bluuebunny/crossref_metadata_2025 huggingface dataset:
Exploring the dark foldable proteome by considering hydrophobic amino acids topology
Authors: Bitard-Feildel Tristan , Callebaut Isabelle
Published: January 2017

The protein universe corresponds to the set of all proteins found in all organisms. A way to explore it is by taking into account the domain content of the proteins. However, some part of sequences and many entire sequences remain un-annotated despite a converging number of domain families. The un-annotated part of the protein universe is referred to as the dark proteome and remains poorly characterized. In this study, we quantify the amount of foldable domains within the dark proteome by using the hydrophobic cluster analysis methodology. These un-annotated foldable domains were grouped using a combination of remote homology searches and domain annotations, leading to define different levels of darkness. The dark foldable domains were analyzed to understand what make them different from domains stored in databases and thus difficult to annotate. The un-annotated domains of the dark proteome universe display specific features relative to database domains: shorter length, non-canonical content and particular topology in hydrophobic residues, higher propensity for disorder, and a higher energy. These features make them hard to relate to known families. Based on these observations, we emphasize that domain annotation methodologies can still be improved to fully apprehend and decipher the molecular evolution of the protein universe.
Modulation of actin dynamics as potential macrophage subtype-targeting anti-tumour strategy
Authors: Pergola Carlo , Schubert Katrin , Pace Simona , Ziereisen Jana , Nikels Felix , Scherer Olga , Hüttel Stephan , Zahler Stefan , Vollmar Angelika M. , Weinigel Christina , Rummler Silke , Müller Rolf , Raasch Martin , Mosig Alexander , Koeberle Andreas , Werz Oliver
Published: January 2017

Tumour-associated macrophages mainly comprise immunosuppressive M2 phenotypes that promote tumour progression besides anti-tumoural M1 subsets. Selective depletion or reprogramming of M2 may represent an innovative anti-cancer strategy. The actin cytoskeleton is central for cellular homeostasis and is targeted for anti-cancer chemotherapy. Here, we show that targeting G-actin nucleation using chondramide A (ChA) predominantly depletes human M2 while promoting the tumour-suppressive M1 phenotype. ChA reduced the viability of M2, with minor effects on M1, but increased tumour necrosis factor (TNF)α release from M1. Interestingly, ChA caused rapid disruption of dynamic F-actin filaments and polymerization of G-actin, followed by reduction of cell size, binucleation and cell division, without cellular collapse. In M1, but not in M2, ChA caused marked activation of SAPK/JNK and NFκB, with slight or no effects on Akt, STAT-1/-3, ERK-1/2, and p38 MAPK, seemingly accounting for the better survival of M1 and TNFα secretion. In a microfluidically-supported human tumour biochip model, circulating ChA-treated M1 markedly reduced tumour cell viability through enhanced release of TNFα. Together, ChA may cause an anti-tumoural microenvironment by depletion of M2 and activation of M1, suggesting induction of G-actin nucleation as potential strategy to target tumour-associated macrophages in addition to neoplastic cells.
Rapid Sputum Multiplex Detection of the M. tuberculosis Complex (MTBC) and Resistance Mutations for Eight Antibiotics by Nucleotide MALDI-TOF MS
Authors: Su Kang-Yi , Yan Bo-Shiun , Chiu Hao-Chieh , Yu Chong-Jen , Chang So-Yi , Jou Ruwen , Liu Jia-Long , Hsueh Po-Ren , Yu Sung-Liang
Published: January 2017

The increasing incidence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) Mycobacterium tuberculosis (MTB) adds further urgency for rapid and multiplex molecular testing to identify the MTB complex and drug susceptibility directly from sputum for disease control. A nucleotide matrix-assisted-laser-desorption-ionization time-of-flight mass spectrometry (MALDI-TOF MS)-based assay was developed to identify MTB (MTBID panel) and 45 chromosomal mutations for resistance to eight antibiotics (MTBDR panel). We conducted a 300 case trial from outpatients to evaluate this platform. An MTBID panel specifically identified MTB with as few as 10 chromosome DNA copies. The panel was 100% consistent with an acid-fast stain and culture for MTB, nontuberculous mycobacteria, and non-mycobacteria bacteria. The MTBDR panel was validated using 20 known MDR-MTB isolates. In a 64-case double-blind clinical isolates test, the sensitivity and specificity were 83% and 100%, respectively. In a 300-case raw sputum trial, the MTB identification sensitivity in smear-negative cases using MALDI-TOF MS was better than the COBAS assay (61.9% vs. 46.6%). Importantly, the failure rate of MALDI-TOF MS was better than COBAS (11.3% vs. 26.3%). To the best of our knowledge, the test described herein is the only multiplex test that predicts resistance for up to eight antibiotics with both sensitivity and flexibility.
Critical scattering and incommensurate phase transition in antiferroelectric PbZrO3 under pressure
Authors: Burkovsky R. G. , Bronwald I. , Andronikova D. , Wehinger B. , Krisch M. , Jacobs J. , Gambetti D. , Roleder K. , Majchrowski A. , Filimonov A. V. , Rudskoy A. I. , Vakhrushev S. B. , Tagantsev A. K.
Published: January 2017

Antiferroelectric lead zirconate is the key ingredient in modern ferroelectric and piezoelectric functional solid solutions. By itself it offers opportunities in new-type non-volatile memory and energy storage applications. A highly useful and scientifically puzzling feature of this material is the competition between the ferro- and antiferroelectric phases due to their energetic proximity, which leads to a challenge in understanding of the critical phenomena driving the formation of the antiferroelectric structure. We show that application of hydrostatic pressure drastically changes the character of critical lattice dynamics and enables the soft-mode-driven incommensurate phase transition sequence in lead zirconate. In addition to the long known cubic and antiferroelectric phases we identify the new non-modulated phase serving as a bridge between the cubic and the incommensurate phases. The pressure effect on ferroelectric and incommensurate critical dynamics shows that lead zirconate is not a single-instability-driven system.
The Identification of a 1916 Irish Rebel: New Approach for Estimating Relatedness From Low Coverage Homozygous Genomes
Authors: Fernandes Daniel , Sirak Kendra , Novak Mario , Finarelli John A. , Byrne John , Connolly Edward , Carlsson Jeanette E. L. , Ferretti Edmondo , Pinhasi Ron , Carlsson Jens
Published: January 2017

