The confinement of liquids in nanometer-scale gaps can lead to changes in their viscous shear properties. For liquids of polar molecules, the charge state of the confining surfaces has a significant influence on the structure in the confined liquid. Here we report on the implementation of dynamic shear force microscopy in an electrochemical cell. Lateral oscillations of the tip of an atomic force microscope were magnetically activated at a frequency of about 50 kHz. The damping of the lateral tip oscillation was recorded as a function of the tip–sample distance and of the electrode potential at the surface of a Au(100) single crystal electrode. The influence of surface charges on the shear response of the nano-confined liquids was demonstrated for the ionic liquid [EMIM][NTf2] and for aqueous Na2SO4 solution.
The online coupling of high performance liquid chromatography with atomic fluorescence spectrometry based on dielectric barrier discharge induced chemical vapor generation for the speciation of mercury
Authors: Liu Zhifu , Xing Zhi , Li Zhaoyang , Zhu Zhenli , Ke Yuqiu , Jin Lanlan , Hu Shenghong
Published: January 2017

A novel HPLC-AFS hyphenated system based on DBD plasma-CVG was proposed for the speciation of Hg2+, methylmercury and ethylmercury.
Tuneable fluidics within graphene nanogaps for water purification and energy storage
Authors: Bo Zheng , Tian Yilei , Han Zhao Jun , Wu Shenghao , Zhang Shuo , Yan Jianhua , Cen Kefa , Ostrikov Kostya (Ken)
Published: January 2017

An effective, dry-climate natural plant-inspired approach for controlled surface engineering and liquid–solid interactions within graphene-based sub-micrometer confined spaces.
Copper and silver benzoate and aryl complexes and their implications for oxidative decarboxylative coupling reactions
Authors: Baur Andreas , Bustin Katelyn A. , Aguilera Ellen , Petersen Jeffrey L. , Hoover Jessica M.
Published: January 2017

A copper(ii) benzoate complex is a viable intermediate for copper-catalyzed oxidative decarboxylative coupling reactions.
Nitrogen, sulfur and phosphorus-codoped carbon with a tunable nanostructure as an efficient electrocatalyst for the oxygen reduction reaction
Authors: Chen Kai , Hao Yajuan , Zhang Meirong , Zhou Dongying , Cao Yingjie , Wang Ying , Feng Lai
Published: January 2017

The N/S/P-codoped carbon catalysts with varied nanostructures were facilely prepared. The mesoporous carbon nanosheets exhibit the optimal catalytic activity for ORR.
Liquefaction of lignite with a Ru/C catalyst in supercritical ethanol
Authors: Miao Rongrong , Zhang Qianqiu , Shi Yuzhen , Junjie Gu Junjie Gu , Ning Ping , Guan Qingqing
Published: January 2017

Additional hydrogen is produced by the water gas shift reaction. During this process, water is converted into gaseous products.
A colorimetric and fluorescent pH probe for imaging in E. coli cells
Authors: Chao Jianbin , Song Kailun , Wang Huijuan , Li Zhiqing , Zhang Yongbin , Yin Caixia , Huo Fangjun , Wang Juanjuan , Zhang Ting
Published: January 2017

MDAKexhibited turn-off fluorescence as the pH decreased. Simultaneously, the color of the solution changed from yellow to colorless.
In situ repair of graphene defects and enhancement of its reinforcement effect in polyvinyl alcohol hydrogels
Authors: Shi Yan , Xiong Dangsheng , Li Jianliang , Wang Kun , Wang Nan
Published: January 2017

The reactive groups on the edge of graphene defects are activated at a low γ-ray irradiation dose, and the resulting PVA scission chains at the high γ-ray dose link these reactive groups to repair the graphene defects.
A comparative study of physicochemical and functional properties of silver carp myofibrillar protein glycated with glucose and maltodextrin
Authors: Liu Shulai , Zhao Peicheng , Zhang Jingjing , Xu Qiuhong , Ding Yuting , Liu Jianhua
Published: January 2017

Myofibrillar protein (Mf) from silver carp (Hypophthalmichthys molitrix) was incubated with glucose and maltodextrin for 0–96 h at 50 °C and 75% relative humidity to obtain glycoconjugates in different periods of the Maillard reaction.
Enhancement of photocurrent in an ultra-thin perovskite solar cell by Ag nanoparticles deposited at low temperature
Authors: Liu Yang , Lang Felix , Dittrich Thomas , Steigert Alexander , Fischer Christian-Herbert , Köhler Tristan , Plate Paul , Rappich Jörg , Lux-Steiner Martha Ch. , Schmid Martina
Published: January 2017

22.2% relative enhancement of photocurrent in ultra-thin perovskite solar cells by one step incorporation of plasmonic silver nanoparticles.
A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties
Authors: Li Ling , Lv Lei , Huang Ru-Dan
Published: January 2017

Six new coordination polymers have been synthesized based on terphenyl tetracarboxylates (H4L1, H4L2) and bis-pyridyl ligands (bpfp, bpe and bpmp).
Fe3O4@SiO2–MoO3H nanoparticles: a magnetically recyclable nanocatalyst system for the synthesis of 1,8-dioxo-decahydroacridine derivatives
Authors: Kiani Mahtab , Mohammadipour Mohammad
Published: January 2017

Nano Fe3O4@SiO2–MoO3H is reported as a novel, highly efficient and recyclable heterogeneous nanocatalyst for the synthesis of 1,8-dioxo-decahydroacridine derivatives.
Vanadium oxide-based photochromic composite film
Authors: Miyazaki Hidetoshi , Matsuura Takahiro , Ota Toshitaka
Published: January 2017

V2O5-based composite films were fabricated using peroxo-iso-poly vanadic acid as the filler and transparent urethane resin as the matrix, and the resulting composite films exhibited photochromic property when irradiated with ultraviolet (UV) light.
Compatibility-tuned distribution of nanoparticles in co-continuous rubber structures toward microwave absorption enhancement
Authors: Li Lefan , Zhao Pengfei , Luo Yongyue , Yu Heping , Tao Jinlong , He Dongning , Gong Wei , Li Dejun , Wang Zhifen , Peng Zheng
Published: January 2017

Carbon black incorporated natural rubber/epoxidized natural rubber composites with enhanced microwave absorption capacity have been designed by a novel approach of compatibility-tuned nanoparticles distribution in co-continuous rubber blends.
Spectroscopic markers for uranium(vi) phosphates. Part II: the use of time-resolved photoluminescence
Authors: Massuyeau F. , Perry D. L. , Kalashnyk N. , Faulques E.
Published: January 2017

3D time-resolved luminescence imaging by means of a streak camera can detect and discriminate low amounts of various uranyl mineralsviaconcomitant analysis of spectral properties and photoluminescence lifetimes.