Thomas Kent was an Irish rebel who was executed by British forces in the aftermath of the Easter Rising armed insurrection of 1916 and buried in a shallow grave on Cork prison’s grounds. In 2015, ninety-nine years after his death, a state funeral was offered to his living family to honor his role in the struggle for Irish independence. However, inaccuracies in record keeping did not allow the bodily remains that supposedly belonged to Kent to be identified with absolute certainty. Using a novel approach based on homozygous single nucleotide polymorphisms, we identified these remains to be those of Kent by comparing his genetic data to that of two known living relatives. As the DNA degradation found on Kent’s DNA, characteristic of ancient DNA, rendered traditional methods of relatedness estimation unusable, we forced all loci homozygous, in a process we refer to as “forced homozygote approach”. The results were confirmed using simulated data for different relatedness classes. We argue that this method provides a necessary alternative for relatedness estimations, not only in forensic analysis, but also in ancient DNA studies, where reduced amounts of genetic information can limit the application of traditional methods.
Implication of dorsostriatal D3 receptors in motivational processes: a potential target for neuropsychiatric symptoms in Parkinson’s disease
Authors: Favier Mathieu , Carcenac Carole , Drui Guillaume , Vachez Yvan , Boulet Sabrina , Savasta Marc , Carnicella Sebastien
Published: January 2017

Beyond classical motor symptoms, motivational and affective deficits are frequently observed in Parkinson’s disease (PD), dramatically impairing the quality of life of patients. Using bilateral 6-hydroxydopamine (6-OHDA) lesions of the substantia nigra pars compacta (SNc) in rats, we have been able to reproduce these neuropsychiatric/non-motor impairments. The present study describes how bilateral 6-OHDA SNc lesions affect the function of the main striatal dopaminergic (DA) receptor subtypes. Autoradiography was used to measure the levels of striatal DA receptors, and operant sucrose self-administration and neuropharmacological approaches were combined to investigate the causal implication of specific DA receptors subtypes in the motivational deficits induced by a dorsostriatal DA denervation. We found that D3 receptors (D3R) exclusively are down-regulated within the dorsal striatum of lesioned rats. We next showed that infusion of a D3R antagonist (SB-277011A) in non-lesioned animals specifically disrupts preparatory, but not consummatory behaviors. Our findings reveal an unexpected involvement of dorsostriatal D3R in motivational processes. They strongly suggest an implication of dorsostriatal D3R in the neuropsychiatric symptoms observed in PD, highlighting this receptor as a potential target for pharmacological treatment.
Discorrelated quantum states
Authors: Meyer-Scott Evan , Tiedau Johannes , Harder Georg , Shalm Lynden K. , Bartley Tim J.
Published: January 2017

The statistical properties of photons are fundamental to investigating quantum mechanical phenomena using light. In multiphoton, two-mode systems, correlations may exist between outcomes of measurements made on each mode which exhibit useful properties. Correlation in this sense can be thought of as increasing the probability of a particular outcome of a measurement on one subsystem given a measurement on a correlated subsystem. Here, we show a statistical property we call “discorrelation”, in which the probability of a particular outcome of one subsystem is reduced to zero, given a measurement on a discorrelated subsystem. We show how such a state can be constructed using readily available building blocks of quantum optics, namely coherent states, single photons, beam splitters and projective measurement. We present a variety of discorrelated states, show that they are entangled, and study their sensitivity to loss.
Whole-transcriptome sequence analysis of differentially expressed genes in Phormium tenax under drought stress
Authors: Bai Zhen-yu , Wang Tong , Wu Yin-huan , Wang Ke , Liang Qian-yu , Pan Yuan-zhi , Jiang Bei-bei , Zhang Lei , Liu Guang-li , Jia Yin , Liu Qing-lin
Published: January 2017

Phormium tenax is a kind of drought resistant garden plant with its rich and colorful leaves. To clarify the molecular mechanism of drought resistance in Phormium tenax, transcriptome was sequenced by the Illumina sequencing technology under normal and drought stress, respectively. A large number of contigs, transcripts and unigenes were obtained. Among them, only 30,814 unigenes were annotated by comparing with the protein databases. A total of 4,380 genes were differentially expressed, 2,698 of which were finally annotated under drought stress. Differentially expression analysis was also performed upon drought treatment. In KEGG pathway, the mechanism of drought resistance in Phormium tenax was explained from three aspects of metabolism and signaling of hormones, osmotic adjustment and reactive oxygen species metabolism. These results are helpful to understand the drought tolerance mechanism of Phormium tenax and will provide a precious genetic resource for drought-resistant vegetation breeding and research.
Synchronized purification and immobilization of his-tagged β-glucosidase via Fe3O4/PMG core/shell magnetic nanoparticles
Authors: Zhou Yang , Yuan Shaofei , Liu Qian , Yan Dandan , Wang Yun , Gao Li , Han Juan , Shi Haifeng
Published: January 2017

In this paper, an efficient and convenient Fe3O4/PMG/IDA-Ni2+ nanoparticles that applied to purify and immobilize his-tagged β-glucosidase was synthesized, in which, Fe3O4/PMG (poly (N, N’-methylenebisacrylamide-co-glycidyl methacrylate) core/shell microspheres were synthesized firstly using distillation-precipitation polymerization, then iminodiacetic acid (IDA) was used to open epoxy rings on the shell of microspheres to the combination of Ni2+. The gene of β-glucosidase that was from Coptotermes formosanus Shiraki was amplified, cloned into the expression vector pET28a with an N-terminal His-tag, and expressed in E.coli BL21. The nanoparticles showed the same purification efficiency as commercial nickel column which was a frequently used method in the field of purifying his-tagged proteins from crude cell lysates. The results indicated that Fe3O4/PMG/IDA-Ni2+ nanoparticles can be considered as an excellent purification material. β-glucosidase was immobilized on the surface of Fe3O4/PMG/IDA-Ni2+ to form Fe3O4/PMG/IDA-β-glucosidase by means of covalent bound with imidazolyl and Ni2+. The immobilized β-glucosidase exhibited excellent catalytic activity and stabilities compared with free β-glucosidase. In addition, immobilized β-glucosidase can be recycled for many times and retain more than 65% of the original activity. The materials display enormous potential in the aspect of purifying and immobilizing enzyme.
Poly(carboxylate ether)-based superplasticizer achieves workability retention in calcium aluminate cement
Authors: Akhlaghi Omid , Menceloglu Yusuf Ziya , Akbulut Ozge
Published: January 2017

Calcium aluminate cement (CAC) suffers from loss of workability in less than an hour (~15 minutes) after first touch of water. Current superplasticizers that are utilized to modify the viscosity of cement admixtures are designed to target ordinary Portland cement (OPC). The high affinity between these superplasticizers and cement particles were found to be detrimental in CAC systems. Utilization of a monomer that, instead, facilitates gradual adsorption of a superplasticizer provides workability retention. For the first time in literature, we report a superplasticizer that caters to the properties of CAC such as high rate of surface development and surface charge. While neat CAC was almost unworkable after 1 hour, with the addition of only 0.4% of the optimized superplasticizer, 90% fluidity retention was achieved.
On the mechanism of gas adsorption for pristine, defective and functionalized graphene
Authors: You Y. , Deng J. , Tan X. , Gorjizadeh N. , Yoshimura M. , Smith S. C. , Sahajwalla V. , Joshi R. K.
Published: January 2017

Defects are no longer deemed an adverse aspect of graphene.
Materials learning from life: concepts for active, adaptive and autonomous molecular systems
Authors: Merindol Rémi , Walther Andreas
Published: January 2017

A broad overview of functional aspects in biological and synthetic out-of-equilibrium systems.
Fe9S10-decorated N, S co-doped graphene as a new and efficient electrocatalyst for oxygen reduction and oxygen evolution reactions
Authors: Ma Xiu-Xiu , Su Yan , He Xing-Quan
Published: January 2017

An advanced Fe9S10(700)/N,S-G catalyst for the oxygen reduction and evolution reactions was prepared via the combination of solvothermal and pyrolysis procedures.
Inhibitory effects of different substituted transition metal-based krebs-type sandwich structures on human hepatocellular carcinoma cells
Authors: Wang Lu , Yu K. , Zhu J. , Zhou B. B. , Liu J. R. , Yang G. Y.
Published: January 2017

POMs induced apoptosis in HepG2 cells, which indicated sub-G1 hypodiploid cell population before the G1 phase via flow cytometry. POM3 showed the highest apoptotic rate of these POMs. This reveals the structure–function relationship of bioactive transition metal ions.
Tm(iii) complexes undergoing slow relaxation of magnetization: exchange coupling and aging effects
Authors: Amjad A. , Figuerola A. , Sorace L.
Published: January 2017

The present study focuses on the dynamic magnetic behaviour and aging effects of exchange coupled 3d–4f complexes containing the scarcely investigated non-Kramers Tm3+center, the 3d metal ions being either the low-spin Fe3+(1) or the diamagnetic Co3+(2) ion.
Sources and fate of high levels of ammonium in surface water and shallow groundwater of the Jianghan Plain, Central China
Authors: Du Yao , Ma Teng , Deng Yamin , Shen Shuai , Lu Zongjie
Published: January 2017

Ammonium is of anthropogenic, natural and mixed origin in surface water, aquifer and intermediate aquitard between them, respectively, within the Yangtze River Basin.
Identification of terpenoids from Rubus corchorifolius L. f. leaves and their anti-proliferative effects on human cancer cells
Authors: Chen Xuexiang , Gao Zili , Song Mingyue , Ouyang Wen , Wu Xian , Chen Yunjiao , Zhou Liping , William Dixon , Cai Xiaokun , Cao Yong , Zhou Shuangde , Tang Zhonghai , Xiao Hang
Published: January 2017

Two novel and four known terpenoids were isolated and identified fromRubus corchorifoliusL. f. leaves. Two exhibited strong inhibitory effects on HCT116 human colon cancer cells, causing cell cycle arrest and apoptosis.
Efficient chemoselective hydrogenation of halogenated nitrobenzenes over an easily prepared γ-Fe2O3-modified mesoporous carbon catalyst
Authors: Tian Meng , Cui Xueliang , Yuan Man , Yang Jin , Ma Jiantai , Dong Zhengping
Published: January 2017

An easily prepared cost-effective γ-Fe2O3/MC catalyst was used for the hydrogenation of halogenated nitrobenzenes with 100% selectivity for the corresponding halogenated anilines.
Elucidating the biosynthetic pathways of volatile organic compounds in Mycobacterium tuberculosis through a computational approach
Authors: Bhatter Purva , Raman Karthik , Janakiraman Vani
Published: January 2017

A first report on the biosynthetic origin ofMycobacterium tuberculosisspecific small volatile molecules.
Nonomuraea sp. ATCC 55076 harbours the largest actinomycete chromosome to date and the kistamicin biosynthetic gene cluster
Authors: Nazari Behnam , Forneris Clarissa C. , Gibson Marcus I. , Moon Kyuho , Schramma Kelsey R. , Seyedsayamdost Mohammad R.
Published: January 2017

We report the largest actinomycete genome to date, which encodes >30 secondary metabolites, including the kistamicin biosynthetic gene cluster.
Tb3+ and Eu3+ co-doped Ba6Bi9B79O138: color-tunable phosphors by utilizing the host-sensitization effect of Bi3+ and enhancement of red emission upon heating
Authors: Gao Yan , Sun Xiaorui , Feng Zhongshan , Zhu Liyue , Zhang Jing , Gao Wenliang , Zhou Xianju , Cong Rihong , Yang Tao
Published: January 2017

Color-tunable and white emissions were both achieved in Tb3+/Eu3+ co-doped Ba6Bi9B79O138 phosphors by utilizing the host-sensitization effect of Bi3+.
Recent developments in sulfur–carbon bond formation reaction involving thiosulfates
Authors: Qiao Zongjun , Jiang Xuefeng
Published: January 2017

Sulfur–carbon bond construction has gained great attention recently since sulfur-containing organic molecules serve important functions in the pharmaceutical industry, agrochemistry, food chemistry, and materials science.
Towards hydroxamic acid linked zirconium metal–organic frameworks
Authors: Pereira Carla F. , Howarth Ashlee J. , Vermeulen Nicolaas A. , Almeida Paz Filipe A. , Tomé João P. C. , Hupp Joseph T. , Farha Omar K.
Published: January 2017

Solvent assisted linker exchange (SALE) is used to incorporate hydroxamic acid linkers in UiO-66.
Development and characterization of heparin-immobilized polycaprolactone nanofibrous scaffolds for tissue engineering using gamma-irradiation
Authors: Jeong Jin-Oh , Jeong Sung In , Park Jong-Seok , Gwon Hui-Jeong , Ahn Sung-Jun , Shin Heungsoo , Lee Jae Young , Lim Youn-Mook
Published: January 2017

Polycaprolactone (PCL) has been considered a useful material for orthopedic devices and osseous implants because of its biocompatibility and bone-forming activity.
The novel and facile preparation of multilayer MoS2 crystals by a chelation-assisted sol–gel method and their electrochemical performance
Authors: Guo Xingzhong , Wang Zichen , Zhu Wenjun , Yang Hui
Published: January 2017

Multilayer molybdenum disulfide was prepared by a chelation-assisted sol–gel method with ammonium molybdate tetrahydrate, thioacetamide and diethylenetriamine pentaacetic acid (Dtpa), followed by calcination.
Wetting characteristics of underwater micro-patterned surfaces
Authors: Mitra Surjyasish , Gunda Naga Siva Kumar , Mitra Sushanta K.
Published: January 2017

Wetting phenomena of underwater systems do not always follow the classical Wenzel and Cassie–Baxter configurations.
Optimization of the window layer in large area silicon heterojunction solar cells
Authors: Zhang Yue , Yu Cao , Yang Miao , He Yongcai , Zhang Linrui , Zhang Jinyan , Xu Xixiang , Zhang Yongzhe , Song Xuemei , Yan Hui
Published: January 2017

The application of n-type amorphous silicon oxide based window layer improved spectral response in the short-wavelength region, resulting in high energy conversion efficiency in silicon heterojunction solar cells
Direct synthesis of N-sulfinyl- and N-sulfonylimines via copper/l-proline-catalyzed aerobic oxidative cascade reaction of alcohols with sulfinamides or sulfonamides
Authors: Zhang Guofu , Xu Shengjun , Xie Xiaoqiang , Ding Chengrong , Shan Shang
Published: January 2017

An efficient one-pot synthesis of N-sulfinyl- and N-sulfonylimines directly from alcohols with sulfinamides or sulfonamides.
Linear alkylbenzene sulfonate (LAS) promotes sedimentation and lipid accumulation in Scenedesmus obliquus
Authors: Peng Qiang , Zhao Miaomiao , Shen Guangzhu , Gan Xinyu , Li Ming
Published: January 2017

Linear alkylbenzene sulfonate promotes sedimentation by inducing colony formation ofScenedesmus obliquus. It also promotes lipid accumulation inS. obliquus.
Experimental investigation concerning the effect of mass transfer direction on mean drop size and holdup in a horizontal pulsed plate extraction column
Authors: Panahinia Farhad , Ghannadi-Maragheh Mohammad , Safdari Jaber , Amani Pouria , Mallah Mohammad-Hassan
Published: January 2017

A schematic diagram of the horizontal pulsed plate column has been used.
Smartphone-based fluorescence detection of bisphenol A from water samples
Authors: McCracken Katherine E. , Tat Trinny , Paz Veronica , Yoon Jeong-Yeol
Published: January 2017

Smartphone-based quantification of bisphenol A (BPA) from water samples using the first demonstration of BPA-induced fluorescence quenching of 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS).
Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines
Authors: Zhao Hong-Wu , Pang Hai-Liang , Zhao Yu-Di , Liu Yue-Yang , Zhao Li-Jiao , Chen Xiao-Qin , Song Xiu-Qing , Feng Ning-Ning , Du Juan
Published: January 2017

In the presence of sodium carbonate, the [4 + 2] cycloaddition of α-halogeno hydrazones to imines proceeded readily, and furnished 2,3,4,5-tetrahydro-1,2,4-triazines in moderate to high chemical yields.
To save half contact pads in 2D mapping of local temperatures with a thermocouple array
Authors: Han Danhong , Li Gang , Zhou Sikai , Wang Zhenhai , Yang Fan , Xu Shengyong
Published: January 2017

We have demonstrated the excellent performance of tree-like thin-film micro-thermocouple arrays, where for each array all the leads of one material shared a common contact pad. This simplified configuration may find applications in novel wearable and flexible devices.
Laser-induced growth of YVO4:Eu3+ nanoparticles from sequential flowing aqueous suspension
Authors: Wang Haohao , Lau Marcus , Sannomiya Takumi , Gökce Bilal , Barcikowski Stephan , Odawara Osamu , Wada Hiroyuki
Published: January 2017

Ligand-free lanthanide ion-doped oxide nanoparticles have critical biological applications.
Preparation of nano-sized titanium carbide particles via a vacuum carbothermal reduction approach coupled with purification under hydrogen/argon mixed gas
Authors: Xie Zhen , Deng Yi , Yang Yuanyi , Su Hua , Zhou Dali , Liu Can , Yang Weizhong
Published: January 2017

Nano-sized titanium carbide particles were successfully synthesized through a process of producing carbon coated titanium precursors, heating these precursors under vacuum conditions, and treating the products in hydrogen/argon mixed gas.
pH-Sensitive N-doped carbon dots–heparin and doxorubicin drug delivery system: preparation and anticancer research
Authors: Zhang Ming , Yuan Ping , Zhou Ninglin , Su Yutian , Shao Maoni , Chi Cheng
Published: January 2017

In this study, doxorubicin (DOX) hydrochloride as a model drug, N-doped carbon dots as a drug carrier, and heparin as an auxiliary medicine were selected to design and prepare a multi-functional drug delivery system with pH-triggered drug release.
The intriguing journey of gH625-dendrimers
Authors: Falanga A. , Lombardi L. , Tarallo R. , Franci G. , Perillo E. , Palomba L. , Galdiero M. , Pontoni D. , Fragneto G. , Weck M. , Galdiero S.
Published: January 2017

The knowledge of the mechanism used by vectors to gain access to cell interiors is key to the development of effective drug delivery tools for different pathologies.
Preparation and study of a mesoporous silica-coated Fe3O4 photothermal nanoprobe
Authors: Yin N. Q. , Wu P. , Yang T. H. , Wang M.
Published: January 2017

A mesoporous silica-coated Fe3O4 nanoprobe exhibiting a high photothermal conversion efficiency was synthesized by a facile and green approach.
Color change of alternating copolymers with phenyl vinylethylene carbonate and N-phenylmaleimide in a solution and in the solid-state, depending on their structure
Authors: Yoshida Yoshiaki , Endo Takeshi
Published: January 2017

The alternating PVEC and PMI copolymers with various composition ratios exhibited reversible color changes such as halochromism in solution and in the solid-state.
Redox-active triazatruxene-based conjugated microporous polymers for high-performance supercapacitors
Authors: Li Xiang-Chun , Zhang Yizhou , Wang Chun-Yu , Wan Yi , Lai Wen-Yong , Pang Huan , Huang Wei
Published: January 2017

A novel set of redox-active triazatruxene-based conjugated microporous polymers have been explored as efficient electrode materials for high-performance supercapacitors.
Electrochemical properties and structural evolution of O3-type layered sodium mixed transition metal oxides with trivalent nickel
Authors: Vassilaras Plousia , Kwon Deok-Hwang , Dacek Stephen T. , Shi Tan , Seo Dong-Hwa , Ceder Gerbrand , Kim Jae Chul
Published: January 2017

We demonstrate how to control the structural evolution and associated redox behavior in Na layered oxides by mixing trivalent Ni with other transition metals.
Surface functionalized atomic layer deposition of bismuth vanadate for single-phase scheelite
Authors: Lamm B. , Sarkar A. , Stefik M.
Published: January 2017

Phase pure monoclinic-scheelite bismuth vanadate was obtained by surface-functionalized atomic layer deposition (SF-ALD) and the resulting films were highly photoactive.
Mesoporous Ni–Fe oxide multi-composite hollow nanocages for efficient electrocatalytic water oxidation reactions
Authors: Kang Bong Kyun , Woo Moo Hyun , Lee Jooyoung , Song Young Hyun , Wang Zhongli , Guo Yanna , Yamauchi Yusuke , Kim Jung Ho , Lim Byungkwon , Yoon Dae Ho
Published: January 2017

The mesoporous NiO/NiFe2O4multi-composite hollow nanocage electrodes are fabricated and achieve a low overpotential (303 mV at 10 mV cm−2) and Tafel plot (58.5 mV dec−1), respectively, and excellent cycling stability (12 h) as an anode material for oxygen evolution reaction, holding great promise for water splitting.
Controllable synthesis of molybdenum-based electrocatalysts for a hydrogen evolution reaction
Authors: Guo Junpo , Wang Jie , Wu Zexing , Lei Wen , Zhu Jing , Xia Kedong , Wang Deli
Published: January 2017

Carbon sphere supported MoO2, MoC and Mo2C materials have been synthesized via a simple two-step method. Mo2C/C exhibits a superior electrocatalytic performance and stability for the HER in both acid and basic media due to its excellent crystal structure, enlarged surface area, high electronic conductivity and ultra-small particle size.
Pore modulation of metal–organic frameworks towards enhanced hydrothermal stability and acetylene uptake via incorporation of different functional brackets
Authors: Chen Di-Ming , Zhang Nan-Nan , Tian Jia-Yue , Liu Chun-Sen , Du Miao
Published: January 2017

The hydrothermal stability and acetylene adsorption of metal–organic frameworks can be greatly improved by tailoring the pores with different functional brackets, as revealed by both experimental and theoretical results.
Ultrasmall MoS2 embedded in carbon nanosheets-coated Sn/SnOx as anode material for high-rate and long life Li-ion batteries
Authors: Wang Hongqiang , Pan Qichang , Wu Qiang , Zhang Xiaohui , Huang Youguo , Lushington Andrew , Li Qingyu , Sun Xueliang
Published: January 2017

A Sn/SnOx/MoS2/C composite material with superior performance was developed as an anode for lithium-ion batteries via a facile and scalable ball-milling method using a three-dimensional (3D) self-assembly of NaCl particles as a template.
Facile synthesis of polypyrrole@metal–organic framework core–shell nanocomposites for dual-mode imaging and synergistic chemo-photothermal therapy of cancer cells
Authors: Chen Xiangjun , Zhang Manjie , Li Shengnan , Li Lu , Zhang Lingyu , Wang Tingting , Yu Min , Mou Zhongcheng , Wang Chungang
Published: January 2017

A facile route was developed to fabricate PPy@MOF for dual-mode magnetic resonance/photoacoustic imaging and synergistic chemo-photothermal therapy.
Nanoscale engineering of hybrid magnetite–carbon nanofibre materials for magnetic resonance imaging contrast agents
Authors: Metelkina Olga N. , Lodge Rhys W. , Rudakovskaya Polina G. , Gerasimov Vasiliy M. , Lucas Carlos Herreros , Grebennikov Ivan S. , Shchetinin Igor V. , Savchenko Alexander G. , Pavlovskaya Galina E. , Rance Graham A. , del Carmen Gimenez-Lopez Maria , Khlobystov Andrei N. , Majouga Alexander G.
Published: January 2017

Magnetite nanoparticle–graphitised nanofibre composites as superior magnetic resonance imaging contrast agents at ultra-high fields.
A facile route to a high-quality graphene/MoS2vertical field-effect transistor with gate-modulated photocurrent response
Authors: Farooq Khan M. , Arslan Shehzad M. , Zahir Iqbal M. , Waqas Iqbal M. , Nazir Ghazanfar , Seo Yongho , Eom Jonghwa
Published: January 2017

MoS2was directly transferred to graphene, which produced a clean interface between graphene and MoS2. A high current ON–OFF ratio of ∼106was demonstrated with a high current density of ∼105A cm−2.
Charge generation by ultra-stretchable elastomeric electrets
Authors: Ko Yee Song , Nüesch Frank A. , Opris Dorina M.
Published: January 2017

Novel piezoelectric elastomers are synthesized and their long term stability and piezoelectric properties are investigated.
Color-tunable fluorescent nanoparticles encapsulating trialkylsilyl-substituted pyrene liquids
Authors: Taki Masayasu , Azeyanagi Saki , Hayashi Kenzo , Yamaguchi Shigehiro
Published: January 2017

Fluorescent nanoparticles are prepared with fluid trialkylsilylpyrenes, which exhibit intense excimer emission and spontaneously absorb dopant dyes, enabling extensive color tuning without premixing.
Star-shaped fluorene–BODIPY oligomers: versatile donor–acceptor systems for luminescent solar concentrators
Authors: Davis Nathaniel J. L. K. , MacQueen Rowan W. , Jones Saul T. E. , Orofino-Pena Clara , Cortizo-Lacalle Diego , Taylor Rupert G. D. , Credgington Dan , Skabara Peter J. , Greenham Neil C.
Published: January 2017

Energy transfer in star-shaped donor–acceptor molecules reduces self-absorption in luminescent solar concentrators.
Template-directed synthesis of a luminescent Tb-MOF material for highly selective Fe3+ and Al3+ ion detection and VOC vapor sensing
Authors: Chen Di-Ming , Zhang Nan-Nan , Liu Chun-Sen , Du Miao
Published: January 2017

The template-directed synthesis of a novel luminescent Tb-MOF material which could serve as a multi-responsive probe for sensing Fe3+ and Al3+ ions in water, as well as p-xylene and nitrobenzene in the vapor state is presented here.
Azulene-bridged coordinated framework based quasi-molecular rectifier
Authors: Sun Sai , Zhuang Xiaodong , Wang Luxin , Zhang Bin , Ding Junjie , Zhang Fan , Chen Yu
Published: January 2017

A novel azulene-bridged coordinated framework based quasi-molecular rectifier exhibits typical and breakthrough stable rectification performance with an average rectification ratio as high as 5.7 and very good cycle stability over 300 cycles, rendering it a very promising candidate for practical applications.
Enhanced fluorescence of functionalized silica microsphere based on whispering gallery mode for nitrate ester explosives and hexogen vapour detection
Authors: Zhang Xiangtao , Zhu Defeng , Fu Yanyan , He Qingguo , Cao Huimin , Li Wei , Cheng Jiangong
Published: January 2017

A fluorescent sensing platform using a WGM microcavity for nitrate ester explosives and hexogen vapour detection by contact-free method is reported.
Correction: Nanoparticle delivery of Wnt-1 siRNA enhances photodynamic therapy by inhibiting epithelial–mesenchymal transition for oral cancer
Authors: Ma Chuan , Shi Leilei , Huang Yu , Shen Lingyue , Peng Hao , Zhu Xinyuan , Zhou Guoyu
Published: January 2017

Correction for ‘Nanoparticle delivery of Wnt-1 siRNA enhances photodynamic therapy by inhibiting epithelial–mesenchymal transition for oral cancer’ by Chuan Ma, et al., Biomater. Sci., 2017, DOI: 10.1039/c6bm00833j.
A generic and facile strategy to fabricate metal–organic framework films on TiO2 substrates for photocatalysis
Authors: Yang Huimin , Fei Honghan
Published: January 2017

We present a facile and compelling method for the fabrication of metal–organic framework (MOF) thin films on TiO2-coated conductive glass substrates. The functionalized MOF films serve as a robust and efficient catalyst for photo-oxidation of thioanisole, overcoming the defragmentation problem of MOF powders.
Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H]0/+species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H−, F−and Cl−) and their [Ru(R2PCH2CH2PR2)2(L)H]+congeners
Authors: Häller L. Jonas L. , Mas-Marzá Elena , Cybulski Mateusz K. , Sanguramath Rajashekharayya A. , Macgregor Stuart A. , Mahon Mary F. , Raynaud Christophe , Russell Christopher A. , Whittlesey Michael K.
Published: January 2017

Relativistic DFT calculations rationalise hydride NMR chemical shifts in a range of Ru complexes.
Pyridazinediones deliver potent, stable, targeted and efficacious antibody–drug conjugates (ADCs) with a controlled loading of 4 drugs per antibody
Authors: Robinson Eifion , Nunes João P. M. , Vassileva Vessela , Maruani Antoine , Nogueira João C. F. , Smith Mark E. B. , Pedley R. Barbara , Caddick Stephen , Baker James R. , Chudasama Vijay
Published: January 2017

Delivering potent, stable, targeted andin vivoefficacious antibody–drug conjugates (ADCs) using pyridazinedione functional disulfide re-bridging reagents.
EuNi5InH1.5−x(x = 0–1.5): hydrogen induced structural and magnetic transitions
Authors: Bigun Inna , Smetana Volodymyr , Mudryk Yaroslav , Hlova Ihor , Dzevenko Mariya , Havela Ladislav , Kalychak Yaroslav , Pecharsky Vitalij , Mudring Anja-Verena
Published: January 2017

Crystal and electronic structure and magnetic properties of EuNi5InH1.5.
Back Pain in Adolescent Athletes: Results of a Biomechanical Screening
Authors: Mueller Steffen , Mueller Juliane , Stoll Josefine , Cassel Michael , Hirschmüller Anja , Mayer Frank
Published: January 2017

The aim was to use a short biomechanical test battery to screen adolescent athletes with and without back pain to reveal relevant and possibly preventable deficits. 1 559 adolescent athletes (m/f 945/614; 13.2±1.6y) were included. Back pain was assessed (1–5: 1=no pain; 5=maximum pain) for dichotomous categorization into back pain (BP: pain>2, n=113), healthy (NBPAll: pain=1, n=1 213) and matched healthy (NBPmatched: pain=1, n=113) athletes. Athletes performed stability, performance (jumps) and trunk strength testing. The center of pressure displacement [mm], jump height [cm], peak force [N], contact time [ms] and peak torque of the trunk [Nm] were analyzed. Analysis showed a statistically significant influence of trunk strength on back pain (BP/NBPALL). Nevertheless, after including co-variables (anthropometrics, gender and training volume), there were no significant variables detectable any longer. ANOVA identified no group differences (BP/NBPmatched) in the outcome measurement for the biomechanical tests (p>0.05). This short biomechanical screening shows no sufficient differentiation in adolescent athletes for back pain. Therefore, age, training load and gender has greater relevance than strength deficits or postural control. This is challenging for further understanding of the complex conditions in young athletes with back pain.
Controlling metastable native point-defect populations in Cu(In,Ga)Se2 and Cu2ZnSnSe4 materials and solar cells through voltage-bias annealing
Authors: Teeter G. , Harvey S. P. , Johnston S.
Published: January 2017

This contribution describes the influence of low-temperature annealing with and without applied voltage bias on thin-film Cu2ZnSnSe4 (CZTSe), Cu(In,Ga)Se2 (CIGS), and CdS material properties and solar cell performance. To quantify the effects of cation disorder on CZTSe device performance, completed devices were annealed under open-circuit conditions at various temperatures from 110 °C to 215 °C and subsequently quenched. Measurements on these devices document systematic, reversible changes in solar-cell performance consistent with a reduction in CZTSe band tails at lower annealing temperatures. CIGS and CZTSe solar cells were also annealed at various temperatures (200 °C for CIGS and 110 °C–215 °C for CZTSe) and subsequently quenched with continuously applied voltage bias to explore the effects of non-equilibrium annealing conditions. For both absorbers, large reversible changes in device characteristics correlated with the magnitude and sign of the applied voltage bias were observed. For CZTSe devices, the voltage-bias annealing (VBA) produced reversible changes in open-circuit voltage (VOC) from 289 meV to 446 meV. For CIGS solar cells, even larger changes were observed in device performance: photovoltaic (PV) conversion efficiency of the CIGS device varied from below 3% to above 15%, with corresponding changes in CIGS hole density of about three orders of magnitude. Findings from these VBA experiments are interpreted in terms of changes to the metastable point-defect populations that control key properties in the absorber layers, and in the CdS buffer layer. Computational device modeling was performed to assess the impacts of cation disorder on the CZTSe VOC deficit, and to elucidate the effects of VBA treatments on metastable point defect populations in CZTSe, CIGS, and CdS. Results indicate that band tails impose important limitations on CZTSe device performance. Device modeling results also indicate that non-equilibrium processing conditions including the effects of voltage bias can dramatically alter point-defect-mediated opto-electronic properties of semiconductors. Implications for optimization of PV materials and connections to long-term stability of PV devices are discussed.
Chain length distributions in linear polyaddition proceeding in nano-scale small volumes without mass transfer
Authors: Szymanski R. , Sosnowski S.
Published: January 2017

Computer simulations (Monte Carlo and numerical integration of differential equations) and theoretical analysis show that the statistical nature of polyaddition, both irreversible and reversible one, affects the way the macromolecules of different lengths are distributed among the small volume nano-reactors (droplets in this study) at any reaction time. The corresponding droplet distributions in respect to the number of reacting chains as well as the chain length distributions depend, for the given reaction time, on rate constants of polyaddition kp and depolymerization kd (reversible process), and the initial conditions: monomer concentration and the number of its molecules in a droplet. As a model reaction, a simple polyaddition process (M)1+(M)1⟶⟵(M)2, (M)i+(M)j⟶⟵(M)i+j was chosen, enabling to observe both kinetic and thermodynamic (apparent equilibrium constant) effects of a small number of reactant molecules in a droplet. The average rate constant of polymerization is lower than in a macroscopic system, depending on the average number of reactant molecules in a droplet. The apparent equilibrium constants of polymerization Kij=[(M)i+j]¯/([(M)i]¯[(M)j]¯) appear to depend on oligomer/polymer sizes as well as on the initial number of monomer molecules in a droplet. The corresponding equations, enabling prediction of the equilibrium conditions, were derived. All the analyzed effects are observed not only for ideally dispersed systems, i.e. with all droplets containing initially the same number of monomer (M)1 molecules, but also when initially the numbers of monomer molecules conform the Poisson distribution, expected for dispersions of reaction mixtures.
A unified inverse scattering transformation for the local and nonlocal nonautonomous Gross-Pitaevskii equations
Authors: Zhang Yu-Juan , Zhao Dun , Ma Wen-Xiu
Published: January 2017

We present the inverse scattering transformation for a nonisospectral AKNS hierarchy in which the spectral parameter is determined by an ordinary differential equation with polynomial nonlinearity, and thus, we give a unified treatment for the local and nonlocal nonautonomous Gross-Pitaevskii equations which possess the parity-time (PT) symmetric invariance. We find that unlike the local case, the PT-symmetry of the nonlocal Gross-Pitaevskii equation allows two different choices of the symmetry relations of the eigenfunctions which guarantee two different kinds of inverse scattering solutions.
Excited-state Wigner crystals
Authors: Rogers Fergus J. M. , Loos Pierre-François
Published: January 2017

Wigner crystals (WCs) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic structure theory and condensed-matter physics. Although the (lowest-energy) ground-state WC (GSWC) has been thoroughly studied, the properties of excited-state WCs (ESWCs) are basically unknown. To bridge this gap, we present a well-defined procedure to obtain an entire family of ESWCs in a one-dimensional electron gas using a symmetry-broken mean-field approach. While the GSWC is a commensurate crystal (i.e., the number of density maxima equals the number of electrons), these ESWCs are incommensurate crystals exhibiting more or less maxima. Interestingly, they are lower in energy than the (uniform) Fermi fluid state. For some of these ESWCs, we have found asymmetrical band gaps, which would lead to anisotropic conductivity. These properties are associated with unusual characteristics in their electronic structure.
Strong coupling between Tamm plasmon polariton and two dimensional semiconductor excitons
Authors: Hu Tao , Wang Yafeng , Wu Lin , Zhang Long , Shan Yuwei , Lu Jian , Wang Jun , Luo Song , Zhang Zhe , Liao Liming , Wu Shiwei , Shen Xuechu , Chen Zhanghai
Published: January 2017

Two dimensional (2D) semiconductor materials of transition-metal dichalcogenides (TMDCs) manifest many peculiar physical phenomena in the light-matter interaction. Due to their ultrathin property, strong interaction with light and the robust excitons at room temperature, they provide a perfect platform for studying the physics of strong coupling in low dimension and at room temperature. Here we report the strong coupling between 2D semiconductor excitons and Tamm plasmon polaritons (TPPs). We observe a Rabi splitting of about 54 meV at room temperature by measuring the angle resolved differential reflectivity spectra and simulate the theoretical results by using the transfer matrix method. Our results will promote the realization of the TPP based ultrathin polariton devices at room temperature.
A low-cost, plug-and-play inertial microfluidic helical capillary device for high-throughput flow cytometry
Authors: Wang Xiao , Gao Hua , Dindic Nadja , Kaval Necati , Papautsky Ian
Published: January 2017

Glass capillary tubes have been widely used in microfluidics for generating microdroplets and microfibers. Here, we report on the application of glass capillary to inertial focusing of microparticles and cells for high-throughput flow cytometry. Our device uses a commercially available capillary tube with a square cross-section. Wrapping the tube into a helical shape induces the Dean vortices that aid focusing of cells or microbeads into a single position. We investigated the inertial focusing of microbeads in the device at various Re and concentrations and demonstrated 3D focusing with ∼100% efficiency for a wide range of microparticle diameters. We integrated the device with a laser counting system and demonstrated continuous counting of 10 μm microbeads with a high throughput of 13 000 beads/s as well as counting of fluorescently labeled white blood cells in the diluted whole blood. The helical capillary device offers a number of key advantages, including rapid and ultra-low-cost plug-and-play fabrication, optical transparency, and full compatibility with bright field or fluorescent imaging, easy re-configurability of the device radius for tuning focusing behavior, and ability to rotate for easy side-wall observation. With precise and consistent 3D focusing of microbeads and cells with a wide range of sizes at high throughput and without the use of sheath flows, we envision that this simple capillary-based inertial microfluidic device will create new opportunities for this technique to be widely adopted in the laboratory research.
Detection of an anomalous pressure on a magneto-inertial-fusion load current diagnostic
Authors: Hess M. H. , Hutsel B. T. , Jennings C. A. , VanDevender J. P. , Sefkow A. B. , Gomez M. R. , Knapp P. F. , Laity G. R. , Dolan D. H. , Lamppa D. C. , Peterson K. J. , Stygar W. A. , Sinars D. B.
Published: January 2017

Recent Magnetized Liner Inertial Fusion experiments at the Sandia National Laboratories Z pulsed power facility have featured a PDV (Photonic Doppler Velocimetry) diagnostic in the final power feed section for measuring load current. In this paper, we report on an anomalous pressure that is detected on this PDV diagnostic very early in time during the current ramp. Early time load currents that are greater than both B-dot upstream current measurements and existing Z machine circuit models by at least 1 MA would be necessary to describe the measured early time velocity of the PDV flyer. This leads us to infer that the pressure producing the early time PDV flyer motion cannot be attributed to the magnetic pressure of the load current but rather to an anomalous pressure. Using the MHD code ALEGRA, we are able to compute a time-dependent anomalous pressure function, which when added to the magnetic pressure of the load current, yields simulated flyer velocities that are in excellent agreement with the PDV measurement. We also provide plausible explanations for what could be the origin of the anomalous pressure.